#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ir5 h LYS 2 N 0.00 0.00 0.20 -1.46 1.57 -2.06 -1.12 116.57 113.70 3ir5 h LYS 2 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3ir5 h LYS 2 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3ir5 h LYS 2 CO 0.00 0.28 -0.10 0.35 -0.57 0.00 0.00 179.45 179.42 3ir5 h PHE 3 N 0.00 -0.25 0.00 -1.35 3.57 -2.08 -3.03 116.94 113.80 3ir5 h PHE 3 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3ir5 h PHE 3 Cb 0.51 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.33 3ir5 h PHE 3 CO 0.00 0.09 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.01 3ir5 h LEU 4 N -0.62 0.00 -0.95 0.59 3.38 -1.98 -2.45 115.31 113.28 3ir5 h LEU 4 Ca -0.03 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3ir5 h LEU 4 Cb 0.45 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 3ir5 h LEU 4 CO 0.05 0.09 0.62 0.44 0.09 0.00 0.00 178.44 179.72 3ir5 h ASP 5 N 0.00 1.03 -0.78 -0.43 3.45 -1.08 -2.28 116.42 116.33 3ir5 h ASP 5 Ca -0.00 -0.01 0.15 0.00 0.43 0.00 0.00 57.03 57.60 3ir5 h ASP 5 Cb 0.16 -0.23 -0.15 0.00 -0.56 0.00 0.00 39.33 38.55 3ir5 h ASP 5 CO 0.01 0.70 -0.21 0.03 -1.57 0.00 0.00 179.24 178.20 3ir5 h ARG 6 N 1.20 -0.01 0.00 3.56 3.08 -1.39 0.61 114.38 121.43 3ir5 h ARG 6 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 3ir5 h ARG 6 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3ir5 h ARG 6 CO -0.12 -0.01 0.31 0.74 -1.07 0.00 0.00 179.97 179.82 3ir5 h PHE 7 N -0.01 0.00 -0.24 3.04 -1.00 -1.55 1.51 116.94 118.69 3ir5 h PHE 7 Ca 0.37 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.15 3ir5 h PHE 7 Cb 0.57 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.13 3ir5 h PHE 7 CO -0.63 0.00 0.00 0.54 -1.61 0.00 0.00 178.31 176.61 3ir5 n ARG 8 N -2.12 1.62 -0.11 1.51 1.74 0.21 -4.46 116.66 115.06 3ir5 n ARG 8 Ca -0.01 -0.88 -0.03 0.00 -0.77 0.00 0.00 57.85 56.17 3ir5 n ARG 8 Cb 0.34 -1.24 -0.03 0.00 -1.02 0.00 0.00 32.46 30.51 3ir5 n ARG 8 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3ir5 n TYR 9 N 0.20 -0.11 -0.15 -1.55 4.19 0.52 -0.68 117.16 119.57 3ir5 n TYR 9 Ca 0.08 0.32 -0.08 0.00 3.31 0.00 0.00 57.90 61.53 3ir5 n TYR 9 Cb 0.24 -0.42 0.01 0.00 0.49 0.00 0.00 39.34 39.66 3ir5 n TYR 9 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 3ir5 h PHE 10 N 0.00 0.61 0.00 2.98 0.04 -1.83 -2.85 116.94 115.89 3ir5 h PHE 10 Ca 0.04 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3ir5 h PHE 10 Cb 0.11 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.06 3ir5 h PHE 10 CO -0.64 0.45 0.00 1.17 -0.60 0.00 0.00 178.31 178.68 3ir5 n LYS 11 N -4.71 0.17 0.00 1.51 4.81 0.14 -2.48 118.16 117.60 3ir5 n LYS 11 Ca 0.01 0.53 0.13 0.00 -0.87 0.00 0.00 58.31 58.11 3ir5 n LYS 11 Cb 0.07 -1.92 0.28 0.00 0.02 0.00 0.00 35.03 33.48 3ir5 n LYS 11 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3ir5 n GLN 12 N -2.26 1.36 -2.99 1.64 6.02 -0.19 -4.87 117.38 116.09 3ir5 n GLN 12 Ca 0.00 -0.95 -0.41 0.00 -0.01 0.00 0.00 57.00 55.63 3ir5 n GLN 12 Cb 0.14 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 29.87 3ir5 n GLN 12 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3ir5 s LYS 13 N -2.30 4.12 0.00 -1.09 1.02 -1.04 -0.31 119.74 120.14 3ir5 s LYS 13 Ca 0.27 0.73 0.00 0.00 0.02 0.00 0.00 55.97 56.99 3ir5 s LYS 13 Cb 0.19 -3.66 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 3ir5 s LYS 13 CO 0.45 -0.50 0.00 0.41 -0.92 0.00 0.00 175.35 174.80 3ir5 n GLY 14 N 3.98 1.76 3.77 -3.33 0.00 0.89 -4.95 105.19 107.32 3ir5 n GLY 14 Ca 0.03 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.89 3ir5 n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ir5 s GLU 15 N 3.64 3.48 0.56 1.61 2.02 -1.26 -4.62 118.70 124.13 3ir5 s GLU 15 Ca 0.00 1.66 -0.01 0.00 0.02 0.00 0.00 54.97 56.64 3ir5 s GLU 15 Cb 0.00 -2.13 0.03 0.00 0.10 0.00 0.00 34.13 32.13 3ir5 s GLU 15 CO 0.00 -0.76 0.81 0.95 0.02 0.00 0.00 175.26 176.28 3ir5 s THR 16 N -1.70 2.95 0.19 3.63 -4.23 -1.26 -0.97 115.64 114.25 3ir5 s THR 16 Ca 0.70 -0.50 -0.12 0.00 -1.18 0.00 0.00 61.69 60.59 3ir5 s THR 16 Cb -0.25 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.45 3ir5 s THR 16 CO 0.29 -0.11 0.38 0.72 -0.54 0.00 0.00 174.62 175.36 3ir5 s PHE 17 N -2.83 0.25 -1.39 3.99 -0.12 -0.16 -4.88 117.98 112.85 3ir5 s PHE 17 Ca 0.56 -0.61 -0.10 0.00 -0.05 0.00 0.00 56.93 56.73 3ir5 s PHE 17 Cb -0.10 0.11 0.03 0.00 -0.63 0.00 0.00 43.02 42.42 3ir5 s PHE 17 CO 0.40 -0.82 1.13 0.00 -0.05 0.00 0.00 175.22 175.88 3ir5 n ALA 18 N -0.28 -1.34 -3.60 1.99 0.00 -1.26 -1.65 120.51 114.37 3ir5 n ALA 18 Ca -0.07 0.34 -0.24 0.00 0.00 0.00 0.00 53.44 53.47 3ir5 n ALA 18 Cb 0.63 -5.15 0.04 0.00 0.00 0.00 0.00 19.45 14.97 3ir5 n ALA 18 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ir5 n ASP 19 N -2.98 -3.88 0.00 0.00 8.00 -1.26 -2.39 116.55 114.04 3ir5 n ASP 19 Ca 0.00 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.63 3ir5 n ASP 19 Cb 0.56 -4.05 0.00 0.00 -0.02 0.00 0.00 41.12 37.61 3ir5 n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ir5 n GLY 20 N -1.54 0.74 0.18 0.44 0.00 -1.17 -4.87 105.19 98.98 3ir5 n GLY 20 Ca -0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.97 3ir5 n GLY 20 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3ir5 h HIS 21 N 0.00 0.00 -4.00 1.61 6.17 -1.28 -3.47 115.15 114.18 3ir5 h HIS 21 Ca 0.00 0.00 -0.20 0.00 0.71 0.00 0.00 60.37 60.88 3ir5 h HIS 21 Cb 0.04 0.00 -0.18 0.00 2.52 0.00 0.00 27.41 29.79 3ir5 h HIS 21 CO 0.02 0.00 -0.70 0.20 0.71 0.00 0.00 177.93 178.16 3ir5 s GLY 22 N -4.15 0.49 -0.08 5.26 0.00 -0.66 -5.01 107.32 103.18 3ir5 s GLY 22 Ca 0.06 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.82 3ir5 s GLY 22 CO 0.69 -1.05 -0.09 1.62 0.00 0.00 0.00 173.10 174.27 3ir5 s GLN 23 N -2.64 1.44 -0.15 2.90 2.00 -1.26 -0.98 119.66 120.97 3ir5 s GLN 23 Ca -0.02 -0.28 -0.20 0.00 -2.00 0.00 0.00 55.36 52.86 3ir5 s GLN 23 Cb -0.02 -1.35 -0.03 0.00 0.80 0.00 0.00 33.01 32.40 3ir5 s GLN 23 CO -0.04 -0.11 0.56 -1.17 -0.50 0.00 0.00 175.29 174.03 3ir5 s LEU 24 N 1.14 4.22 0.04 3.68 2.96 -0.14 -5.00 118.68 125.58 3ir5 s LEU 24 Ca -0.06 0.86 0.06 0.00 -0.22 0.00 0.00 54.13 54.76 3ir5 s LEU 24 Cb -0.14 -2.81 -0.03 0.00 0.50 0.00 0.00 46.19 43.70 3ir5 s LEU 24 CO -0.02 -0.12 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.01 3ir5 s LEU 25 N 1.18 2.92 -0.77 -0.68 1.43 -1.26 -0.08 118.68 121.42 3ir5 s LEU 25 Ca 0.28 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 3ir5 s LEU 25 Cb -0.16 -1.70 0.25 0.00 0.03 0.00 0.00 46.19 44.61 3ir5 s LEU 25 CO 0.12 0.24 0.89 0.59 0.23 0.00 0.00 176.35 178.42 3ir5 n ASN 26 N 1.33 4.33 -4.60 2.29 3.02 0.57 -4.89 115.26 117.31 3ir5 n ASN 26 Ca -0.15 -3.39 -0.24 0.00 -0.03 0.00 0.00 54.58 50.77 3ir5 n ASN 26 Cb 0.52 -0.85 -0.09 0.00 -0.61 0.00 0.00 39.78 38.76 3ir5 n ASN 26 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3ir5 s THR 27 N -2.35 2.79 0.39 3.41 -1.32 -1.26 -4.75 115.64 112.55 3ir5 s THR 27 Ca 0.35 -2.06 -0.27 0.00 -1.21 0.00 0.00 61.69 58.51 3ir5 s THR 27 Cb 0.09 -2.70 -0.11 0.00 -1.51 0.00 0.00 72.50 68.27 3ir5 s THR 27 CO -0.01 -0.29 1.42 -3.20 -2.21 0.00 0.00 174.62 170.33 3ir5 n ASN 28 N -0.86 3.40 -0.19 8.08 2.85 -1.26 -4.94 115.26 122.34 3ir5 n ASN 28 Ca -0.05 1.19 0.03 0.00 -0.11 0.00 0.00 54.58 55.64 3ir5 n ASN 28 Cb 0.61 -1.58 0.04 0.00 1.24 0.00 0.00 39.78 40.09 3ir5 n ASN 28 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3ir5 n ARG 29 N 0.30 0.91 -0.19 1.20 1.74 -1.26 -4.85 116.66 114.51 3ir5 n ARG 29 Ca 0.03 -1.47 0.16 0.00 -0.77 0.00 0.00 57.85 55.81 3ir5 n ARG 29 Cb 0.39 -0.89 0.50 0.00 -1.02 0.00 0.00 32.46 31.44 3ir5 n ARG 29 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3ir5 h ASP 30 N 0.00 0.41 -0.58 0.55 3.32 -2.05 -1.72 116.42 116.34 3ir5 h ASP 30 Ca 0.00 0.03 0.17 0.00 0.02 0.00 0.00 57.03 57.25 3ir5 h ASP 30 Cb 1.04 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 3ir5 h ASP 30 CO 0.00 0.20 0.54 4.11 -1.72 0.00 0.00 179.24 182.37 3ir5 h TRP 31 N 0.43 0.00 0.00 4.55 5.08 -2.03 -0.24 115.95 123.74 3ir5 h TRP 31 Ca 0.40 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.37 3ir5 h TRP 31 Cb 0.94 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.10 3ir5 h TRP 31 CO -0.00 0.00 0.08 0.39 -1.28 0.00 0.00 178.44 177.63 3ir5 n GLU 32 N -3.85 0.13 0.24 0.12 1.02 -0.65 -0.98 120.64 116.67 3ir5 n GLU 32 Ca 0.11 0.62 0.09 0.00 -0.02 0.00 0.00 57.16 57.96 3ir5 n GLU 32 Cb 0.76 -2.00 0.61 0.00 -0.02 0.00 0.00 31.44 30.80 3ir5 n GLU 32 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3ir5 h ASP 33 N 0.00 0.00 -0.70 1.62 3.32 -1.26 -3.11 116.42 116.29 3ir5 h ASP 33 Ca 0.00 0.00 0.15 0.00 0.02 0.00 0.00 57.03 57.20 3ir5 h ASP 33 Cb 0.16 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.60 3ir5 h ASP 33 CO 0.00 0.17 0.12 1.23 -1.72 0.00 0.00 179.24 179.04 3ir5 h GLY 34 N 0.81 0.91 1.83 2.75 0.00 -1.29 -0.49 103.07 107.59 3ir5 h GLY 34 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 3ir5 h GLY 34 CO 0.02 -0.20 -1.09 -0.97 0.00 0.00 0.00 176.54 174.30 3ir5 h TYR 35 N 0.22 0.00 -0.55 5.60 -1.99 -1.77 -3.31 116.97 115.17 3ir5 h TYR 35 Ca 0.39 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.11 3ir5 h TYR 35 Cb 0.65 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.36 3ir5 h TYR 35 CO -0.30 0.98 0.32 0.00 -0.00 0.00 0.00 178.16 179.16 3ir5 h ARG 36 N 0.00 0.75 0.00 4.88 3.08 -1.25 -2.30 114.38 119.55 3ir5 h ARG 36 Ca -0.05 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3ir5 h ARG 36 Cb 1.79 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.69 3ir5 h ARG 36 CO 0.12 0.56 0.00 1.04 -1.07 0.00 0.00 179.97 180.62 3ir5 n GLN 37 N -4.64 0.11 0.07 0.04 6.02 -0.30 -2.10 117.38 116.57 3ir5 n GLN 37 Ca 0.03 0.33 -0.21 0.00 -0.01 0.00 0.00 57.00 57.14 3ir5 n GLN 37 Cb 0.06 -1.70 -0.15 0.00 1.02 0.00 0.00 30.24 29.48 3ir5 n GLN 37 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 3ir5 h ARG 38 N 0.00 0.35 -0.20 -1.09 9.65 -1.50 -3.32 114.38 118.27 3ir5 h ARG 38 Ca 0.00 -0.60 -0.08 0.00 -1.10 0.00 0.00 59.98 58.20 3ir5 h ARG 38 Cb 0.34 0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 29.12 3ir5 h ARG 38 CO 0.00 1.29 -0.21 2.35 2.80 0.00 0.00 179.97 186.20 3ir5 h TRP 39 N -0.26 0.38 -3.99 2.20 2.91 -1.25 -3.44 115.95 112.50 3ir5 h TRP 39 Ca -0.17 -0.07 -0.54 0.00 1.13 0.00 0.00 58.89 59.24 3ir5 h TRP 39 Cb 1.76 -0.10 0.12 0.00 -0.51 0.00 0.00 29.16 30.43 3ir5 h TRP 39 CO 0.18 0.54 0.70 -0.65 -1.03 0.00 0.00 178.44 178.18 3ir5 s GLN 40 N -4.57 3.65 0.15 2.65 -0.21 -0.89 -5.02 119.66 115.42 3ir5 s GLN 40 Ca -0.06 2.41 -0.03 0.00 0.02 0.00 0.00 55.36 57.70 3ir5 s GLN 40 Cb 0.14 -2.63 -0.03 0.00 1.00 0.00 0.00 33.01 31.49 3ir5 s GLN 40 CO 0.76 -0.85 0.13 -3.38 -2.12 0.00 0.00 175.29 169.83 3ir5 s HIS 41 N -1.21 0.77 0.05 0.91 -3.43 -1.26 -4.94 115.29 106.18 3ir5 s HIS 41 Ca 0.62 -1.12 -0.19 0.00 -0.80 0.00 0.00 55.06 53.56 3ir5 s HIS 41 Cb -0.44 -0.37 -0.14 0.00 -1.43 0.00 0.00 32.58 30.20 3ir5 s HIS 41 CO 0.56 -0.59 1.32 -0.44 -2.00 0.00 0.00 174.74 173.59 3ir5 h ASP 42 N 2.75 0.49 -5.56 7.38 3.45 -0.44 -3.49 116.42 121.00 3ir5 h ASP 42 Ca -0.34 -0.53 0.23 0.00 0.43 0.00 0.00 57.03 56.83 3ir5 h ASP 42 Cb 1.21 -0.14 -0.06 0.00 -0.56 0.00 0.00 39.33 39.79 3ir5 h ASP 42 CO 0.55 0.92 0.69 -1.59 -1.57 0.00 0.00 179.24 178.24 3ir5 s LYS 43 N -4.13 0.94 -0.03 3.56 -2.85 -1.07 -5.02 119.74 111.14 3ir5 s LYS 43 Ca -0.14 -0.59 0.03 0.00 -1.00 0.00 0.00 55.97 54.27 3ir5 s LYS 43 Cb 0.06 0.27 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 3ir5 s LYS 43 CO 0.78 -0.44 -0.10 0.42 0.10 0.00 0.00 175.35 176.11 3ir5 s ILE 44 N -2.26 0.84 0.01 3.79 1.01 -1.26 -1.80 121.20 121.53 3ir5 s ILE 44 Ca 0.22 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.55 3ir5 s ILE 44 Cb -0.01 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.69 3ir5 s ILE 44 CO 0.02 0.26 -0.19 -0.69 0.00 0.00 0.00 174.94 174.34 3ir5 s VAL 45 N 0.24 1.54 0.06 2.92 1.01 -0.32 -4.90 120.40 120.95 3ir5 s VAL 45 Ca -0.04 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 60.75 3ir5 s VAL 45 Cb -0.09 -1.30 -0.06 0.00 0.00 0.00 0.00 36.38 34.92 3ir5 s VAL 45 CO 0.01 0.33 0.72 -0.60 0.00 0.00 0.00 175.10 175.55 3ir5 s ARG 46 N -0.73 4.45 0.31 2.72 3.52 -1.26 0.05 118.95 128.00 3ir5 s ARG 46 Ca 0.07 0.99 -0.19 0.00 -0.13 0.00 0.00 55.73 56.47 3ir5 s ARG 46 Cb -0.08 -3.33 0.05 0.00 -1.56 0.00 0.00 34.95 30.03 3ir5 s ARG 46 CO 0.00 0.38 0.82 0.45 -0.81 0.00 0.00 175.30 176.15 3ir5 s SER 47 N -0.37 -0.08 0.33 -2.12 0.15 -0.95 -3.20 113.70 107.46 3ir5 s SER 47 Ca 0.36 -0.87 0.02 0.00 0.70 0.00 0.00 55.95 56.15 3ir5 s SER 47 Cb -0.20 0.74 -0.00 0.00 -1.71 0.00 0.00 66.02 64.84 3ir5 s SER 47 CO 0.22 -1.43 0.40 1.07 1.20 0.00 0.00 173.24 174.69 3ir5 n THR 48 N -0.53 0.00 -3.37 6.45 5.66 -1.20 0.56 114.28 121.85 3ir5 n THR 48 Ca -0.06 -1.92 -0.38 0.00 -3.05 0.00 0.00 64.05 58.63 3ir5 n THR 48 Cb 0.60 1.09 -0.07 0.00 -1.55 0.00 0.00 70.33 70.39 3ir5 n THR 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ir5 n GLY 50 N 3.99 4.15 3.36 0.00 0.00 -1.26 -4.82 105.19 110.61 3ir5 n GLY 50 Ca -0.08 -1.73 -0.23 0.00 0.00 0.00 0.00 46.02 43.98 3ir5 n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ir5 s VAL 51 N -1.07 1.98 -1.10 1.61 0.11 -1.26 -4.84 120.40 115.83 3ir5 s VAL 51 Ca 0.61 -1.94 -0.22 0.00 -2.93 0.00 0.00 61.98 57.50 3ir5 s VAL 51 Cb 0.33 -1.92 0.05 0.00 -1.53 0.00 0.00 36.38 33.31 3ir5 s VAL 51 CO -0.14 -0.24 1.54 0.21 -3.33 0.00 0.00 175.10 173.13 3ir5 s ASN 52 N -2.64 6.59 0.00 3.54 2.47 -1.26 -4.53 114.94 119.10 3ir5 s ASN 52 Ca 0.17 -1.73 0.00 0.00 0.42 0.00 0.00 52.86 51.71 3ir5 s ASN 52 Cb -0.07 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.16 3ir5 s ASN 52 CO 0.08 -1.42 0.00 0.00 -3.72 0.00 0.00 177.10 172.03 3ir5 n THR 54 N -0.09 0.00 0.41 0.00 -2.24 -1.26 -4.80 114.28 106.31 3ir5 n THR 54 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 3ir5 n THR 54 Cb 0.00 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 3ir5 n THR 54 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3ir5 h GLY 55 N 0.00 -1.25 -6.04 3.38 0.00 -1.94 -3.41 103.07 93.81 3ir5 h GLY 55 Ca 0.00 0.51 -0.40 0.00 0.00 0.00 0.00 47.33 47.44 3ir5 h GLY 55 CO 0.00 -0.43 -0.87 -1.26 0.00 0.00 0.00 176.54 173.98 3ir5 n SER 56 N -5.60 -3.43 -4.65 0.19 2.88 -1.26 -4.95 113.62 96.81 3ir5 n SER 56 Ca -0.14 -0.87 -0.35 0.00 -1.33 0.00 0.00 58.87 56.17 3ir5 n SER 56 Cb 0.48 -4.00 -0.09 0.00 -0.75 0.00 0.00 64.21 59.84 3ir5 n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ir5 s SER 58 N 0.58 7.23 0.33 0.00 0.15 -1.26 -4.15 113.70 116.58 3ir5 s SER 58 Ca 0.05 1.51 0.09 0.00 0.70 0.00 0.00 55.95 58.30 3ir5 s SER 58 Cb -0.12 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.60 3ir5 s SER 58 CO 0.01 -0.36 0.05 0.26 1.20 0.00 0.00 173.24 174.40 3ir5 s TRP 59 N 1.63 2.62 -0.32 3.44 0.52 0.19 -1.23 118.94 125.79 3ir5 s TRP 59 Ca 0.48 -0.39 -0.10 0.00 0.02 0.00 0.00 56.10 56.11 3ir5 s TRP 59 Cb -0.19 -1.50 -0.00 0.00 -1.15 0.00 0.00 33.47 30.62 3ir5 s TRP 59 CO 0.20 0.45 0.16 0.15 0.02 0.00 0.00 176.95 177.93 3ir5 s LYS 60 N -3.76 3.30 -0.26 4.98 1.02 0.13 -2.24 119.74 122.91 3ir5 s LYS 60 Ca 0.35 -0.75 -0.16 0.00 0.02 0.00 0.00 55.97 55.44 3ir5 s LYS 60 Cb -0.02 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.67 3ir5 s LYS 60 CO 0.21 -0.44 0.42 0.42 -0.92 0.00 0.00 175.35 175.04 3ir5 s ILE 61 N 1.61 5.14 -0.16 2.17 -1.09 0.11 -2.27 121.20 126.71 3ir5 s ILE 61 Ca 0.04 0.68 -0.18 0.00 -2.23 0.00 0.00 60.65 58.97 3ir5 s ILE 61 Cb -0.17 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 36.93 3ir5 s ILE 61 CO 0.06 0.14 0.47 -0.31 -1.23 0.00 0.00 174.94 174.07 3ir5 s TYR 62 N 2.11 3.45 -0.17 3.97 2.02 0.02 -1.17 117.35 127.57 3ir5 s TYR 62 Ca 0.17 0.80 -0.03 0.00 -0.37 0.00 0.00 57.07 57.64 3ir5 s TYR 62 Cb -0.16 -2.58 -0.02 0.00 -0.40 0.00 0.00 41.96 38.81 3ir5 s TYR 62 CO 0.10 0.06 -0.06 0.08 -1.57 0.00 0.00 175.55 174.16 3ir5 s VAL 63 N 1.04 3.55 -0.01 0.71 1.01 -0.74 -1.37 120.40 124.58 3ir5 s VAL 63 Ca 0.24 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.76 3ir5 s VAL 63 Cb -0.15 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.68 3ir5 s VAL 63 CO 0.09 0.48 -0.00 -0.75 0.00 0.00 0.00 175.10 174.92 3ir5 s LYS 64 N 0.71 0.10 -1.63 2.72 2.20 0.56 0.38 119.74 124.79 3ir5 s LYS 64 Ca -0.03 0.03 -0.01 0.00 -0.36 0.00 0.00 55.97 55.60 3ir5 s LYS 64 Cb -0.15 -0.20 0.00 0.00 -1.51 0.00 0.00 37.83 35.98 3ir5 s LYS 64 CO 0.02 -0.04 0.16 0.09 -0.36 0.00 0.00 175.35 175.22 3ir5 n ASN 65 N 3.49 -5.67 -1.27 1.43 4.13 -1.26 -1.15 115.26 114.95 3ir5 n ASN 65 Ca -0.18 -0.07 -0.15 0.00 1.68 0.00 0.00 54.58 55.86 3ir5 n ASN 65 Cb 0.56 -4.69 -0.06 0.00 -1.54 0.00 0.00 39.78 34.05 3ir5 n ASN 65 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ir5 n GLY 66 N -1.12 1.24 3.11 7.41 0.00 -1.26 -4.99 105.19 109.58 3ir5 n GLY 66 Ca -0.20 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 3ir5 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ir5 s LEU 67 N -3.65 2.34 -0.16 0.99 1.43 -0.30 -5.08 118.68 114.25 3ir5 s LEU 67 Ca 0.00 -0.71 -0.29 0.00 -1.03 0.00 0.00 54.13 52.10 3ir5 s LEU 67 Cb 0.00 -0.17 -0.01 0.00 0.03 0.00 0.00 46.19 46.04 3ir5 s LEU 67 CO 0.00 -0.28 1.18 -0.69 0.23 0.00 0.00 176.35 176.80 3ir5 s VAL 68 N -2.10 4.41 -0.14 -1.59 1.01 -1.26 -0.32 120.40 120.40 3ir5 s VAL 68 Ca -0.02 1.70 0.02 0.00 0.00 0.00 0.00 61.98 63.68 3ir5 s VAL 68 Cb -0.05 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 32.13 3ir5 s VAL 68 CO -0.01 -0.12 -0.11 0.35 0.00 0.00 0.00 175.10 175.21 3ir5 n THR 69 N 5.21 0.82 -3.85 3.92 -2.24 -0.47 -4.94 114.28 112.73 3ir5 n THR 69 Ca 0.13 -0.33 -0.05 0.00 -2.27 0.00 0.00 64.05 61.52 3ir5 n THR 69 Cb 0.46 -0.98 0.02 0.00 -2.10 0.00 0.00 70.33 67.72 3ir5 n THR 69 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3ir5 s TRP 70 N -2.29 0.06 0.02 4.78 -2.14 -1.24 -4.94 118.94 113.19 3ir5 s TRP 70 Ca -0.18 -0.54 -0.03 0.00 2.66 0.00 0.00 56.10 58.00 3ir5 s TRP 70 Cb 0.05 0.74 -0.01 0.00 -3.10 0.00 0.00 33.47 31.14 3ir5 s TRP 70 CO 0.35 -1.12 0.05 -1.83 -2.66 0.00 0.00 176.95 171.74 3ir5 s GLU 71 N -2.34 0.44 0.01 3.25 1.03 -1.26 -0.80 118.70 119.03 3ir5 s GLU 71 Ca 0.19 -0.61 -0.01 0.00 0.03 0.00 0.00 54.97 54.57 3ir5 s GLU 71 Cb -0.03 0.17 -0.01 0.00 -0.80 0.00 0.00 34.13 33.45 3ir5 s GLU 71 CO 0.07 -0.09 0.01 0.95 -1.33 0.00 0.00 175.26 174.86 3ir5 s THR 72 N -1.80 0.07 0.53 1.83 -4.23 -0.96 -4.96 115.64 106.12 3ir5 s THR 72 Ca -0.12 -0.62 -0.22 0.00 -1.18 0.00 0.00 61.69 59.55 3ir5 s THR 72 Cb -0.07 -0.22 -0.05 0.00 1.34 0.00 0.00 72.50 73.50 3ir5 s THR 72 CO -0.01 -0.34 1.36 -1.10 -0.54 0.00 0.00 174.62 173.99 3ir5 s GLN 73 N -1.02 3.24 0.45 3.99 1.11 -1.26 0.17 119.66 126.34 3ir5 s GLN 73 Ca -0.11 2.23 -0.20 0.00 0.01 0.00 0.00 55.36 57.30 3ir5 s GLN 73 Cb -0.07 -2.32 -0.10 0.00 -1.01 0.00 0.00 33.01 29.52 3ir5 s GLN 73 CO -0.00 -1.11 0.95 -0.65 0.01 0.00 0.00 175.29 174.48 3ir5 s GLN 74 N -2.84 4.14 -0.02 2.91 -1.52 -0.37 -4.66 119.66 117.31 3ir5 s GLN 74 Ca 0.70 1.05 0.02 0.00 -1.95 0.00 0.00 55.36 55.18 3ir5 s GLN 74 Cb -0.40 -2.18 0.04 0.00 -0.22 0.00 0.00 33.01 30.24 3ir5 s GLN 74 CO 0.48 -0.08 0.87 0.25 -0.25 0.00 0.00 175.29 176.55 3ir5 n THR 75 N -0.87 0.73 -0.31 -0.19 -2.24 -1.26 -4.76 114.28 105.37 3ir5 n THR 75 Ca 0.07 -0.77 -0.03 0.00 -2.27 0.00 0.00 64.05 61.04 3ir5 n THR 75 Cb 0.54 0.56 0.21 0.00 -2.10 0.00 0.00 70.33 69.54 3ir5 n THR 75 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3ir5 n ASP 76 N -0.43 3.86 -4.75 3.42 5.75 -1.26 -4.78 116.55 118.36 3ir5 n ASP 76 Ca 0.02 -2.77 -0.39 0.00 -0.01 0.00 0.00 54.79 51.64 3ir5 n ASP 76 Cb 0.41 -0.66 0.04 0.00 -1.03 0.00 0.00 41.12 39.88 3ir5 n ASP 76 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3ir5 s TYR 77 N -2.14 2.27 0.14 2.11 1.51 -1.26 -4.70 117.35 115.27 3ir5 s TYR 77 Ca 0.36 1.35 -0.32 0.00 -1.01 0.00 0.00 57.07 57.46 3ir5 s TYR 77 Cb 0.29 -3.84 -0.11 0.00 -0.11 0.00 0.00 41.96 38.19 3ir5 s TYR 77 CO 0.09 -2.98 1.80 -2.30 -1.11 0.00 0.00 175.55 171.05 3ir5 n PRO 78 N -0.98 2.76 -1.98 -1.71 -0.02 -1.26 -4.90 135.00 126.91 3ir5 n PRO 78 Ca 0.10 1.00 -0.37 0.00 -2.02 0.00 0.00 63.50 62.21 3ir5 n PRO 78 Cb 0.44 -2.88 0.03 0.00 -0.02 0.00 0.00 33.50 31.07 3ir5 n PRO 78 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3ir5 s ARG 79 N 2.29 3.25 0.85 -0.52 0.52 -1.26 -4.90 118.95 119.18 3ir5 s ARG 79 Ca 0.80 1.98 -0.12 0.00 -0.52 0.00 0.00 55.73 57.88 3ir5 s ARG 79 Cb -0.50 -2.19 0.13 0.00 0.52 0.00 0.00 34.95 32.92 3ir5 s ARG 79 CO 0.36 -1.03 1.20 0.95 0.02 0.00 0.00 175.30 176.80 3ir5 s THR 80 N -1.46 2.06 0.83 0.02 -4.23 -1.26 -5.01 115.64 106.59 3ir5 s THR 80 Ca 0.71 -0.11 -0.16 0.00 -1.18 0.00 0.00 61.69 60.96 3ir5 s THR 80 Cb -0.34 -2.95 -0.07 0.00 1.34 0.00 0.00 72.50 70.48 3ir5 s THR 80 CO 0.40 0.00 0.03 0.54 -0.54 0.00 0.00 174.62 175.05 3ir5 n ARG 81 N -3.40 0.03 0.28 3.99 1.74 -1.26 -4.83 116.66 113.20 3ir5 n ARG 81 Ca 0.12 0.04 0.14 0.00 -0.77 0.00 0.00 57.85 57.38 3ir5 n ARG 81 Cb 0.60 -1.49 0.83 0.00 -1.02 0.00 0.00 32.46 31.38 3ir5 n ARG 81 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3ir5 h PRO 82 N -0.80 0.00 -0.61 5.56 0.11 -1.96 -2.48 132.00 131.83 3ir5 h PRO 82 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3ir5 h PRO 82 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3ir5 h PRO 82 CO 0.35 0.06 0.00 -0.40 -0.21 0.00 0.00 178.00 177.80 3ir5 n ASP 83 N -3.68 3.25 -4.08 -2.05 5.75 -1.26 -4.87 116.55 109.62 3ir5 n ASP 83 Ca -0.02 -2.30 -0.17 0.00 -0.01 0.00 0.00 54.79 52.28 3ir5 n ASP 83 Cb 0.17 -0.47 -0.13 0.00 -1.03 0.00 0.00 41.12 39.66 3ir5 n ASP 83 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3ir5 s LEU 84 N -1.37 2.15 0.71 -2.12 1.43 -0.93 -5.07 118.68 113.47 3ir5 s LEU 84 Ca 0.33 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 3ir5 s LEU 84 Cb 0.21 -0.43 0.02 0.00 0.03 0.00 0.00 46.19 46.03 3ir5 s LEU 84 CO 0.15 -0.01 1.07 -2.16 0.23 0.00 0.00 176.35 175.64 3ir5 s PRO 85 N -0.98 2.72 0.69 1.29 0.04 -1.26 -4.70 135.00 132.80 3ir5 s PRO 85 Ca -0.01 1.07 -0.04 0.00 0.04 0.00 0.00 61.00 62.06 3ir5 s PRO 85 Cb -0.07 -1.96 0.08 0.00 0.04 0.00 0.00 34.50 32.60 3ir5 s PRO 85 CO 0.01 -1.28 0.98 -0.80 0.04 0.00 0.00 177.00 175.94 3ir5 s ASN 86 N -3.52 4.65 0.07 6.66 0.01 -1.26 -4.73 114.94 116.82 3ir5 s ASN 86 Ca 0.60 0.11 -0.01 0.00 -0.71 0.00 0.00 52.86 52.85 3ir5 s ASN 86 Cb -0.16 -0.69 -0.27 0.00 0.41 0.00 0.00 41.25 40.55 3ir5 s ASN 86 CO 0.53 -1.66 1.13 0.45 -1.51 0.00 0.00 177.10 176.05 3ir5 h HIS 87 N -0.51 0.36 -3.05 2.20 3.86 -1.94 -3.47 115.15 112.61 3ir5 h HIS 87 Ca -0.42 -0.27 -0.58 0.00 -1.16 0.00 0.00 60.37 57.94 3ir5 h HIS 87 Cb 1.29 -0.01 0.14 0.00 1.06 0.00 0.00 27.41 29.89 3ir5 h HIS 87 CO 0.07 1.22 0.01 -0.85 0.86 0.00 0.00 177.93 179.24 3ir5 n GLU 88 N -3.47 1.06 0.00 2.45 -0.00 -1.26 -2.60 120.64 116.82 3ir5 n GLU 88 Ca -0.08 0.39 0.12 0.00 -0.00 0.00 0.00 57.16 57.59 3ir5 n GLU 88 Cb 1.01 -1.95 0.15 0.00 -0.00 0.00 0.00 31.44 30.65 3ir5 n GLU 88 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 3ir5 n PRO 89 N -0.04 0.60 0.00 3.44 -0.04 -1.26 -5.12 135.00 132.58 3ir5 n PRO 89 Ca 0.11 -0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.14 3ir5 n PRO 89 Cb 0.42 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 3ir5 n PRO 89 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ir5 n ARG 90 N -0.83 0.00 0.00 0.54 1.74 -1.07 -4.55 116.66 112.49 3ir5 n ARG 90 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3ir5 n ARG 90 Cb 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.81 3ir5 n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ir5 n GLY 91 N 0.00 -1.04 3.83 -0.13 0.00 -1.26 -4.88 105.19 101.70 3ir5 n GLY 91 Ca 0.00 -1.64 -0.05 0.00 0.00 0.00 0.00 46.02 44.33 3ir5 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ir5 h PRO 93 N 2.00 0.70 0.32 0.00 0.13 -1.99 -2.28 132.00 130.88 3ir5 h PRO 93 Ca -0.27 -0.24 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 3ir5 h PRO 93 Cb 1.23 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3ir5 h PRO 93 CO 0.34 0.82 -0.15 0.00 -0.23 0.00 0.00 178.00 178.78 3ir5 h ARG 94 N 0.63 -0.41 -0.90 0.86 -0.00 -1.96 -2.76 114.38 109.84 3ir5 h ARG 94 Ca 0.10 0.03 0.12 0.00 -0.50 0.00 0.00 59.98 59.73 3ir5 h ARG 94 Cb 0.63 0.09 -0.07 0.00 0.00 0.00 0.00 29.97 30.62 3ir5 h ARG 94 CO 0.04 -0.20 0.58 0.78 0.00 0.00 0.00 179.97 181.17 3ir5 h GLY 95 N -0.54 1.27 2.00 0.04 0.00 -1.95 -0.22 103.07 103.67 3ir5 h GLY 95 Ca -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3ir5 h GLY 95 CO 0.07 0.14 0.00 0.00 0.00 0.00 0.00 176.54 176.75 3ir5 h ALA 96 N 1.58 1.00 -0.09 3.60 0.00 -1.17 -2.90 119.26 121.28 3ir5 h ALA 96 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3ir5 h ALA 96 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3ir5 h ALA 96 CO -0.20 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.92 3ir5 n SER 97 N -2.85 2.94 -0.22 0.00 3.41 -0.10 -4.57 113.62 112.23 3ir5 n SER 97 Ca 0.00 -1.93 0.01 0.00 -0.26 0.00 0.00 58.87 56.70 3ir5 n SER 97 Cb 0.23 -0.04 0.26 0.00 -0.26 0.00 0.00 64.21 64.39 3ir5 n SER 97 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3ir5 h TYR 98 N 4.31 0.93 -1.19 7.33 3.20 -1.40 -2.26 116.97 127.90 3ir5 h TYR 98 Ca 0.00 0.02 0.35 0.00 3.14 0.00 0.00 58.73 62.24 3ir5 h TYR 98 Cb 0.93 -0.31 -0.05 0.00 1.54 0.00 0.00 36.73 38.83 3ir5 h TYR 98 CO 0.04 0.57 0.88 0.66 -1.64 0.00 0.00 178.16 178.68 3ir5 h SER 99 N 0.99 0.00 -0.97 -2.11 4.64 -1.82 -0.97 113.55 113.31 3ir5 h SER 99 Ca 0.29 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.76 3ir5 h SER 99 Cb -0.05 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 61.95 3ir5 h SER 99 CO -0.07 0.00 0.61 -0.25 -0.87 0.00 0.00 176.83 176.25 3ir5 h TRP 100 N 0.00 1.01 -0.44 4.77 7.01 -1.76 -2.99 115.95 123.56 3ir5 h TRP 100 Ca 0.57 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.57 3ir5 h TRP 100 Cb 2.33 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 29.05 3ir5 h TRP 100 CO 0.00 0.34 0.18 1.88 -2.79 0.00 0.00 178.44 178.05 3ir5 h TYR 101 N 0.83 0.61 -0.79 2.65 0.99 -1.38 -3.08 116.97 116.80 3ir5 h TYR 101 Ca 0.51 -0.02 0.19 0.00 2.00 0.00 0.00 58.73 61.40 3ir5 h TYR 101 Cb 0.70 -0.19 -0.13 0.00 1.00 0.00 0.00 36.73 38.10 3ir5 h TYR 101 CO -0.00 0.48 0.06 -0.07 -0.00 0.00 0.00 178.16 178.62 3ir5 h LEU 102 N 0.62 -0.27 -2.43 3.88 4.07 -1.71 -3.11 115.31 116.36 3ir5 h LEU 102 Ca 0.15 0.20 0.00 0.00 0.08 0.00 0.00 57.88 58.31 3ir5 h LEU 102 Cb 0.11 0.33 0.00 0.00 1.08 0.00 0.00 40.66 42.18 3ir5 h LEU 102 CO -0.02 -0.17 -0.01 -1.22 -1.08 0.00 0.00 178.44 175.94 3ir5 n TYR 103 N -5.32 0.00 -0.80 1.13 4.02 -1.25 -4.94 117.16 110.00 3ir5 n TYR 103 Ca 0.15 -0.38 -0.30 0.00 -0.01 0.00 0.00 57.90 57.36 3ir5 n TYR 103 Cb 0.52 -0.04 0.18 0.00 -0.02 0.00 0.00 39.34 39.98 3ir5 n TYR 103 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3ir5 s SER 104 N -0.85 2.55 0.00 7.72 1.04 -1.16 -4.88 113.70 118.12 3ir5 s SER 104 Ca 0.02 1.81 0.06 0.00 0.48 0.00 0.00 55.95 58.32 3ir5 s SER 104 Cb 0.02 -2.40 0.26 0.00 0.10 0.00 0.00 66.02 64.00 3ir5 s SER 104 CO 0.00 -3.27 1.09 0.00 0.98 0.00 0.00 173.24 172.04 3ir5 n ALA 105 N -4.32 1.36 -0.59 5.32 0.00 -1.26 -2.05 120.51 118.97 3ir5 n ALA 105 Ca 0.08 -0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.57 3ir5 n ALA 105 Cb 0.53 -1.09 0.22 0.00 0.00 0.00 0.00 19.45 19.11 3ir5 n ALA 105 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ir5 n ASN 106 N -1.38 3.49 -4.73 0.00 5.15 -1.26 -5.00 115.26 111.53 3ir5 n ASN 106 Ca 0.02 -2.52 -0.41 0.00 -0.60 0.00 0.00 54.58 51.07 3ir5 n ASN 106 Cb 0.05 -0.40 -0.03 0.00 -0.53 0.00 0.00 39.78 38.87 3ir5 n ASN 106 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3ir5 s ARG 107 N -1.93 4.46 -0.32 1.20 6.06 -0.87 -2.44 118.95 125.11 3ir5 s ARG 107 Ca 0.34 1.88 -0.24 0.00 -2.50 0.00 0.00 55.73 55.21 3ir5 s ARG 107 Cb 0.24 -3.26 0.00 0.00 0.06 0.00 0.00 34.95 32.00 3ir5 s ARG 107 CO 0.13 -0.15 0.82 -0.51 -2.50 0.00 0.00 175.30 173.09 3ir5 s LEU 108 N 0.08 4.08 -0.13 -0.88 1.43 0.00 -4.88 118.68 118.38 3ir5 s LEU 108 Ca 0.55 0.63 0.15 0.00 -1.03 0.00 0.00 54.13 54.43 3ir5 s LEU 108 Cb -0.33 -3.11 -0.22 0.00 0.03 0.00 0.00 46.19 42.56 3ir5 s LEU 108 CO 0.35 -0.67 0.12 0.29 0.23 0.00 0.00 176.35 176.67 3ir5 n LYS 109 N 6.33 1.15 -4.17 1.70 5.02 -1.26 -4.71 118.16 122.22 3ir5 n LYS 109 Ca 0.04 -0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.17 3ir5 n LYS 109 Cb 0.48 -1.42 -0.10 0.00 -0.02 0.00 0.00 35.03 33.96 3ir5 n LYS 109 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3ir5 s TYR 110 N -2.57 0.96 0.31 2.13 2.02 -1.26 -1.69 117.35 117.25 3ir5 s TYR 110 Ca -0.08 -0.76 -0.29 0.00 -0.37 0.00 0.00 57.07 55.57 3ir5 s TYR 110 Cb 0.06 -0.54 -0.10 0.00 -0.40 0.00 0.00 41.96 40.98 3ir5 s TYR 110 CO 0.69 -0.07 1.32 -1.25 -1.57 0.00 0.00 175.55 174.67 3ir5 s PRO 111 N -3.20 4.35 0.17 -1.71 0.04 -1.26 -4.33 135.00 129.07 3ir5 s PRO 111 Ca 0.07 2.21 0.10 0.00 0.04 0.00 0.00 61.00 63.43 3ir5 s PRO 111 Cb 0.00 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 3ir5 s PRO 111 CO -0.02 -0.22 -0.23 -1.64 0.04 0.00 0.00 177.00 174.94 3ir5 s MET 112 N -1.50 1.41 -0.01 4.56 -1.94 0.62 -1.17 119.30 121.27 3ir5 s MET 112 Ca 0.51 -1.44 -0.03 0.00 -1.71 0.00 0.00 55.69 53.01 3ir5 s MET 112 Cb -0.40 -1.70 -0.00 0.00 2.01 0.00 0.00 34.83 34.75 3ir5 s MET 112 CO 0.51 0.37 0.06 1.41 -0.01 0.00 0.00 175.02 177.36 3ir5 s MET 113 N -2.55 0.24 0.15 2.03 1.75 -0.82 -1.08 119.30 119.02 3ir5 s MET 113 Ca 0.17 -0.20 -0.31 0.00 -1.25 0.00 0.00 55.69 54.10 3ir5 s MET 113 Cb -0.08 0.10 -0.11 0.00 2.84 0.00 0.00 34.83 37.58 3ir5 s MET 113 CO 0.08 -0.05 1.76 0.50 -0.65 0.00 0.00 175.02 176.67 3ir5 s ARG 114 N -0.70 4.14 0.16 4.11 6.06 -0.59 -1.06 118.95 131.07 3ir5 s ARG 114 Ca -0.08 2.56 -0.25 0.00 -2.50 0.00 0.00 55.73 55.46 3ir5 s ARG 114 Cb -0.05 -3.39 0.02 0.00 0.06 0.00 0.00 34.95 31.60 3ir5 s ARG 114 CO 0.00 -0.79 1.58 -0.22 -2.50 0.00 0.00 175.30 173.38 3ir5 h LYS 115 N 7.84 -0.30 -0.92 5.12 3.64 -0.51 -0.59 116.57 130.85 3ir5 h LYS 115 Ca -0.44 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.14 3ir5 h LYS 115 Cb 1.21 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 32.99 3ir5 h LYS 115 CO 0.95 -0.20 0.49 -0.09 -2.27 0.00 0.00 179.45 178.33 3ir5 h ARG 116 N -0.31 0.59 -0.28 1.90 9.65 -1.90 0.70 114.38 124.73 3ir5 h ARG 116 Ca 0.15 -0.04 -0.13 0.00 -1.10 0.00 0.00 59.98 58.86 3ir5 h ARG 116 Cb 0.57 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 3ir5 h ARG 116 CO -0.54 0.39 -0.37 1.25 2.80 0.00 0.00 179.97 183.50 3ir5 h LEU 117 N 0.61 0.66 -0.42 3.80 5.85 -1.53 -2.73 115.31 121.55 3ir5 h LEU 117 Ca 0.53 -0.28 -0.10 0.00 0.84 0.00 0.00 57.88 58.87 3ir5 h LEU 117 Cb 0.86 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 3ir5 h LEU 117 CO -0.42 0.96 -0.12 -0.03 -0.34 0.00 0.00 178.44 178.50 3ir5 h MET 118 N 0.52 0.81 -0.69 1.25 4.05 0.37 -1.00 114.93 120.25 3ir5 h MET 118 Ca 0.05 -0.32 -0.02 0.00 -0.28 0.00 0.00 59.70 59.13 3ir5 h MET 118 Cb 0.87 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.60 3ir5 h MET 118 CO 0.08 0.94 0.34 -0.22 0.23 0.00 0.00 176.91 178.28 3ir5 h LYS 119 N 0.63 0.99 -0.01 0.39 3.64 -0.93 -1.67 116.57 119.61 3ir5 h LYS 119 Ca 0.10 -0.14 -0.16 0.00 -1.27 0.00 0.00 60.65 59.18 3ir5 h LYS 119 Cb 0.65 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 3ir5 h LYS 119 CO 0.04 0.77 -0.74 0.52 -2.27 0.00 0.00 179.45 177.77 3ir5 h MET 120 N 0.96 0.07 0.31 1.90 2.86 -1.38 -2.74 114.93 116.90 3ir5 h MET 120 Ca 0.24 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 3ir5 h MET 120 Cb 0.10 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.78 3ir5 h MET 120 CO -0.03 0.78 -0.15 2.35 1.06 0.00 0.00 176.91 180.92 3ir5 h TRP 121 N 0.04 -0.38 -0.21 -0.22 -0.00 -0.90 -0.25 115.95 114.03 3ir5 h TRP 121 Ca -0.01 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.89 58.83 3ir5 h TRP 121 Cb 1.31 0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 30.58 3ir5 h TRP 121 CO 0.01 -0.12 -0.04 0.00 -0.00 0.00 0.00 178.44 178.28 3ir5 h ARG 122 N -0.59 0.31 0.00 2.65 3.08 -1.36 0.03 114.38 118.50 3ir5 h ARG 122 Ca -0.04 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 59.78 3ir5 h ARG 122 Cb 0.43 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3ir5 h ARG 122 CO 0.07 0.37 -0.81 0.93 -1.07 0.00 0.00 179.97 179.46 3ir5 h GLU 123 N 0.30 0.02 -0.03 0.04 5.08 -1.42 -2.89 114.58 115.67 3ir5 h GLU 123 Ca 0.07 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.19 3ir5 h GLU 123 Cb 0.28 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3ir5 h GLU 123 CO 0.01 0.82 -0.88 0.00 -1.00 0.00 0.00 179.01 177.96 3ir5 h ALA 124 N 1.17 0.41 0.00 3.43 0.00 -0.28 -3.03 119.26 120.96 3ir5 h ALA 124 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3ir5 h ALA 124 Cb 1.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3ir5 h ALA 124 CO 0.11 0.79 0.00 0.87 0.00 0.00 0.00 179.25 181.02 3ir5 h LYS 125 N 0.27 0.00 0.00 0.00 1.57 -1.00 0.54 116.57 117.95 3ir5 h LYS 125 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3ir5 h LYS 125 Cb 1.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.81 3ir5 h LYS 125 CO 0.15 0.00 -0.23 0.00 -0.57 0.00 0.00 179.45 178.80 3ir5 h ALA 126 N 2.24 0.87 0.00 3.86 0.00 -1.38 -3.29 119.26 121.55 3ir5 h ALA 126 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ir5 h ALA 126 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3ir5 h ALA 126 CO 0.00 0.00 -1.11 1.28 0.00 0.00 0.00 179.25 179.42 3ir5 n LEU 127 N -2.64 0.22 -3.73 0.00 4.77 -0.84 -4.88 117.00 109.90 3ir5 n LEU 127 Ca 0.04 -0.21 -0.29 0.00 -0.03 0.00 0.00 56.01 55.52 3ir5 n LEU 127 Cb 0.49 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.42 3ir5 n LEU 127 CO 0.34 0.06 -0.35 -1.00 -1.33 0.00 0.00 177.39 175.11 3ir5 s HIS 128 N -2.49 1.39 0.49 -1.77 3.76 0.12 -5.00 115.29 111.79 3ir5 s HIS 128 Ca -0.01 -1.37 0.17 0.00 -0.15 0.00 0.00 55.06 53.70 3ir5 s HIS 128 Cb 0.08 -1.41 1.20 0.00 1.11 0.00 0.00 32.58 33.56 3ir5 s HIS 128 CO 0.47 -0.78 2.08 0.66 -0.85 0.00 0.00 174.74 176.32 3ir5 h SER 129 N 8.16 0.00 -3.39 1.40 4.64 -1.86 -3.40 113.55 119.10 3ir5 h SER 129 Ca -0.15 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.59 3ir5 h SER 129 Cb 1.05 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.06 3ir5 h SER 129 CO 0.42 0.09 0.04 -0.62 -0.87 0.00 0.00 176.83 175.89 3ir5 s ASP 130 N -6.92 6.74 0.42 4.97 3.68 -1.26 -4.98 116.67 119.32 3ir5 s ASP 130 Ca -0.04 0.89 0.11 0.00 2.13 0.00 0.00 52.55 55.64 3ir5 s ASP 130 Cb 0.16 -2.34 0.90 0.00 -1.45 0.00 0.00 42.92 40.19 3ir5 s ASP 130 CO 0.67 -0.17 1.97 1.55 0.13 0.00 0.00 175.17 179.33 3ir5 h PRO 131 N 7.14 0.18 -0.44 4.34 0.13 -1.95 -1.83 132.00 139.57 3ir5 h PRO 131 Ca -0.36 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3ir5 h PRO 131 Cb 1.16 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 3ir5 h PRO 131 CO 0.76 0.28 0.27 0.28 -0.23 0.00 0.00 178.00 179.36 3ir5 h VAL 132 N 0.17 1.13 0.00 1.56 2.07 -1.90 -1.51 116.25 117.77 3ir5 h VAL 132 Ca 0.04 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 3ir5 h VAL 132 Cb 0.28 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3ir5 h VAL 132 CO 0.01 0.13 -0.22 -0.33 0.02 0.00 0.00 177.57 177.19 3ir5 h GLU 133 N 0.58 0.00 -0.14 1.57 5.08 -1.87 -1.55 114.58 118.24 3ir5 h GLU 133 Ca 0.16 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.32 3ir5 h GLU 133 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3ir5 h GLU 133 CO -0.03 0.22 -0.70 0.00 -1.00 0.00 0.00 179.01 177.49 3ir5 h ALA 134 N 1.78 0.50 -0.05 3.43 0.00 -0.82 -2.67 119.26 121.43 3ir5 h ALA 134 Ca -0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 3ir5 h ALA 134 Cb 0.84 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3ir5 h ALA 134 CO 0.03 0.71 -0.02 2.35 0.00 0.00 0.00 179.25 182.32 3ir5 h TRP 135 N 0.44 0.12 -0.71 0.00 2.91 -1.01 -3.09 115.95 114.60 3ir5 h TRP 135 Ca -0.03 -0.03 0.13 0.00 1.13 0.00 0.00 58.89 60.10 3ir5 h TRP 135 Cb 1.30 -0.03 -0.09 0.00 -0.51 0.00 0.00 29.16 29.82 3ir5 h TRP 135 CO 0.06 0.46 0.24 0.00 -1.03 0.00 0.00 178.44 178.17 3ir5 h ALA 136 N 0.64 0.95 0.00 2.65 0.00 -1.30 0.22 119.26 122.41 3ir5 h ALA 136 Ca 0.01 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ir5 h ALA 136 Cb 0.43 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3ir5 h ALA 136 CO 0.01 -0.25 -0.02 0.66 0.00 0.00 0.00 179.25 179.65 3ir5 h SER 137 N 0.38 0.00 0.00 0.00 4.64 -1.40 -0.33 113.55 116.84 3ir5 h SER 137 Ca 0.39 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.65 3ir5 h SER 137 Cb 0.59 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 3ir5 h SER 137 CO -0.41 0.02 -0.71 -0.38 -0.87 0.00 0.00 176.83 174.48 3ir5 n ILE 138 N -3.48 1.44 0.28 0.95 5.41 0.48 -4.20 119.36 120.23 3ir5 n ILE 138 Ca -0.03 0.16 0.11 0.00 1.00 0.00 0.00 62.75 64.00 3ir5 n ILE 138 Cb 0.12 -2.32 0.76 0.00 -0.71 0.00 0.00 39.64 37.49 3ir5 n ILE 138 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 176.55 176.26 3ir5 h ILE 139 N -1.00 0.77 -0.00 1.39 6.09 -0.64 -2.10 117.51 122.01 3ir5 h ILE 139 Ca -0.08 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 3ir5 h ILE 139 Cb 0.70 1.04 0.00 0.00 0.47 0.00 0.00 36.82 39.03 3ir5 h ILE 139 CO -0.05 0.02 -0.15 -0.62 -3.07 0.00 0.00 178.15 174.28 3ir5 n GLU 140 N -4.16 0.54 -3.38 2.19 1.02 -0.14 -4.69 120.64 112.02 3ir5 n GLU 140 Ca -0.03 -0.20 -0.41 0.00 -0.02 0.00 0.00 57.16 56.50 3ir5 n GLU 140 Cb 0.10 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 29.94 3ir5 n GLU 140 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3ir5 s ASP 141 N -2.60 6.20 0.24 1.62 -1.08 -0.79 -4.97 116.67 115.29 3ir5 s ASP 141 Ca 0.25 -0.24 -0.05 0.00 -0.52 0.00 0.00 52.55 51.98 3ir5 s ASP 141 Cb 0.20 -2.21 0.38 0.00 -1.46 0.00 0.00 42.92 39.83 3ir5 s ASP 141 CO 0.51 -0.37 1.78 0.00 0.52 0.00 0.00 175.17 177.60 3ir5 h ALA 142 N 8.48 1.06 0.00 3.66 0.00 -1.84 -0.52 119.26 130.10 3ir5 h ALA 142 Ca -0.29 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 3ir5 h ALA 142 Cb 1.14 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3ir5 h ALA 142 CO 0.71 -0.05 -0.54 -0.44 0.00 0.00 0.00 179.25 178.93 3ir5 h ASP 143 N 0.61 0.00 0.03 0.00 3.32 -1.93 -2.37 116.42 116.09 3ir5 h ASP 143 Ca 0.38 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.35 3ir5 h ASP 143 Cb 0.44 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.99 3ir5 h ASP 143 CO -0.29 0.54 -0.33 0.11 -1.72 0.00 0.00 179.24 177.55 3ir5 h LYS 144 N 0.00 0.17 -0.65 3.56 1.57 -1.66 -2.55 116.57 117.01 3ir5 h LYS 144 Ca -0.01 -0.22 0.09 0.00 -1.87 0.00 0.00 60.65 58.64 3ir5 h LYS 144 Cb 0.98 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 3ir5 h LYS 144 CO 0.07 1.02 0.43 0.00 -0.57 0.00 0.00 179.45 180.40 3ir5 h ALA 145 N 0.16 1.91 0.06 3.86 0.00 -1.13 -2.32 119.26 121.80 3ir5 h ALA 145 Ca -0.05 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 3ir5 h ALA 145 Cb 1.15 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3ir5 h ALA 145 CO 0.06 -0.05 -1.06 -0.22 0.00 0.00 0.00 179.25 177.98 3ir5 h LYS 146 N 0.52 0.25 0.00 0.00 3.64 -1.47 -2.92 116.57 116.60 3ir5 h LYS 146 Ca 0.30 -0.35 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 3ir5 h LYS 146 Cb 0.47 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3ir5 h LYS 146 CO -0.09 1.11 -0.13 0.66 -2.27 0.00 0.00 179.45 178.73 3ir5 h SER 147 N 0.10 0.00 0.21 4.20 4.64 -0.97 -2.45 113.55 119.28 3ir5 h SER 147 Ca -0.09 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.08 3ir5 h SER 147 Cb 1.75 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.81 3ir5 h SER 147 CO 0.17 0.13 -1.95 2.22 -0.87 0.00 0.00 176.83 176.53 3ir5 n PHE 148 N -4.36 0.27 0.14 4.77 -1.74 -1.21 -3.83 117.46 111.50 3ir5 n PHE 148 Ca -0.03 0.09 0.00 0.00 -0.56 0.00 0.00 57.45 56.95 3ir5 n PHE 148 Cb 0.20 -0.82 0.19 0.00 1.52 0.00 0.00 39.48 40.57 3ir5 n PHE 148 CO 0.00 0.00 0.00 0.87 -0.56 0.00 0.00 176.76 177.07 3ir5 h LYS 149 N 0.00 0.00 -0.10 3.97 1.57 -1.36 -2.56 116.57 118.09 3ir5 h LYS 149 Ca -0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3ir5 h LYS 149 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.84 3ir5 h LYS 149 CO 0.02 0.58 0.00 1.04 -0.57 0.00 0.00 179.45 180.52 3ir5 n GLN 150 N -3.69 1.85 0.03 3.15 6.02 -0.93 -3.08 117.38 120.73 3ir5 n GLN 150 Ca -0.01 -1.26 0.11 0.00 -0.01 0.00 0.00 57.00 55.84 3ir5 n GLN 150 Cb 0.62 -1.45 0.08 0.00 1.02 0.00 0.00 30.24 30.50 3ir5 n GLN 150 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ir5 n ALA 151 N 0.50 3.33 -1.68 -1.58 0.00 -0.97 -4.85 120.51 115.27 3ir5 n ALA 151 Ca 0.17 -0.36 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 3ir5 n ALA 151 Cb 0.40 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 3ir5 n ALA 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ir5 n ARG 152 N -1.94 2.70 -0.97 0.00 1.74 -1.18 -1.67 116.66 115.36 3ir5 n ARG 152 Ca 0.03 0.99 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 3ir5 n ARG 152 Cb 0.42 -2.89 0.00 0.00 -1.02 0.00 0.00 32.46 28.97 3ir5 n ARG 152 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ir5 n GLY 153 N 4.35 0.45 2.40 -0.13 0.00 -1.05 -4.89 105.19 106.33 3ir5 n GLY 153 Ca 0.19 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 3ir5 n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ir5 n ARG 154 N -2.97 2.74 0.00 1.61 5.12 -0.67 -4.98 116.66 117.51 3ir5 n ARG 154 Ca 0.00 -3.88 0.00 0.00 -1.93 0.00 0.00 57.85 52.04 3ir5 n ARG 154 Cb 0.00 -1.96 0.00 0.00 -1.16 0.00 0.00 32.46 29.34 3ir5 n ARG 154 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ir5 n GLY 155 N -0.62 -1.24 0.86 -0.13 0.00 -1.26 -4.99 105.19 97.81 3ir5 n GLY 155 Ca 0.27 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3ir5 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ir5 n GLY 156 N 0.00 0.77 3.77 -0.02 0.00 -1.26 -4.84 105.19 103.61 3ir5 n GLY 156 Ca 0.00 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 3ir5 n GLY 156 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ir5 s PHE 157 N -2.00 3.23 0.09 1.61 0.08 -1.26 0.26 117.98 119.98 3ir5 s PHE 157 Ca 0.00 1.57 0.05 0.00 0.12 0.00 0.00 56.93 58.67 3ir5 s PHE 157 Cb 0.00 -3.42 -0.03 0.00 -0.57 0.00 0.00 43.02 39.00 3ir5 s PHE 157 CO 0.00 -1.18 -0.14 0.14 -0.10 0.00 0.00 175.22 173.94 3ir5 s VAL 158 N -1.28 1.14 0.12 -0.44 -7.23 -0.22 -4.83 120.40 107.66 3ir5 s VAL 158 Ca 0.51 -1.45 -0.31 0.00 -1.81 0.00 0.00 61.98 58.92 3ir5 s VAL 158 Cb -0.33 -1.22 -0.08 0.00 0.56 0.00 0.00 36.38 35.31 3ir5 s VAL 158 CO 0.42 -0.32 1.35 -0.60 -0.31 0.00 0.00 175.10 175.65 3ir5 s ARG 159 N -2.11 4.34 0.00 4.82 3.52 -1.26 -1.95 118.95 126.31 3ir5 s ARG 159 Ca 0.02 2.03 0.00 0.00 -0.13 0.00 0.00 55.73 57.65 3ir5 s ARG 159 Cb -0.08 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 30.06 3ir5 s ARG 159 CO 0.02 -0.39 0.00 0.45 -0.81 0.00 0.00 175.30 174.57 3ir5 n SER 160 N 3.77 0.32 -3.78 -2.12 2.88 -0.32 -4.91 113.62 109.46 3ir5 n SER 160 Ca 0.10 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.53 3ir5 n SER 160 Cb 0.43 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.81 3ir5 n SER 160 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3ir5 s SER 161 N 0.72 -0.07 0.27 -3.46 1.04 -1.26 -4.64 113.70 106.31 3ir5 s SER 161 Ca 0.00 -0.28 -0.01 0.00 0.48 0.00 0.00 55.95 56.14 3ir5 s SER 161 Cb 0.00 0.34 0.48 0.00 0.10 0.00 0.00 66.02 66.94 3ir5 s SER 161 CO 0.00 -0.62 1.86 -0.50 0.98 0.00 0.00 173.24 174.96 3ir5 h TRP 162 N 3.21 1.18 -0.49 5.02 4.06 -1.98 -1.44 115.95 125.51 3ir5 h TRP 162 Ca -0.32 0.03 0.01 0.00 2.06 0.00 0.00 58.89 60.67 3ir5 h TRP 162 Cb 1.20 -0.38 -0.02 0.00 -1.00 0.00 0.00 29.16 28.95 3ir5 h TRP 162 CO 0.46 0.54 0.33 0.37 -3.56 0.00 0.00 178.44 176.58 3ir5 h GLN 163 N 1.09 0.65 0.47 0.49 4.15 -1.99 -0.52 115.11 119.45 3ir5 h GLN 163 Ca 0.46 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.82 3ir5 h GLN 163 Cb 0.32 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.87 3ir5 h GLN 163 CO -0.22 0.43 -0.23 1.49 -1.93 0.00 0.00 178.83 178.38 3ir5 h GLU 164 N 0.66 -0.61 -0.84 1.69 4.81 -1.78 -2.88 114.58 115.64 3ir5 h GLU 164 Ca 0.18 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3ir5 h GLU 164 Cb -0.07 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 3ir5 h GLU 164 CO -0.04 -0.30 0.51 -0.39 -0.73 0.00 0.00 179.01 178.06 3ir5 h VAL 165 N -0.95 1.23 -0.71 0.32 -1.51 -1.29 -1.98 116.25 111.36 3ir5 h VAL 165 Ca -0.06 -0.49 -0.02 0.00 -1.23 0.00 0.00 66.70 64.89 3ir5 h VAL 165 Cb 0.59 0.04 -0.03 0.00 -2.13 0.00 0.00 31.29 29.75 3ir5 h VAL 165 CO 0.11 0.24 0.36 0.78 -1.23 0.00 0.00 177.57 177.82 3ir5 h ASN 166 N 1.16 0.90 -0.19 4.19 2.35 -1.15 -0.47 115.58 122.36 3ir5 h ASN 166 Ca 0.30 -0.09 -0.12 0.00 -0.55 0.00 0.00 56.30 55.84 3ir5 h ASN 166 Cb -0.06 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.08 3ir5 h ASN 166 CO -0.06 0.75 -0.36 -0.08 -1.65 0.00 0.00 177.43 176.03 3ir5 h GLU 167 N 1.00 0.59 -0.68 0.81 4.81 -1.19 -1.72 114.58 118.20 3ir5 h GLU 167 Ca 0.25 -0.37 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 3ir5 h GLU 167 Cb 0.08 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3ir5 h GLU 167 CO -0.03 0.99 0.40 1.25 -0.73 0.00 0.00 179.01 180.88 3ir5 h LEU 168 N 0.26 0.82 -0.32 1.64 6.46 -1.13 0.19 115.31 123.24 3ir5 h LEU 168 Ca 0.01 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.67 3ir5 h LEU 168 Cb 0.96 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 3ir5 h LEU 168 CO 0.08 0.65 0.08 0.40 -0.62 0.00 0.00 178.44 179.03 3ir5 h ILE 169 N 0.92 1.22 -0.57 4.05 2.04 -1.07 -0.82 117.51 123.28 3ir5 h ILE 169 Ca 0.24 -0.73 -0.06 0.00 1.00 0.00 0.00 64.86 65.32 3ir5 h ILE 169 Cb -0.01 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3ir5 h ILE 169 CO -0.04 0.24 0.14 0.00 0.00 0.00 0.00 178.15 178.49 3ir5 h ALA 170 N 0.91 0.75 0.43 1.87 0.00 -1.06 -0.60 119.26 121.56 3ir5 h ALA 170 Ca 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3ir5 h ALA 170 Cb 0.29 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ir5 h ALA 170 CO 0.00 0.45 -0.25 0.00 0.00 0.00 0.00 179.25 179.45 3ir5 h ALA 171 N 1.02 -0.64 -0.95 0.00 0.00 -0.47 -0.37 119.26 117.86 3ir5 h ALA 171 Ca 0.18 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.04 3ir5 h ALA 171 Cb 0.34 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 3ir5 h ALA 171 CO 0.00 -0.87 0.61 1.03 0.00 0.00 0.00 179.25 180.03 3ir5 h SER 172 N -0.64 0.93 -0.37 0.00 0.87 -1.03 -0.50 113.55 112.81 3ir5 h SER 172 Ca -0.05 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.44 3ir5 h SER 172 Cb 0.52 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 3ir5 h SER 172 CO 0.06 0.57 -0.10 0.78 -0.53 0.00 0.00 176.83 177.61 3ir5 h ASN 173 N 1.04 0.73 0.58 6.23 -0.26 -0.82 -1.47 115.58 121.60 3ir5 h ASN 173 Ca 0.43 -0.37 -0.03 0.00 -0.56 0.00 0.00 56.30 55.77 3ir5 h ASN 173 Cb 0.28 -0.20 0.01 0.00 -1.06 0.00 0.00 38.32 37.35 3ir5 h ASN 173 CO -0.18 0.93 -0.28 0.58 -1.06 0.00 0.00 177.43 177.42 3ir5 h VAL 174 N 0.52 0.42 -0.51 2.81 2.07 -0.45 -1.38 116.25 119.72 3ir5 h VAL 174 Ca 0.09 -0.10 0.09 0.00 0.82 0.00 0.00 66.70 67.60 3ir5 h VAL 174 Cb 0.62 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 3ir5 h VAL 174 CO 0.04 0.02 0.11 0.22 0.02 0.00 0.00 177.57 177.98 3ir5 h TYR 175 N -0.84 0.18 -0.71 1.57 5.03 -1.13 0.31 116.97 121.38 3ir5 h TYR 175 Ca -0.08 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.21 3ir5 h TYR 175 Cb 0.62 -0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.87 3ir5 h TYR 175 CO -0.02 -0.00 0.24 1.15 -1.32 0.00 0.00 178.16 178.20 3ir5 h THR 176 N 0.25 1.26 -0.38 1.81 2.02 -1.21 -0.90 112.91 115.75 3ir5 h THR 176 Ca 0.26 -0.86 -0.11 0.00 0.77 0.00 0.00 66.41 66.46 3ir5 h THR 176 Cb 0.35 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3ir5 h THR 176 CO -0.33 0.34 -0.21 0.40 0.37 0.00 0.00 175.52 176.09 3ir5 h ILE 177 N 1.03 1.28 -0.27 3.11 2.04 -0.73 -1.54 117.51 122.43 3ir5 h ILE 177 Ca 0.23 -1.35 -0.05 0.00 1.00 0.00 0.00 64.86 64.69 3ir5 h ILE 177 Cb 0.28 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 3ir5 h ILE 177 CO -0.01 0.45 -0.01 0.50 0.00 0.00 0.00 178.15 179.07 3ir5 h LYS 178 N 0.62 0.49 0.00 2.37 3.64 -0.79 -2.34 116.57 120.57 3ir5 h LYS 178 Ca 0.08 -0.16 -0.22 0.00 -1.27 0.00 0.00 60.65 59.08 3ir5 h LYS 178 Cb 0.77 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 3ir5 h LYS 178 CO 0.06 0.66 -1.50 -0.91 -2.27 0.00 0.00 179.45 175.50 3ir5 h ASN 179 N 0.27 0.00 0.00 4.20 4.21 -1.22 -3.42 115.58 119.61 3ir5 h ASN 179 Ca 0.08 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.56 3ir5 h ASN 179 Cb 0.45 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.65 3ir5 h ASN 179 CO 0.02 0.78 -1.10 -1.22 -1.29 0.00 0.00 177.43 174.62 3ir5 n TYR 180 N -2.99 0.00 0.00 1.19 4.02 -0.65 -4.90 117.16 113.84 3ir5 n TYR 180 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 3ir5 n TYR 180 Cb 0.94 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 40.19 3ir5 n TYR 180 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ir5 n GLY 181 N 3.35 4.54 0.33 2.72 0.00 -0.81 -3.74 105.19 111.59 3ir5 n GLY 181 Ca -0.03 -1.37 -0.03 0.00 0.00 0.00 0.00 46.02 44.59 3ir5 n GLY 181 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ir5 h PRO 182 N 0.00 0.96 -0.16 1.61 0.13 -1.83 -2.41 132.00 130.31 3ir5 h PRO 182 Ca 0.00 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3ir5 h PRO 182 Cb 0.00 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 30.96 3ir5 h PRO 182 CO 0.00 0.77 0.00 -0.40 -0.23 0.00 0.00 178.00 178.14 3ir5 n ASP 183 N -4.32 0.16 -0.91 1.44 5.75 -1.20 -1.34 116.55 116.12 3ir5 n ASP 183 Ca 0.06 -1.21 0.11 0.00 -0.01 0.00 0.00 54.79 53.74 3ir5 n ASP 183 Cb 0.16 -0.08 0.10 0.00 -1.03 0.00 0.00 41.12 40.27 3ir5 n ASP 183 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3ir5 n ARG 184 N -0.32 2.15 -4.66 0.11 3.00 -0.91 -4.17 116.66 111.86 3ir5 n ARG 184 Ca 0.00 -1.87 -0.33 0.00 -0.01 0.00 0.00 57.85 55.64 3ir5 n ARG 184 Cb 0.04 -1.44 -0.13 0.00 0.00 0.00 0.00 32.46 30.93 3ir5 n ARG 184 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3ir5 s VAL 185 N -1.86 3.43 0.13 1.55 1.01 -0.45 -0.30 120.40 123.91 3ir5 s VAL 185 Ca 0.27 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 3ir5 s VAL 185 Cb 0.19 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 3ir5 s VAL 185 CO 0.28 0.54 0.18 0.00 0.00 0.00 0.00 175.10 176.10 3ir5 s ALA 186 N -0.09 0.25 0.01 5.51 0.00 0.13 -0.96 121.76 126.61 3ir5 s ALA 186 Ca -0.00 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.93 3ir5 s ALA 186 Cb -0.13 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.72 3ir5 s ALA 186 CO 0.03 -0.55 -0.04 0.20 0.00 0.00 0.00 175.76 175.40 3ir5 s GLY 187 N -2.97 0.22 -0.16 0.00 0.00 -0.61 -0.60 107.32 103.20 3ir5 s GLY 187 Ca 0.16 -0.29 -0.00 0.00 0.00 0.00 0.00 44.72 44.59 3ir5 s GLY 187 CO -0.02 -0.29 -0.08 -0.12 0.00 0.00 0.00 173.10 172.59 3ir5 s PHE 188 N -0.45 1.87 -0.09 1.90 2.19 0.12 -2.44 117.98 121.09 3ir5 s PHE 188 Ca -0.03 -1.14 -0.05 0.00 0.33 0.00 0.00 56.93 56.04 3ir5 s PHE 188 Cb -0.04 -1.40 0.04 0.00 -1.31 0.00 0.00 43.02 40.30 3ir5 s PHE 188 CO -0.00 -0.63 0.21 0.45 1.83 0.00 0.00 175.22 177.08 3ir5 s SER 189 N 1.58 -0.22 0.66 6.13 0.15 -1.26 -2.65 113.70 118.09 3ir5 s SER 189 Ca 0.02 0.44 0.06 0.00 0.70 0.00 0.00 55.95 57.17 3ir5 s SER 189 Cb -0.15 0.37 0.12 0.00 -1.71 0.00 0.00 66.02 64.65 3ir5 s SER 189 CO -0.08 -0.13 0.90 -2.16 1.20 0.00 0.00 173.24 172.97 3ir5 s PRO 190 N 0.84 1.95 0.00 5.44 0.04 -1.26 -4.84 135.00 137.16 3ir5 s PRO 190 Ca -0.06 -1.49 0.00 0.00 0.04 0.00 0.00 61.00 59.49 3ir5 s PRO 190 Cb -0.07 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.96 3ir5 s PRO 190 CO -0.05 -1.19 0.00 -0.89 0.04 0.00 0.00 177.00 174.91 3ir5 n ILE 191 N -2.54 0.00 0.28 0.56 -0.00 -1.26 -4.83 119.36 111.56 3ir5 n ILE 191 Ca 0.17 0.00 0.17 0.00 -0.00 0.00 0.00 62.75 63.09 3ir5 n ILE 191 Cb 0.61 0.00 0.73 0.00 -0.00 0.00 0.00 39.64 40.98 3ir5 n ILE 191 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.55 178.10 3ir5 h PRO 192 N 0.77 0.00 -0.09 0.38 0.13 -1.90 -3.15 132.00 128.15 3ir5 h PRO 192 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.16 3ir5 h PRO 192 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 3ir5 h PRO 192 CO 0.00 0.02 0.06 0.00 -0.23 0.00 0.00 178.00 177.85 3ir5 h ALA 193 N 1.98 2.07 0.00 -0.56 0.00 -1.88 0.15 119.26 121.01 3ir5 h ALA 193 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ir5 h ALA 193 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3ir5 h ALA 193 CO 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.14 3ir5 h MET 194 N 0.00 0.00 -0.06 0.00 -0.00 -1.79 -2.09 114.93 110.99 3ir5 h MET 194 Ca 0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.63 3ir5 h MET 194 Cb 0.17 0.00 -0.14 0.00 -0.00 0.00 0.00 31.60 31.63 3ir5 h MET 194 CO -0.00 0.00 -0.20 -1.13 -0.00 0.00 0.00 176.91 175.58 3ir5 n SER 195 N -2.56 -1.87 -0.39 -0.10 3.41 -0.82 -4.19 113.62 107.09 3ir5 n SER 195 Ca 0.04 -2.18 -0.09 0.00 -0.26 0.00 0.00 58.87 56.38 3ir5 n SER 195 Cb 0.41 1.08 -0.07 0.00 -0.26 0.00 0.00 64.21 65.37 3ir5 n SER 195 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3ir5 n MET 196 N 1.73 -0.39 0.05 4.33 0.00 0.46 -1.27 117.12 122.03 3ir5 n MET 196 Ca 0.05 1.44 -0.02 0.00 0.00 0.00 0.00 57.70 59.17 3ir5 n MET 196 Cb 0.67 -2.12 0.23 0.00 0.00 0.00 0.00 33.22 32.00 3ir5 n MET 196 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3ir5 h VAL 197 N 0.00 1.27 -0.34 2.03 2.07 -1.85 -0.42 116.25 119.00 3ir5 h VAL 197 Ca 0.18 -1.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 3ir5 h VAL 197 Cb 0.42 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3ir5 h VAL 197 CO -0.90 0.40 -0.06 0.28 0.02 0.00 0.00 177.57 177.31 3ir5 h SER 198 N 0.33 0.53 0.00 0.57 0.02 -1.54 -0.66 113.55 112.81 3ir5 h SER 198 Ca 0.05 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.81 3ir5 h SER 198 Cb 0.69 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 63.09 3ir5 h SER 198 CO 0.05 0.64 -0.26 0.22 -1.14 0.00 0.00 176.83 176.33 3ir5 h TYR 199 N 0.52 0.26 -0.90 3.45 5.03 -1.12 -3.29 116.97 120.91 3ir5 h TYR 199 Ca 0.10 -0.14 0.20 0.00 2.58 0.00 0.00 58.73 61.47 3ir5 h TYR 199 Cb 0.42 -0.03 -0.07 0.00 1.55 0.00 0.00 36.73 38.61 3ir5 h TYR 199 CO 0.02 0.96 0.60 0.00 -1.32 0.00 0.00 178.16 178.41 3ir5 h ALA 200 N 0.24 2.15 0.21 1.82 0.00 -0.75 -2.81 119.26 120.12 3ir5 h ALA 200 Ca -0.03 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3ir5 h ALA 200 Cb 1.04 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3ir5 h ALA 200 CO 0.05 -0.44 -0.51 0.66 0.00 0.00 0.00 179.25 179.01 3ir5 h SER 201 N 0.44 -1.50 -0.35 0.00 4.64 -1.19 0.28 113.55 115.88 3ir5 h SER 201 Ca 0.47 0.15 -0.15 0.00 -0.47 0.00 0.00 61.79 61.79 3ir5 h SER 201 Cb 1.12 0.54 -0.00 0.00 -0.31 0.00 0.00 62.40 63.75 3ir5 h SER 201 CO -0.19 -0.58 -0.37 1.23 -0.87 0.00 0.00 176.83 176.05 3ir5 h GLY 202 N -0.80 0.94 1.31 -0.77 0.00 -1.72 -2.79 103.07 99.23 3ir5 h GLY 202 Ca -0.02 -0.97 0.03 0.00 0.00 0.00 0.00 47.33 46.38 3ir5 h GLY 202 CO -0.23 0.88 0.38 0.00 0.00 0.00 0.00 176.54 177.57 3ir5 h ALA 203 N 0.74 1.71 -0.06 3.60 0.00 -1.30 -0.74 119.26 123.21 3ir5 h ALA 203 Ca 0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3ir5 h ALA 203 Cb 0.96 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3ir5 h ALA 203 CO 0.09 0.23 -0.10 -0.09 0.00 0.00 0.00 179.25 179.37 3ir5 h ARG 204 N 0.67 0.18 -0.17 0.00 2.43 0.67 -0.42 114.38 117.74 3ir5 h ARG 204 Ca 0.23 -0.11 0.03 0.00 -0.81 0.00 0.00 59.98 59.32 3ir5 h ARG 204 Cb 0.10 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 3ir5 h ARG 204 CO -0.06 0.68 -0.02 -0.92 -1.51 0.00 0.00 179.97 178.14 3ir5 h TYR 205 N -0.29 -0.04 -0.33 2.20 5.03 -1.20 -1.49 116.97 120.85 3ir5 h TYR 205 Ca 0.00 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.33 3ir5 h TYR 205 Cb 0.66 0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.97 3ir5 h TYR 205 CO 0.11 -0.05 0.21 -0.07 -1.32 0.00 0.00 178.16 177.04 3ir5 h LEU 206 N 0.03 0.39 -0.61 2.82 3.38 -1.16 -2.67 115.31 117.48 3ir5 h LEU 206 Ca 0.08 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3ir5 h LEU 206 Cb 0.11 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3ir5 h LEU 206 CO -0.15 0.31 0.39 0.28 0.09 0.00 0.00 178.44 179.36 3ir5 h SER 207 N 0.43 0.66 -0.47 -0.43 0.02 -0.77 0.15 113.55 113.14 3ir5 h SER 207 Ca 0.12 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3ir5 h SER 207 Cb -0.02 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3ir5 h SER 207 CO -0.02 0.47 0.23 -0.07 -1.14 0.00 0.00 176.83 176.30 3ir5 h LEU 208 N 0.79 0.64 -1.23 5.07 3.38 -1.12 -2.36 115.31 120.49 3ir5 h LEU 208 Ca 0.23 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3ir5 h LEU 208 Cb -0.04 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3ir5 h LEU 208 CO -0.07 0.56 0.00 2.30 0.09 0.00 0.00 178.44 181.31 3ir5 n ILE 209 N -4.37 0.11 -0.73 1.22 -5.35 -0.94 -4.83 119.36 104.47 3ir5 n ILE 209 Ca 0.04 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 3ir5 n ILE 209 Cb 0.13 0.61 0.00 0.00 -1.74 0.00 0.00 39.64 38.64 3ir5 n ILE 209 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ir5 n GLY 210 N 1.21 0.67 3.74 3.28 0.00 -0.43 -4.72 105.19 108.93 3ir5 n GLY 210 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3ir5 n GLY 210 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ir5 s GLY 211 N -1.97 1.64 -0.06 -0.02 0.00 0.39 -3.26 107.32 104.04 3ir5 s GLY 211 Ca 0.00 0.04 -0.18 0.00 0.00 0.00 0.00 44.72 44.57 3ir5 s GLY 211 CO 0.00 0.47 0.50 -0.51 0.00 0.00 0.00 173.10 173.57 3ir5 s THR 212 N -2.94 5.07 -0.34 0.90 -4.23 -0.13 -4.37 115.64 109.59 3ir5 s THR 212 Ca 0.62 1.03 -0.12 0.00 -1.18 0.00 0.00 61.69 62.04 3ir5 s THR 212 Cb -0.17 -3.84 -0.01 0.00 1.34 0.00 0.00 72.50 69.82 3ir5 s THR 212 CO 0.56 0.40 0.23 0.00 -0.54 0.00 0.00 174.62 175.27 3ir5 s LEU 214 N 1.69 4.50 0.99 0.00 1.43 -1.02 -1.77 118.68 124.49 3ir5 s LEU 214 Ca 0.05 1.82 -0.15 0.00 -1.03 0.00 0.00 54.13 54.83 3ir5 s LEU 214 Cb -0.18 -3.72 0.19 0.00 0.03 0.00 0.00 46.19 42.51 3ir5 s LEU 214 CO 0.09 0.07 1.18 -0.94 0.23 0.00 0.00 176.35 176.98 3ir5 s SER 215 N -1.38 2.78 0.00 2.29 1.04 0.48 -4.63 113.70 114.27 3ir5 s SER 215 Ca 0.44 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.58 3ir5 s SER 215 Cb -0.22 -1.08 0.00 0.00 0.10 0.00 0.00 66.02 64.82 3ir5 s SER 215 CO 0.27 -2.98 0.00 2.22 0.98 0.00 0.00 173.24 173.73 3ir5 n PHE 216 N -4.01 0.00 -0.29 5.02 1.16 -1.26 -4.38 117.46 113.69 3ir5 n PHE 216 Ca 0.10 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.66 3ir5 n PHE 216 Cb 0.59 0.00 0.10 0.00 -1.61 0.00 0.00 39.48 38.56 3ir5 n PHE 216 CO 0.00 0.00 0.00 -0.92 -1.87 0.00 0.00 176.76 173.97 3ir5 h TYR 217 N 0.00 0.96 0.10 2.97 3.20 -1.96 0.39 116.97 122.63 3ir5 h TYR 217 Ca 0.00 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.73 3ir5 h TYR 217 Cb 0.00 -0.32 0.02 0.00 1.54 0.00 0.00 36.73 37.97 3ir5 h TYR 217 CO 0.00 0.55 -0.70 0.38 -1.64 0.00 0.00 178.16 176.75 3ir5 h ASP 218 N 1.00 0.45 -0.85 -2.11 -0.00 -1.87 -1.03 116.42 112.01 3ir5 h ASP 218 Ca 0.32 -0.91 0.19 0.00 -0.00 0.00 0.00 57.03 56.63 3ir5 h ASP 218 Cb 0.01 -0.14 -0.11 0.00 -0.00 0.00 0.00 39.33 39.09 3ir5 h ASP 218 CO -0.11 1.32 0.38 -0.25 -0.00 0.00 0.00 179.24 180.57 3ir5 h TRP 219 N -0.36 0.63 -0.00 4.15 -0.00 -1.71 0.21 115.95 118.87 3ir5 h TRP 219 Ca -0.12 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.81 3ir5 h TRP 219 Cb 1.51 -0.15 0.00 0.00 -0.00 0.00 0.00 29.16 30.53 3ir5 h TRP 219 CO 0.19 0.02 -0.04 0.66 -0.00 0.00 0.00 178.44 179.28 3ir5 n TYR 220 N -5.00 0.00 -2.69 2.65 0.53 0.10 -3.70 117.16 109.05 3ir5 n TYR 220 Ca 0.19 0.00 -0.18 0.00 -1.02 0.00 0.00 57.90 56.89 3ir5 n TYR 220 Cb 0.55 -0.08 0.02 0.00 -1.03 0.00 0.00 39.34 38.80 3ir5 n TYR 220 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3ir5 n ASP 222 N -1.63 0.62 -4.69 0.00 10.43 -0.47 -4.64 116.55 116.18 3ir5 n ASP 222 Ca -0.14 0.25 -0.42 0.00 2.57 0.00 0.00 54.79 57.05 3ir5 n ASP 222 Cb 0.62 0.77 -0.03 0.00 1.84 0.00 0.00 41.12 44.32 3ir5 n ASP 222 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 3ir5 s LEU 223 N -5.26 4.32 -0.76 0.64 2.96 -0.71 -4.90 118.68 114.96 3ir5 s LEU 223 Ca -0.03 2.12 -0.13 0.00 -0.22 0.00 0.00 54.13 55.87 3ir5 s LEU 223 Cb 0.10 -3.56 0.20 0.00 0.50 0.00 0.00 46.19 43.43 3ir5 s LEU 223 CO 0.82 -0.73 0.69 -2.16 -1.32 0.00 0.00 176.35 173.66 3ir5 s PRO 224 N 2.46 3.41 0.57 0.98 0.04 -1.26 -4.90 135.00 136.29 3ir5 s PRO 224 Ca 0.64 -2.35 0.47 0.00 0.04 0.00 0.00 61.00 59.80 3ir5 s PRO 224 Cb -0.32 -4.34 1.63 0.00 0.04 0.00 0.00 34.50 31.51 3ir5 s PRO 224 CO 0.27 -1.28 1.56 -1.35 0.04 0.00 0.00 177.00 176.23 3ir5 h PRO 225 N 7.89 0.00 0.00 0.56 0.11 -1.93 0.98 132.00 139.61 3ir5 h PRO 225 Ca 0.03 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 3ir5 h PRO 225 Cb 1.04 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3ir5 h PRO 225 CO 0.79 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.55 3ir5 h ALA 226 N 0.97 1.57 0.08 -0.75 0.00 -1.90 -1.55 119.26 117.68 3ir5 h ALA 226 Ca 0.86 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.74 3ir5 h ALA 226 Cb 3.58 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 21.37 3ir5 h ALA 226 CO -0.01 0.04 -0.04 1.03 0.00 0.00 0.00 179.25 180.27 3ir5 h SER 227 N 0.00 -0.09 0.03 0.00 0.87 0.73 -0.80 113.55 114.29 3ir5 h SER 227 Ca -0.00 -0.51 -0.00 0.00 -1.23 0.00 0.00 61.79 60.04 3ir5 h SER 227 Cb 0.07 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 3ir5 h SER 227 CO 0.00 0.53 -0.02 -0.65 -0.53 0.00 0.00 176.83 176.17 3ir5 h PRO 228 N -0.78 0.00 -0.21 2.24 0.11 -1.37 0.13 132.00 132.11 3ir5 h PRO 228 Ca -0.01 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.90 3ir5 h PRO 228 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 3ir5 h PRO 228 CO 0.02 0.02 -0.67 1.96 -0.21 0.00 0.00 178.00 179.12 3ir5 h GLN 229 N 0.00 0.80 0.04 1.05 4.20 -1.20 -1.12 115.11 118.88 3ir5 h GLN 229 Ca -0.00 -0.58 -0.33 0.00 0.06 0.00 0.00 58.65 57.80 3ir5 h GLN 229 Cb 0.04 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 3ir5 h GLN 229 CO 0.00 1.20 -1.90 2.41 -0.67 0.00 0.00 178.83 179.88 3ir5 n THR 230 N -3.96 1.64 -0.08 -0.54 -1.04 -0.32 -4.57 114.28 105.41 3ir5 n THR 230 Ca -0.06 -0.75 0.00 0.00 -2.04 0.00 0.00 64.05 61.20 3ir5 n THR 230 Cb 0.69 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 3ir5 n THR 230 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 3ir5 n TRP 231 N -3.16 0.00 -2.30 -1.42 8.01 0.40 -1.37 117.44 117.61 3ir5 n TRP 231 Ca -0.24 0.00 -0.17 0.00 -1.31 0.00 0.00 57.50 55.78 3ir5 n TRP 231 Cb 1.06 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 30.35 3ir5 n TRP 231 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ir5 n GLY 232 N 0.49 -0.29 3.02 6.99 0.00 -0.42 -3.07 105.19 111.91 3ir5 n GLY 232 Ca 0.00 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 3ir5 n GLY 232 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ir5 s GLU 233 N -4.81 1.69 0.13 1.61 2.56 -1.24 -4.57 118.70 114.07 3ir5 s GLU 233 Ca 0.00 -0.40 -0.30 0.00 0.00 0.00 0.00 54.97 54.27 3ir5 s GLU 233 Cb 0.00 -1.41 -0.06 0.00 2.00 0.00 0.00 34.13 34.66 3ir5 s GLU 233 CO 0.00 0.01 1.58 0.37 -0.56 0.00 0.00 175.26 176.66 3ir5 h GLN 234 N 7.03 -0.48 -1.13 4.30 4.15 -1.89 -3.06 115.11 124.04 3ir5 h GLN 234 Ca -0.31 0.03 0.18 0.00 0.77 0.00 0.00 58.65 59.32 3ir5 h GLN 234 Cb 1.18 0.11 -0.30 0.00 0.21 0.00 0.00 27.48 28.68 3ir5 h GLN 234 CO 0.47 -0.32 0.58 0.99 -1.93 0.00 0.00 178.83 178.62 3ir5 s THR 235 N -5.86 -0.04 -0.16 2.39 2.01 -1.26 -4.56 115.64 108.17 3ir5 s THR 235 Ca -0.15 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.78 3ir5 s THR 235 Cb 0.09 -1.00 0.07 0.00 0.01 0.00 0.00 72.50 71.67 3ir5 s THR 235 CO 0.64 0.00 0.35 -0.62 -0.69 0.00 0.00 174.62 174.30 3ir5 s ASP 236 N 1.32 -0.21 0.13 3.53 3.68 -1.26 -4.99 116.67 118.87 3ir5 s ASP 236 Ca -0.07 0.78 0.01 0.00 2.13 0.00 0.00 52.55 55.40 3ir5 s ASP 236 Cb -0.03 0.83 -0.04 0.00 -1.45 0.00 0.00 42.92 42.23 3ir5 s ASP 236 CO -0.12 -0.21 -0.02 0.68 0.13 0.00 0.00 175.17 175.63 3ir5 s VAL 237 N 1.91 0.57 0.64 1.11 -7.23 -1.26 -4.76 120.40 111.38 3ir5 s VAL 237 Ca -0.05 -1.94 -0.15 0.00 -1.81 0.00 0.00 61.98 58.03 3ir5 s VAL 237 Cb -0.10 -1.89 -0.01 0.00 0.56 0.00 0.00 36.38 34.93 3ir5 s VAL 237 CO -0.11 -0.67 1.09 -2.16 -0.31 0.00 0.00 175.10 172.93 3ir5 s PRO 238 N -3.90 2.99 0.79 4.82 0.04 -1.26 -4.09 135.00 134.39 3ir5 s PRO 238 Ca 0.18 1.28 -0.11 0.00 0.04 0.00 0.00 61.00 62.39 3ir5 s PRO 238 Cb 0.06 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.68 3ir5 s PRO 238 CO -0.01 -1.08 1.09 -1.83 0.04 0.00 0.00 177.00 175.21 3ir5 s GLU 239 N -4.18 2.17 0.41 4.56 -1.05 -0.68 -4.89 118.70 115.05 3ir5 s GLU 239 Ca 0.65 0.65 0.09 0.00 -0.15 0.00 0.00 54.97 56.20 3ir5 s GLU 239 Cb -0.18 -1.93 0.86 0.00 -0.44 0.00 0.00 34.13 32.44 3ir5 s GLU 239 CO 0.41 -1.56 2.01 0.66 0.95 0.00 0.00 175.26 177.73 3ir5 h SER 240 N -1.04 0.33 0.18 0.83 4.64 -1.57 -1.12 113.55 115.80 3ir5 h SER 240 Ca -0.47 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 60.80 3ir5 h SER 240 Cb 1.26 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3ir5 h SER 240 CO 0.59 0.33 -0.09 0.00 -0.87 0.00 0.00 176.83 176.79 3ir5 h ALA 241 N 1.72 1.54 0.00 5.18 0.00 -1.93 -1.04 119.26 124.73 3ir5 h ALA 241 Ca 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3ir5 h ALA 241 Cb 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ir5 h ALA 241 CO -0.01 0.12 -0.06 0.22 0.00 0.00 0.00 179.25 179.53 3ir5 h ASP 242 N 0.00 0.00 -0.37 0.00 3.58 -1.49 -1.64 116.42 116.50 3ir5 h ASP 242 Ca -0.00 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.47 3ir5 h ASP 242 Cb 0.21 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 3ir5 h ASP 242 CO 0.01 0.06 0.25 -0.50 -2.88 0.00 0.00 179.24 176.18 3ir5 h TRP 243 N 0.00 0.41 0.00 0.28 6.55 -1.27 -0.05 115.95 121.87 3ir5 h TRP 243 Ca -0.00 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.85 3ir5 h TRP 243 Cb 0.40 -0.14 0.00 0.00 -0.86 0.00 0.00 29.16 28.56 3ir5 h TRP 243 CO 0.00 0.25 0.00 0.98 -1.05 0.00 0.00 178.44 178.62 3ir5 n TYR 244 N -4.48 0.49 1.15 0.49 4.19 -0.62 -1.31 117.16 117.07 3ir5 n TYR 244 Ca 0.03 0.20 0.12 0.00 3.31 0.00 0.00 57.90 61.57 3ir5 n TYR 244 Cb 0.12 -0.83 0.22 0.00 0.49 0.00 0.00 39.34 39.34 3ir5 n TYR 244 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 3ir5 n ASN 245 N -1.95 2.32 -4.86 2.98 5.03 -0.04 -4.91 115.26 113.83 3ir5 n ASN 245 Ca 0.02 -1.72 -0.37 0.00 0.87 0.00 0.00 54.58 53.38 3ir5 n ASN 245 Cb 0.17 0.07 -0.06 0.00 -1.02 0.00 0.00 39.78 38.94 3ir5 n ASN 245 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3ir5 s SER 246 N -2.10 6.62 0.00 6.41 0.15 -0.43 -4.32 113.70 120.03 3ir5 s SER 246 Ca 0.29 0.74 0.16 0.00 0.70 0.00 0.00 55.95 57.84 3ir5 s SER 246 Cb 0.20 -2.16 0.22 0.00 -1.71 0.00 0.00 66.02 62.57 3ir5 s SER 246 CO 0.36 0.32 1.12 -1.54 1.20 0.00 0.00 173.24 174.70 3ir5 n SER 247 N 1.62 2.65 -3.36 5.45 3.41 -0.84 -4.75 113.62 117.79 3ir5 n SER 247 Ca -0.14 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 3ir5 n SER 247 Cb 0.53 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 3ir5 n SER 247 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3ir5 s TYR 248 N -1.27 -1.41 -0.01 7.33 5.04 -1.22 -3.06 117.35 122.76 3ir5 s TYR 248 Ca 0.23 1.82 0.05 0.00 -2.44 0.00 0.00 57.07 56.74 3ir5 s TYR 248 Cb 0.15 0.58 -0.01 0.00 0.35 0.00 0.00 41.96 43.03 3ir5 s TYR 248 CO 0.21 -0.77 -0.17 0.42 -1.34 0.00 0.00 175.55 173.90 3ir5 s ILE 249 N 2.83 1.35 -0.16 3.14 1.01 -0.54 -0.67 121.20 128.16 3ir5 s ILE 249 Ca 0.10 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 60.04 3ir5 s ILE 249 Cb -0.14 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.22 3ir5 s ILE 249 CO -0.19 0.38 -0.21 -0.63 0.00 0.00 0.00 174.94 174.29 3ir5 s ILE 250 N -0.41 2.05 -0.56 2.92 1.01 -0.68 -0.91 121.20 124.63 3ir5 s ILE 250 Ca 0.07 -0.96 -0.18 0.00 0.00 0.00 0.00 60.65 59.58 3ir5 s ILE 250 Cb -0.07 -1.83 0.11 0.00 0.01 0.00 0.00 42.46 40.68 3ir5 s ILE 250 CO -0.01 0.54 0.60 0.00 0.00 0.00 0.00 174.94 176.08 3ir5 s ALA 251 N 1.01 3.51 -0.40 9.38 0.00 0.18 -0.62 121.76 134.83 3ir5 s ALA 251 Ca -0.02 -2.30 -0.10 0.00 0.00 0.00 0.00 51.96 49.53 3ir5 s ALA 251 Cb -0.14 -3.39 0.05 0.00 0.00 0.00 0.00 23.12 19.64 3ir5 s ALA 251 CO -0.07 -2.16 0.24 -0.46 0.00 0.00 0.00 175.76 173.31 3ir5 s TRP 252 N 2.21 3.29 -1.47 0.00 -0.11 0.11 -1.19 118.94 121.77 3ir5 s TRP 252 Ca 0.08 -1.24 -0.03 0.00 1.22 0.00 0.00 56.10 56.13 3ir5 s TRP 252 Cb -0.26 -2.72 0.00 0.00 -1.50 0.00 0.00 33.47 28.99 3ir5 s TRP 252 CO 0.05 -0.76 0.43 0.41 -4.62 0.00 0.00 176.95 172.46 3ir5 n GLY 253 N 4.97 -0.41 2.73 5.86 0.00 -1.03 -3.04 105.19 114.27 3ir5 n GLY 253 Ca -0.11 0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 3ir5 n GLY 253 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ir5 s SER 254 N -2.60 2.47 -1.40 1.61 0.15 -1.26 -1.97 113.70 110.71 3ir5 s SER 254 Ca 0.21 -0.59 -0.08 0.00 0.70 0.00 0.00 55.95 56.20 3ir5 s SER 254 Cb -0.09 -0.51 0.07 0.00 -1.71 0.00 0.00 66.02 63.78 3ir5 s SER 254 CO 0.26 -0.28 2.44 -3.20 1.20 0.00 0.00 173.24 173.66 3ir5 n ASN 255 N 5.10 7.56 -0.23 5.45 5.15 -1.26 -4.86 115.26 132.17 3ir5 n ASN 255 Ca -0.08 -2.98 -0.06 0.00 -0.60 0.00 0.00 54.58 50.85 3ir5 n ASN 255 Cb 0.48 -1.44 -0.06 0.00 -0.53 0.00 0.00 39.78 38.23 3ir5 n ASN 255 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3ir5 n VAL 256 N 2.59 -0.38 0.29 3.44 0.31 -1.26 -0.43 118.33 122.89 3ir5 n VAL 256 Ca 0.62 1.45 0.17 0.00 -0.01 0.00 0.00 64.34 66.58 3ir5 n VAL 256 Cb 0.27 -1.81 0.97 0.00 -0.91 0.00 0.00 33.84 32.36 3ir5 n VAL 256 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3ir5 h PRO 257 N 0.00 0.00 0.00 5.55 0.13 -1.89 0.21 132.00 136.01 3ir5 h PRO 257 Ca 0.09 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.85 3ir5 h PRO 257 Cb 0.23 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.29 3ir5 h PRO 257 CO -0.52 0.00 -2.41 0.94 -0.23 0.00 0.00 178.00 175.78 3ir5 n GLN 258 N -3.61 0.68 0.00 0.86 7.27 0.43 -4.04 117.38 118.97 3ir5 n GLN 258 Ca -0.02 0.03 0.06 0.00 0.07 0.00 0.00 57.00 57.14 3ir5 n GLN 258 Cb 0.15 -1.52 0.05 0.00 2.41 0.00 0.00 30.24 31.32 3ir5 n GLN 258 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 3ir5 n THR 259 N -2.86 0.00 -2.64 1.69 -2.24 0.09 -4.52 114.28 103.80 3ir5 n THR 259 Ca -0.36 -0.49 -0.00 0.00 -2.27 0.00 0.00 64.05 60.93 3ir5 n THR 259 Cb 1.12 1.25 0.05 0.00 -2.10 0.00 0.00 70.33 70.65 3ir5 n THR 259 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3ir5 n ARG 260 N 0.61 1.07 -0.37 -0.78 3.00 0.74 -4.97 116.66 115.97 3ir5 n ARG 260 Ca 0.07 -2.47 -0.02 0.00 -0.00 0.00 0.00 57.85 55.43 3ir5 n ARG 260 Cb 0.31 -0.63 0.02 0.00 0.00 0.00 0.00 32.46 32.16 3ir5 n ARG 260 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 3ir5 n THR 261 N -0.45 -0.51 0.25 5.15 -1.04 -1.16 -0.68 114.28 115.83 3ir5 n THR 261 Ca -0.01 2.21 0.06 0.00 -2.04 0.00 0.00 64.05 64.27 3ir5 n THR 261 Cb 0.89 -2.90 0.30 0.00 -1.82 0.00 0.00 70.33 66.80 3ir5 n THR 261 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3ir5 n PRO 262 N -5.36 0.06 0.00 -2.82 -0.04 -1.23 -2.33 135.00 123.28 3ir5 n PRO 262 Ca 0.09 0.44 0.06 0.00 -0.04 0.00 0.00 63.50 64.05 3ir5 n PRO 262 Cb 0.36 -1.66 -0.04 0.00 -0.04 0.00 0.00 33.50 32.12 3ir5 n PRO 262 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3ir5 n ASP 263 N -1.78 0.88 -0.15 3.54 8.00 0.14 -4.56 116.55 122.62 3ir5 n ASP 263 Ca 0.01 -0.94 0.17 0.00 0.71 0.00 0.00 54.79 54.75 3ir5 n ASP 263 Cb 0.10 0.80 0.55 0.00 -0.02 0.00 0.00 41.12 42.54 3ir5 n ASP 263 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ir5 h ALA 264 N 1.88 2.24 -0.04 2.24 0.00 -1.01 -1.20 119.26 123.36 3ir5 h ALA 264 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ir5 h ALA 264 Cb 0.34 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ir5 h ALA 264 CO 0.00 -0.44 0.03 1.12 0.00 0.00 0.00 179.25 179.95 3ir5 h HIS 265 N 0.32 0.02 -0.09 0.00 2.07 -1.82 0.70 115.15 116.34 3ir5 h HIS 265 Ca 0.36 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.83 3ir5 h HIS 265 Cb 0.97 -0.01 -0.01 0.00 2.57 0.00 0.00 27.41 30.93 3ir5 h HIS 265 CO -0.00 0.01 -0.18 0.74 -3.07 0.00 0.00 177.93 175.43 3ir5 h PHE 266 N 0.02 0.16 0.03 6.12 -1.00 -1.56 0.32 116.94 121.03 3ir5 h PHE 266 Ca 0.02 -0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.70 3ir5 h PHE 266 Cb 0.04 -0.04 0.01 0.00 3.61 0.00 0.00 35.95 39.56 3ir5 h PHE 266 CO -0.00 0.33 -0.31 0.35 -1.61 0.00 0.00 178.31 177.07 3ir5 h PHE 267 N 0.14 0.25 -0.01 -0.55 3.04 -1.02 -2.44 116.94 116.36 3ir5 h PHE 267 Ca 0.03 -0.16 -0.11 0.00 3.98 0.00 0.00 57.97 61.71 3ir5 h PHE 267 Cb 0.40 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.88 3ir5 h PHE 267 CO 0.00 1.04 -0.51 1.79 -2.02 0.00 0.00 178.31 178.62 3ir5 h THR 268 N -0.61 1.36 0.16 4.41 1.35 -1.02 -3.21 112.91 115.36 3ir5 h THR 268 Ca -0.05 -1.75 -0.29 0.00 -0.55 0.00 0.00 66.41 63.77 3ir5 h THR 268 Cb 1.15 1.93 0.01 0.00 -1.73 0.00 0.00 68.15 69.51 3ir5 h THR 268 CO 0.06 0.50 -1.32 -0.33 -0.25 0.00 0.00 175.52 174.18 3ir5 h GLU 269 N 0.02 0.34 0.00 4.72 5.08 -0.46 -3.26 114.58 121.02 3ir5 h GLU 269 Ca -0.00 -0.59 -0.01 0.00 -1.00 0.00 0.00 59.36 57.76 3ir5 h GLU 269 Cb 0.91 0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 3ir5 h GLU 269 CO 0.07 1.28 -0.07 -0.24 -1.00 0.00 0.00 179.01 179.04 3ir5 h VAL 270 N 0.09 0.42 -0.62 3.13 3.04 -1.44 -0.98 116.25 119.90 3ir5 h VAL 270 Ca -0.17 -0.35 0.02 0.00 -1.01 0.00 0.00 66.70 65.18 3ir5 h VAL 270 Cb 2.03 1.24 -0.03 0.00 -2.01 0.00 0.00 31.29 32.52 3ir5 h VAL 270 CO 0.22 0.07 0.41 0.03 -1.01 0.00 0.00 177.57 177.29 3ir5 h ARG 271 N 0.00 0.78 0.00 4.17 3.08 -1.59 -0.30 114.38 120.52 3ir5 h ARG 271 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3ir5 h ARG 271 Cb 0.24 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3ir5 h ARG 271 CO 0.01 0.52 0.00 0.66 -1.07 0.00 0.00 179.97 180.08 3ir5 n TYR 272 N -4.45 0.62 1.38 3.04 4.01 -0.37 -1.88 117.16 119.50 3ir5 n TYR 272 Ca 0.07 0.25 0.12 0.00 -0.16 0.00 0.00 57.90 58.17 3ir5 n TYR 272 Cb 0.07 -0.90 0.46 0.00 -0.31 0.00 0.00 39.34 38.66 3ir5 n TYR 272 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3ir5 n LYS 273 N -2.06 1.67 0.00 -0.72 4.81 -0.13 -4.90 118.16 116.83 3ir5 n LYS 273 Ca 0.02 -0.99 0.00 0.00 -0.87 0.00 0.00 58.31 56.47 3ir5 n LYS 273 Cb 0.21 -1.43 0.00 0.00 0.02 0.00 0.00 35.03 33.82 3ir5 n LYS 273 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ir5 n GLY 274 N 1.14 0.35 3.72 3.14 0.00 -0.79 -5.07 105.19 107.69 3ir5 n GLY 274 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3ir5 n GLY 274 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ir5 s THR 275 N -2.00 2.99 0.03 2.61 2.01 -1.19 -4.98 115.64 115.10 3ir5 s THR 275 Ca 0.00 0.72 -0.18 0.00 0.31 0.00 0.00 61.69 62.54 3ir5 s THR 275 Cb 0.00 -3.46 -0.06 0.00 0.01 0.00 0.00 72.50 68.99 3ir5 s THR 275 CO 0.00 0.06 0.52 -0.75 -0.69 0.00 0.00 174.62 173.77 3ir5 s LYS 276 N 0.91 4.15 -0.01 4.92 2.20 -1.17 -4.44 119.74 126.31 3ir5 s LYS 276 Ca 0.66 0.63 0.07 0.00 -0.36 0.00 0.00 55.97 56.97 3ir5 s LYS 276 Cb -0.40 -3.26 -0.02 0.00 -1.51 0.00 0.00 37.83 32.64 3ir5 s LYS 276 CO 0.32 0.58 -0.22 0.95 -0.36 0.00 0.00 175.35 176.62 3ir5 s THR 277 N -0.83 1.75 -0.06 3.43 -4.23 -1.26 -1.47 115.64 112.97 3ir5 s THR 277 Ca 0.28 -0.99 0.02 0.00 -1.18 0.00 0.00 61.69 59.81 3ir5 s THR 277 Cb -0.18 -1.46 0.02 0.00 1.34 0.00 0.00 72.50 72.21 3ir5 s THR 277 CO 0.17 0.46 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.92 3ir5 s VAL 278 N -0.56 0.94 -0.18 2.29 1.01 -0.09 -0.52 120.40 123.29 3ir5 s VAL 278 Ca 0.09 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 3ir5 s VAL 278 Cb -0.09 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 3ir5 s VAL 278 CO -0.00 0.31 0.10 0.00 0.00 0.00 0.00 175.10 175.51 3ir5 s ALA 279 N 0.83 3.57 -0.40 5.51 0.00 -0.39 0.52 121.76 131.39 3ir5 s ALA 279 Ca -0.12 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.16 3ir5 s ALA 279 Cb -0.15 -2.02 0.11 0.00 0.00 0.00 0.00 23.12 21.06 3ir5 s ALA 279 CO 0.02 0.22 0.13 0.08 0.00 0.00 0.00 175.76 176.21 3ir5 s VAL 280 N 0.21 2.22 -0.05 0.00 1.01 -0.33 -0.95 120.40 122.51 3ir5 s VAL 280 Ca 0.07 -2.61 -0.05 0.00 0.00 0.00 0.00 61.98 59.39 3ir5 s VAL 280 Cb -0.12 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.67 3ir5 s VAL 280 CO -0.00 -0.69 0.14 0.42 0.00 0.00 0.00 175.10 174.96 3ir5 s THR 281 N 0.53 0.01 0.44 3.92 -4.23 -0.69 -2.47 115.64 113.14 3ir5 s THR 281 Ca 0.13 -0.05 0.14 0.00 -1.18 0.00 0.00 61.69 60.73 3ir5 s THR 281 Cb -0.21 -0.22 0.18 0.00 1.34 0.00 0.00 72.50 73.59 3ir5 s THR 281 CO -0.06 -0.03 1.98 1.55 -0.54 0.00 0.00 174.62 177.52 3ir5 h PRO 282 N 5.82 0.01 -6.16 3.99 0.13 -1.82 -3.36 132.00 130.62 3ir5 h PRO 282 Ca -0.25 -0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.34 3ir5 h PRO 282 Cb 1.20 -0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 3ir5 h PRO 282 CO 0.42 0.21 -0.54 0.16 -0.23 0.00 0.00 178.00 178.01 3ir5 s ASP 283 N -6.99 4.94 -1.20 1.44 3.84 -1.26 -4.61 116.67 112.83 3ir5 s ASP 283 Ca -0.04 -0.58 -0.19 0.00 -0.00 0.00 0.00 52.55 51.74 3ir5 s ASP 283 Cb 0.16 -0.94 0.07 0.00 -1.38 0.00 0.00 42.92 40.83 3ir5 s ASP 283 CO 0.70 -0.19 1.61 -0.47 -0.00 0.00 0.00 175.17 176.83 3ir5 s TYR 284 N -2.32 2.76 0.72 2.11 6.14 -1.01 -4.94 117.35 120.81 3ir5 s TYR 284 Ca 0.36 -1.42 -0.11 0.00 0.64 0.00 0.00 57.07 56.54 3ir5 s TYR 284 Cb -0.05 -4.70 0.02 0.00 0.42 0.00 0.00 41.96 37.65 3ir5 s TYR 284 CO 0.23 -1.81 1.10 0.00 0.64 0.00 0.00 175.55 175.71 3ir5 s ALA 285 N 4.23 2.82 0.29 3.97 0.00 -1.26 -4.93 121.76 126.88 3ir5 s ALA 285 Ca 0.50 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 52.16 3ir5 s ALA 285 Cb 0.02 -3.03 0.66 0.00 0.00 0.00 0.00 23.12 20.77 3ir5 s ALA 285 CO 0.02 -1.22 1.80 0.93 0.00 0.00 0.00 175.76 177.28 3ir5 h GLU 286 N -0.72 0.81 -0.67 0.00 5.08 -1.95 -0.08 114.58 117.05 3ir5 h GLU 286 Ca -0.45 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 57.96 3ir5 h GLU 286 Cb 1.26 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.28 3ir5 h GLU 286 CO 0.63 0.54 0.44 0.97 -1.00 0.00 0.00 179.01 180.59 3ir5 h ILE 287 N 0.83 0.90 -0.80 3.13 6.09 -1.89 -1.22 117.51 124.56 3ir5 h ILE 287 Ca 0.54 -0.17 -0.00 0.00 -1.37 0.00 0.00 64.86 63.86 3ir5 h ILE 287 Cb 0.74 0.36 -0.04 0.00 0.47 0.00 0.00 36.82 38.34 3ir5 h ILE 287 CO -0.34 0.09 0.50 0.00 -3.07 0.00 0.00 178.15 175.33 3ir5 h ALA 288 N 1.66 1.36 -0.42 0.18 0.00 -1.36 -2.17 119.26 118.52 3ir5 h ALA 288 Ca 0.31 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.26 3ir5 h ALA 288 Cb 0.54 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3ir5 h ALA 288 CO -0.10 0.56 0.42 -0.22 0.00 0.00 0.00 179.25 179.91 3ir5 h LYS 289 N 1.10 0.00 -0.25 0.00 3.11 -1.25 -1.67 116.57 117.62 3ir5 h LYS 289 Ca 0.29 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.13 3ir5 h LYS 289 Cb -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.16 3ir5 h LYS 289 CO -0.06 0.00 0.00 1.28 -2.81 0.00 0.00 179.45 177.86 3ir5 n LEU 290 N -3.80 3.09 -4.91 5.20 4.77 -0.82 -5.02 117.00 115.51 3ir5 n LEU 290 Ca 0.07 -1.36 -0.21 0.00 -0.03 0.00 0.00 56.01 54.48 3ir5 n LEU 290 Cb 0.60 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 3ir5 n LEU 290 CO 0.29 0.64 0.06 0.00 -1.33 0.00 0.00 177.39 177.04 3ir5 n ASP 292 N -1.69 0.76 -3.77 0.00 8.00 0.32 -4.90 116.55 115.28 3ir5 n ASP 292 Ca 0.05 0.20 -0.13 0.00 0.71 0.00 0.00 54.79 55.62 3ir5 n ASP 292 Cb 0.62 0.46 -0.11 0.00 -0.02 0.00 0.00 41.12 42.06 3ir5 n ASP 292 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3ir5 s LEU 293 N -4.89 0.86 -0.24 0.64 2.96 -1.17 -5.04 118.68 111.81 3ir5 s LEU 293 Ca 0.01 0.58 -0.00 0.00 -0.22 0.00 0.00 54.13 54.50 3ir5 s LEU 293 Cb 0.11 0.97 0.03 0.00 0.50 0.00 0.00 46.19 47.80 3ir5 s LEU 293 CO 0.78 -0.10 -0.10 0.86 -1.32 0.00 0.00 176.35 176.46 3ir5 s TRP 294 N 0.25 3.05 -0.14 5.38 -0.00 -1.26 -1.26 118.94 124.95 3ir5 s TRP 294 Ca -0.01 -1.75 -0.04 0.00 -0.00 0.00 0.00 56.10 54.30 3ir5 s TRP 294 Cb -0.03 -2.00 -0.03 0.00 -0.00 0.00 0.00 33.47 31.41 3ir5 s TRP 294 CO -0.00 -0.78 -0.02 -0.51 -0.00 0.00 0.00 176.95 175.63 3ir5 s LEU 295 N 1.27 3.38 -0.66 5.86 1.43 -0.12 -5.01 118.68 124.82 3ir5 s LEU 295 Ca -0.01 -0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.09 3ir5 s LEU 295 Cb -0.17 -1.81 0.19 0.00 0.03 0.00 0.00 46.19 44.43 3ir5 s LEU 295 CO -0.06 0.21 0.54 0.00 0.23 0.00 0.00 176.35 177.27 3ir5 n ALA 296 N 3.26 3.49 -1.56 4.21 0.00 -1.26 -1.71 120.51 126.94 3ir5 n ALA 296 Ca -0.17 -4.43 -0.32 0.00 0.00 0.00 0.00 53.44 48.51 3ir5 n ALA 296 Cb 0.53 -0.97 0.04 0.00 0.00 0.00 0.00 19.45 19.04 3ir5 n ALA 296 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ir5 s PRO 297 N -1.56 2.99 0.23 0.00 0.04 -1.26 -4.80 135.00 130.63 3ir5 s PRO 297 Ca 0.29 1.14 -0.31 0.00 0.04 0.00 0.00 61.00 62.16 3ir5 s PRO 297 Cb 0.01 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.45 3ir5 s PRO 297 CO -0.14 -1.07 1.62 0.21 0.04 0.00 0.00 177.00 177.66 3ir5 s LYS 298 N -4.52 4.16 0.30 4.56 2.47 -0.51 -4.06 119.74 122.14 3ir5 s LYS 298 Ca 0.62 2.52 -0.28 0.00 -1.56 0.00 0.00 55.97 57.26 3ir5 s LYS 298 Cb -0.16 -3.08 -0.14 0.00 -1.46 0.00 0.00 37.83 33.00 3ir5 s LYS 298 CO 0.46 -0.65 1.13 0.00 0.16 0.00 0.00 175.35 176.45 3ir5 n GLN 299 N 3.23 1.63 -0.44 4.03 0.00 -1.26 -1.91 117.38 122.66 3ir5 n GLN 299 Ca 0.12 0.57 0.00 0.00 0.00 0.00 0.00 57.00 57.69 3ir5 n GLN 299 Cb 0.37 -2.03 0.00 0.00 0.00 0.00 0.00 30.24 28.58 3ir5 n GLN 299 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ir5 n GLY 300 N 1.17 1.69 1.04 2.61 0.00 -1.26 -4.87 105.19 105.57 3ir5 n GLY 300 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.19 3ir5 n GLY 300 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ir5 n THR 301 N -2.00 1.15 -0.36 2.61 -2.24 -0.80 -4.51 114.28 108.13 3ir5 n THR 301 Ca 0.00 -1.06 0.07 0.00 -2.27 0.00 0.00 64.05 60.79 3ir5 n THR 301 Cb 0.00 0.42 0.24 0.00 -2.10 0.00 0.00 70.33 68.89 3ir5 n THR 301 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3ir5 h ASP 302 N 3.15 0.90 -0.96 3.42 3.32 -1.90 -1.93 116.42 122.43 3ir5 h ASP 302 Ca 0.00 0.05 0.19 0.00 0.02 0.00 0.00 57.03 57.29 3ir5 h ASP 302 Cb 0.95 -0.13 -0.09 0.00 0.22 0.00 0.00 39.33 40.28 3ir5 h ASP 302 CO 0.04 0.47 0.61 0.00 -1.72 0.00 0.00 179.24 178.64 3ir5 h ALA 303 N 1.54 1.88 -0.48 3.45 0.00 -1.85 -0.15 119.26 123.65 3ir5 h ALA 303 Ca 0.49 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.49 3ir5 h ALA 303 Cb 0.50 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3ir5 h ALA 303 CO -0.27 -0.20 0.24 0.00 0.00 0.00 0.00 179.25 179.02 3ir5 h ALA 304 N 1.62 0.61 -0.57 0.00 0.00 -1.72 -0.15 119.26 119.04 3ir5 h ALA 304 Ca 0.52 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.39 3ir5 h ALA 304 Cb 0.95 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3ir5 h ALA 304 CO -0.28 -0.12 0.09 1.98 0.00 0.00 0.00 179.25 180.93 3ir5 h MET 305 N 0.46 0.94 -0.04 0.00 -1.53 -1.14 -2.23 114.93 111.40 3ir5 h MET 305 Ca 0.21 -0.25 0.01 0.00 -3.44 0.00 0.00 59.70 56.23 3ir5 h MET 305 Cb 0.13 -0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 31.06 3ir5 h MET 305 CO -0.16 0.90 -0.03 0.00 0.14 0.00 0.00 176.91 177.76 3ir5 h ALA 306 N 1.00 0.01 -0.50 0.39 0.00 -0.71 -0.30 119.26 119.15 3ir5 h ALA 306 Ca 0.17 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.15 3ir5 h ALA 306 Cb 0.41 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 3ir5 h ALA 306 CO 0.01 -0.51 0.24 -0.07 0.00 0.00 0.00 179.25 178.92 3ir5 h LEU 307 N -0.04 0.33 -0.70 0.00 3.38 -0.95 0.23 115.31 117.57 3ir5 h LEU 307 Ca 0.03 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3ir5 h LEU 307 Cb 0.08 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3ir5 h LEU 307 CO -0.06 0.23 0.35 0.00 0.09 0.00 0.00 178.44 179.05 3ir5 h ALA 308 N 1.28 0.90 -0.56 1.53 0.00 -1.13 0.45 119.26 121.74 3ir5 h ALA 308 Ca 0.23 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3ir5 h ALA 308 Cb 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3ir5 h ALA 308 CO -0.17 0.45 -0.03 0.52 0.00 0.00 0.00 179.25 180.01 3ir5 h MET 309 N 0.97 1.00 -0.40 0.00 2.86 -0.45 -2.34 114.93 116.58 3ir5 h MET 309 Ca 0.24 -0.34 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 3ir5 h MET 309 Cb 0.09 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 3ir5 h MET 309 CO -0.03 1.02 0.05 0.78 1.06 0.00 0.00 176.91 179.78 3ir5 h GLY 310 N 0.89 0.65 0.64 8.32 0.00 -0.12 -2.59 103.07 110.86 3ir5 h GLY 310 Ca 0.15 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.12 3ir5 h GLY 310 CO 0.04 0.35 -0.28 0.84 0.00 0.00 0.00 176.54 177.48 3ir5 h HIS 311 N 0.59 -0.76 -0.35 5.60 6.17 -0.39 -1.63 115.15 124.38 3ir5 h HIS 311 Ca 0.13 0.01 0.04 0.00 0.71 0.00 0.00 60.37 61.25 3ir5 h HIS 311 Cb 0.30 0.30 -0.04 0.00 2.52 0.00 0.00 27.41 30.49 3ir5 h HIS 311 CO 0.01 -0.40 0.13 0.28 0.71 0.00 0.00 177.93 178.66 3ir5 h VAL 312 N -0.57 0.91 -0.45 5.26 2.07 -1.34 -1.44 116.25 120.69 3ir5 h VAL 312 Ca -0.00 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.48 3ir5 h VAL 312 Cb 0.54 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 3ir5 h VAL 312 CO -0.08 0.05 0.16 0.24 0.02 0.00 0.00 177.57 177.95 3ir5 h MET 313 N 0.28 0.31 -0.19 1.57 2.86 -1.25 0.20 114.93 118.72 3ir5 h MET 313 Ca 0.16 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 3ir5 h MET 313 Cb 0.12 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3ir5 h MET 313 CO -0.15 0.21 0.07 -0.07 1.06 0.00 0.00 176.91 178.02 3ir5 h LEU 314 N 0.32 0.28 0.08 1.22 3.38 -1.03 0.52 115.31 120.08 3ir5 h LEU 314 Ca 0.21 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3ir5 h LEU 314 Cb 0.21 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3ir5 h LEU 314 CO -0.22 0.39 -0.20 -0.09 0.09 0.00 0.00 178.44 178.42 3ir5 h ARG 315 N 0.15 -0.35 0.00 1.13 9.65 -0.80 -0.44 114.38 123.71 3ir5 h ARG 315 Ca 0.06 0.02 -0.20 0.00 -1.10 0.00 0.00 59.98 58.76 3ir5 h ARG 315 Cb 0.21 0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.83 3ir5 h ARG 315 CO -0.00 -0.23 -1.25 0.93 2.80 0.00 0.00 179.97 182.21 3ir5 h GLU 316 N -0.36 0.00 -0.01 0.20 5.08 -0.57 -0.51 114.58 118.41 3ir5 h GLU 316 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3ir5 h GLU 316 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3ir5 h GLU 316 CO -0.13 0.54 -0.05 1.19 -1.00 0.00 0.00 179.01 179.57 3ir5 n PHE 317 N -3.09 0.00 0.00 4.33 3.72 0.18 -3.10 117.46 119.49 3ir5 n PHE 317 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3ir5 n PHE 317 Cb 0.91 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 3ir5 n PHE 317 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3ir5 n HIS 318 N 0.37 0.00 0.00 1.38 8.25 -0.68 -1.13 115.22 123.41 3ir5 n HIS 318 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 3ir5 n HIS 318 Cb 0.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 3ir5 n HIS 318 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ir5 n LEU 319 N -2.03 0.01 -0.04 2.41 4.32 -0.26 -4.24 117.00 117.17 3ir5 n LEU 319 Ca 0.00 0.01 -0.09 0.00 -0.02 0.00 0.00 56.01 55.91 3ir5 n LEU 319 Cb 0.39 -0.40 -0.03 0.00 -1.62 0.00 0.00 43.42 41.77 3ir5 n LEU 319 CO 0.00 -0.40 0.86 0.44 -1.22 0.00 0.00 177.39 177.07 3ir5 h ASP 320 N 0.00 -0.07 -2.56 -1.43 3.45 -1.31 -3.32 116.42 111.17 3ir5 h ASP 320 Ca 0.00 0.04 -0.60 0.00 0.43 0.00 0.00 57.03 56.90 3ir5 h ASP 320 Cb 0.00 0.07 -0.40 0.00 -0.56 0.00 0.00 39.33 38.44 3ir5 h ASP 320 CO 0.00 -0.01 -0.80 -3.20 -1.57 0.00 0.00 179.24 173.66 3ir5 n ASN 321 N -5.13 1.35 -4.71 6.45 5.15 -1.18 -5.07 115.26 112.12 3ir5 n ASN 321 Ca -0.03 -2.84 -0.61 0.00 -0.60 0.00 0.00 54.58 50.50 3ir5 n ASN 321 Cb 0.10 -0.65 -0.08 0.00 -0.53 0.00 0.00 39.78 38.62 3ir5 n ASN 321 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3ir5 n PRO 322 N 2.12 0.71 -2.73 1.20 -0.04 -1.25 -4.38 135.00 130.63 3ir5 n PRO 322 Ca 0.25 0.26 -0.42 0.00 -0.04 0.00 0.00 63.50 63.55 3ir5 n PRO 322 Cb 0.43 -1.88 -0.03 0.00 -0.04 0.00 0.00 33.50 31.98 3ir5 n PRO 322 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3ir5 s SER 323 N 3.53 7.17 0.29 3.54 0.15 -0.28 -4.93 113.70 123.17 3ir5 s SER 323 Ca 1.02 1.44 -0.01 0.00 0.70 0.00 0.00 55.95 59.10 3ir5 s SER 323 Cb -1.23 -2.53 0.44 0.00 -1.71 0.00 0.00 66.02 60.99 3ir5 s SER 323 CO 0.71 -0.45 1.88 -0.61 1.20 0.00 0.00 173.24 175.98 3ir5 h GLN 324 N 7.16 0.88 -0.10 5.44 4.15 -1.90 -0.73 115.11 130.01 3ir5 h GLN 324 Ca -0.30 -0.13 -0.04 0.00 0.77 0.00 0.00 58.65 58.94 3ir5 h GLN 324 Cb 1.14 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.67 3ir5 h GLN 324 CO 0.86 0.71 -0.11 -0.92 -1.93 0.00 0.00 178.83 177.44 3ir5 h TYR 325 N 0.87 0.31 -0.54 3.99 3.20 -1.93 -2.90 116.97 119.96 3ir5 h TYR 325 Ca 0.21 -0.09 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 3ir5 h TYR 325 Cb 0.15 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3ir5 h TYR 325 CO 0.01 0.69 0.16 0.74 -1.64 0.00 0.00 178.16 178.12 3ir5 h PHE 326 N -0.16 0.88 0.16 -3.82 0.05 -1.84 -1.75 116.94 110.46 3ir5 h PHE 326 Ca 0.01 -0.09 0.00 0.00 3.82 0.00 0.00 57.97 61.71 3ir5 h PHE 326 Cb 0.64 -0.25 -0.01 0.00 2.00 0.00 0.00 35.95 38.33 3ir5 h PHE 326 CO 0.09 0.75 -0.13 1.15 -0.18 0.00 0.00 178.31 180.00 3ir5 h THR 327 N 0.76 0.72 -0.42 -1.55 2.02 -1.19 -0.65 112.91 112.59 3ir5 h THR 327 Ca 0.17 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.31 3ir5 h THR 327 Cb 0.29 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3ir5 h THR 327 CO -0.00 0.00 0.06 -0.78 0.37 0.00 0.00 175.52 175.17 3ir5 h ASP 328 N -0.30 0.60 -0.08 4.18 3.58 -1.51 -1.81 116.42 121.08 3ir5 h ASP 328 Ca -0.00 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 3ir5 h ASP 328 Cb 0.27 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 3ir5 h ASP 328 CO -0.02 0.63 0.02 0.22 -2.88 0.00 0.00 179.24 177.22 3ir5 h TYR 329 N 0.62 0.13 0.00 0.28 5.03 -0.90 -1.52 116.97 120.62 3ir5 h TYR 329 Ca 0.14 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.39 3ir5 h TYR 329 Cb 0.30 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.54 3ir5 h TYR 329 CO 0.01 0.29 -0.23 -0.39 -1.32 0.00 0.00 178.16 176.52 3ir5 h VAL 330 N -0.07 0.53 -0.05 1.81 -1.51 -1.06 -0.91 116.25 114.99 3ir5 h VAL 330 Ca 0.02 -1.18 -0.02 0.00 -1.23 0.00 0.00 66.70 64.29 3ir5 h VAL 330 Cb 0.22 1.82 -0.00 0.00 -2.13 0.00 0.00 31.29 31.21 3ir5 h VAL 330 CO -0.00 0.22 -0.04 -0.09 -1.23 0.00 0.00 177.57 176.43 3ir5 h ARG 331 N 0.00 0.12 0.00 5.19 2.43 -1.12 -2.75 114.38 118.26 3ir5 h ARG 331 Ca -0.00 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 3ir5 h ARG 331 Cb 0.81 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3ir5 h ARG 331 CO 0.03 0.55 -0.65 0.00 -1.51 0.00 0.00 179.97 178.39 3ir5 h ARG 332 N -0.30 0.00 -0.00 0.20 3.08 -1.26 -3.40 114.38 112.70 3ir5 h ARG 332 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3ir5 h ARG 332 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3ir5 h ARG 332 CO 0.01 0.07 0.00 0.66 -1.07 0.00 0.00 179.97 179.64 3ir5 n TYR 333 N -2.89 0.00 -4.58 3.04 0.53 -0.35 -5.02 117.16 107.89 3ir5 n TYR 333 Ca 0.01 -0.00 -0.27 0.00 -1.02 0.00 0.00 57.90 56.62 3ir5 n TYR 333 Cb 0.59 -0.00 -0.10 0.00 -1.03 0.00 0.00 39.34 38.80 3ir5 n TYR 333 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 3ir5 s THR 334 N -0.28 1.45 -0.87 -0.72 -4.23 -1.04 -1.39 115.64 108.56 3ir5 s THR 334 Ca 0.04 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.65 3ir5 s THR 334 Cb 0.03 -2.72 0.51 0.00 1.34 0.00 0.00 72.50 71.65 3ir5 s THR 334 CO 0.04 0.00 1.32 -0.90 -0.54 0.00 0.00 174.62 174.54 3ir5 n ASP 335 N -0.97 3.71 -0.20 3.99 5.75 -1.06 -4.48 116.55 123.30 3ir5 n ASP 335 Ca -0.07 -2.46 -0.04 0.00 -0.01 0.00 0.00 54.79 52.22 3ir5 n ASP 335 Cb 0.67 -0.55 0.07 0.00 -1.03 0.00 0.00 41.12 40.27 3ir5 n ASP 335 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 3ir5 h MET 336 N 2.64 0.62 0.00 0.11 2.86 -1.86 -1.63 114.93 117.67 3ir5 h MET 336 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3ir5 h MET 336 Cb 1.26 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.78 3ir5 h MET 336 CO 0.24 0.41 0.00 -0.35 1.06 0.00 0.00 176.91 178.28 3ir5 n PRO 337 N -4.80 0.20 -2.18 -0.22 -0.04 -1.26 -1.05 135.00 125.65 3ir5 n PRO 337 Ca 0.06 0.10 -0.37 0.00 -0.04 0.00 0.00 63.50 63.26 3ir5 n PRO 337 Cb 0.12 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 3ir5 n PRO 337 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3ir5 s MET 338 N -2.71 3.58 -0.13 0.54 -1.94 -0.61 -4.25 119.30 113.79 3ir5 s MET 338 Ca 0.17 1.81 -0.23 0.00 -1.71 0.00 0.00 55.69 55.73 3ir5 s MET 338 Cb 0.14 -2.31 -0.03 0.00 2.01 0.00 0.00 34.83 34.64 3ir5 s MET 338 CO 0.34 -0.71 0.71 -0.51 -0.01 0.00 0.00 175.02 174.84 3ir5 s LEU 339 N -3.25 4.24 -0.14 -0.03 1.43 0.23 -2.30 118.68 118.86 3ir5 s LEU 339 Ca 0.67 1.09 -0.03 0.00 -1.03 0.00 0.00 54.13 54.82 3ir5 s LEU 339 Cb -0.30 -3.06 -0.03 0.00 0.03 0.00 0.00 46.19 42.83 3ir5 s LEU 339 CO 0.35 -0.22 -0.02 -0.69 0.23 0.00 0.00 176.35 176.00 3ir5 s VAL 340 N 1.40 4.08 0.07 -1.59 1.01 0.12 0.16 120.40 125.64 3ir5 s VAL 340 Ca 0.35 -0.30 -0.25 0.00 0.00 0.00 0.00 61.98 61.78 3ir5 s VAL 340 Cb -0.17 -2.77 -0.06 0.00 0.00 0.00 0.00 36.38 33.38 3ir5 s VAL 340 CO 0.15 0.52 0.78 -0.04 0.00 0.00 0.00 175.10 176.51 3ir5 s MET 341 N 0.02 4.52 0.01 2.72 -1.94 -0.21 -1.13 119.30 123.28 3ir5 s MET 341 Ca 0.01 1.11 -0.16 0.00 -1.71 0.00 0.00 55.69 54.94 3ir5 s MET 341 Cb -0.13 -3.34 -0.06 0.00 2.01 0.00 0.00 34.83 33.31 3ir5 s MET 341 CO 0.02 0.33 0.45 -0.51 -0.01 0.00 0.00 175.02 175.30 3ir5 s LEU 342 N -0.26 4.47 -0.14 -0.03 1.43 0.18 0.42 118.68 124.77 3ir5 s LEU 342 Ca 0.39 1.02 -0.04 0.00 -1.03 0.00 0.00 54.13 54.46 3ir5 s LEU 342 Cb -0.21 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.32 3ir5 s LEU 342 CO 0.24 0.29 0.02 -1.61 0.23 0.00 0.00 176.35 175.53 3ir5 s GLU 343 N -0.97 3.50 0.11 1.70 2.02 0.47 -4.53 118.70 121.00 3ir5 s GLU 343 Ca 0.25 -0.39 -0.31 0.00 0.02 0.00 0.00 54.97 54.54 3ir5 s GLU 343 Cb -0.17 -2.99 -0.08 0.00 0.10 0.00 0.00 34.13 30.99 3ir5 s GLU 343 CO 0.14 0.47 1.41 -1.21 0.02 0.00 0.00 175.26 176.09 3ir5 s GLU 344 N -0.21 4.31 0.00 1.61 2.02 -1.26 -1.56 118.70 123.60 3ir5 s GLU 344 Ca 0.06 2.10 0.00 0.00 0.02 0.00 0.00 54.97 57.15 3ir5 s GLU 344 Cb -0.12 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.83 3ir5 s GLU 344 CO 0.02 -0.47 0.00 0.54 0.02 0.00 0.00 175.26 175.37 3ir5 n ARG 345 N 4.11 3.29 -3.92 1.61 5.12 -0.76 -4.91 116.66 121.21 3ir5 n ARG 345 Ca 0.12 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.75 3ir5 n ARG 345 Cb 0.42 0.00 -0.13 0.00 -1.16 0.00 0.00 32.46 31.59 3ir5 n ARG 345 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3ir5 s ASP 346 N 0.89 4.62 0.00 0.55 3.68 -1.26 -4.65 116.67 120.50 3ir5 s ASP 346 Ca 0.00 -3.49 0.00 0.00 2.13 0.00 0.00 52.55 51.19 3ir5 s ASP 346 Cb 0.00 -1.64 0.00 0.00 -1.45 0.00 0.00 42.92 39.83 3ir5 s ASP 346 CO 0.00 -0.15 0.00 0.61 0.13 0.00 0.00 175.17 175.76 3ir5 n GLY 347 N 2.47 0.25 3.76 2.66 0.00 -1.26 -5.03 105.19 108.04 3ir5 n GLY 347 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 3ir5 n GLY 347 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ir5 s TYR 348 N -2.00 -0.13 0.27 1.61 1.13 -1.26 -4.93 117.35 112.03 3ir5 s TYR 348 Ca 0.00 -0.29 0.09 0.00 -1.41 0.00 0.00 57.07 55.46 3ir5 s TYR 348 Cb 0.00 0.60 -0.04 0.00 -1.10 0.00 0.00 41.96 41.41 3ir5 s TYR 348 CO 0.00 -1.15 0.05 0.71 -2.51 0.00 0.00 175.55 172.65 3ir5 s TYR 349 N -3.92 2.79 0.04 -3.49 2.02 0.08 -1.82 117.35 113.05 3ir5 s TYR 349 Ca 0.12 -0.21 0.07 0.00 -0.37 0.00 0.00 57.07 56.68 3ir5 s TYR 349 Cb -0.04 -1.27 -0.02 0.00 -0.40 0.00 0.00 41.96 40.22 3ir5 s TYR 349 CO 0.05 0.58 -0.21 0.00 -1.57 0.00 0.00 175.55 174.40 3ir5 s ALA 350 N -2.29 1.77 0.05 3.71 0.00 -0.60 -0.36 121.76 124.03 3ir5 s ALA 350 Ca 0.32 -1.04 -0.30 0.00 0.00 0.00 0.00 51.96 50.93 3ir5 s ALA 350 Cb -0.06 -0.36 -0.08 0.00 0.00 0.00 0.00 23.12 22.62 3ir5 s ALA 350 CO 0.21 0.40 1.61 0.00 0.00 0.00 0.00 175.76 177.98 3ir5 s ALA 351 N -0.76 3.66 0.00 0.00 0.00 -1.26 -0.39 121.76 123.00 3ir5 s ALA 351 Ca 0.08 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.17 3ir5 s ALA 351 Cb -0.09 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.35 3ir5 s ALA 351 CO 0.01 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.09 3ir5 n GLY 352 N 3.94 2.83 3.73 0.00 0.00 0.17 -4.84 105.19 111.02 3ir5 n GLY 352 Ca 0.15 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 3ir5 n GLY 352 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ir5 s ARG 353 N 3.07 0.55 0.42 1.61 1.70 -1.26 -4.53 118.95 120.51 3ir5 s ARG 353 Ca 0.00 0.27 -0.22 0.00 -0.47 0.00 0.00 55.73 55.32 3ir5 s ARG 353 Cb 0.00 -1.77 -0.10 0.00 -0.57 0.00 0.00 34.95 32.50 3ir5 s ARG 353 CO 0.00 -2.60 0.97 -1.64 -1.08 0.00 0.00 175.30 170.95 3ir5 s MET 354 N -5.22 4.21 0.37 3.89 -1.94 -1.26 -1.05 119.30 118.29 3ir5 s MET 354 Ca 0.66 1.19 -0.27 0.00 -1.71 0.00 0.00 55.69 55.56 3ir5 s MET 354 Cb -0.15 -2.25 -0.09 0.00 2.01 0.00 0.00 34.83 34.35 3ir5 s MET 354 CO 0.55 -0.06 1.25 -1.17 -0.01 0.00 0.00 175.02 175.58 3ir5 s LEU 355 N -3.08 4.31 0.06 -0.03 2.96 0.41 -4.78 118.68 118.53 3ir5 s LEU 355 Ca 0.61 2.54 0.08 0.00 -0.22 0.00 0.00 54.13 57.15 3ir5 s LEU 355 Cb -0.12 -3.83 -0.03 0.00 0.50 0.00 0.00 46.19 42.71 3ir5 s LEU 355 CO 0.16 -0.63 -0.23 -0.13 -1.32 0.00 0.00 176.35 174.20 3ir5 s ARG 356 N -2.04 1.44 0.34 1.98 1.81 -1.26 -3.25 118.95 117.96 3ir5 s ARG 356 Ca 0.53 -1.05 0.13 0.00 -1.72 0.00 0.00 55.73 53.62 3ir5 s ARG 356 Cb -0.36 -1.63 1.06 0.00 -0.45 0.00 0.00 34.95 33.57 3ir5 s ARG 356 CO 0.46 0.41 1.64 0.00 -0.68 0.00 0.00 175.30 177.14 3ir5 h ALA 357 N 4.63 1.85 -0.02 2.13 0.00 -0.89 0.44 119.26 127.40 3ir5 h ALA 357 Ca -0.45 0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.68 3ir5 h ALA 357 Cb 1.16 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 3ir5 h ALA 357 CO 0.43 -0.62 0.06 0.00 0.00 0.00 0.00 179.25 179.12 3ir5 h ALA 358 N 1.87 1.27 0.00 0.00 0.00 -1.52 -2.01 119.26 118.87 3ir5 h ALA 358 Ca 0.72 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.57 3ir5 h ALA 358 Cb 1.66 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 3ir5 h ALA 358 CO -0.65 -0.08 -0.27 -0.44 0.00 0.00 0.00 179.25 177.81 3ir5 h ASP 359 N 0.00 0.00 -3.50 0.00 3.32 -0.40 -3.45 116.42 112.38 3ir5 h ASP 359 Ca 0.01 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.53 3ir5 h ASP 359 Cb 0.14 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 3ir5 h ASP 359 CO -0.00 0.27 -0.00 -0.76 -1.72 0.00 0.00 179.24 177.02 3ir5 s LEU 360 N -6.49 4.23 0.17 1.55 2.01 -0.75 0.08 118.68 119.48 3ir5 s LEU 360 Ca 0.03 1.17 -0.25 0.00 0.01 0.00 0.00 54.13 55.10 3ir5 s LEU 360 Cb 0.08 -3.63 0.05 0.00 0.01 0.00 0.00 46.19 42.69 3ir5 s LEU 360 CO 0.68 -0.03 1.58 0.58 1.01 0.00 0.00 176.35 180.17 3ir5 h VAL 361 N 2.40 0.14 0.00 -1.59 2.07 -1.79 0.33 116.25 117.81 3ir5 h VAL 361 Ca -0.48 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3ir5 h VAL 361 Cb 1.18 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3ir5 h VAL 361 CO 0.66 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.72 3ir5 n ASP 362 N -5.42 0.54 -1.43 0.57 9.92 -1.26 -4.75 116.55 114.73 3ir5 n ASP 362 Ca 0.01 0.66 -0.18 0.00 -0.53 0.00 0.00 54.79 54.75 3ir5 n ASP 362 Cb 0.35 -0.76 -0.08 0.00 -0.64 0.00 0.00 41.12 39.99 3ir5 n ASP 362 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ir5 n ALA 363 N -1.73 -0.28 -1.39 2.24 0.00 0.12 -0.39 120.51 119.07 3ir5 n ALA 363 Ca 0.02 0.29 -0.13 0.00 0.00 0.00 0.00 53.44 53.62 3ir5 n ALA 363 Cb 0.18 -1.95 -0.06 0.00 0.00 0.00 0.00 19.45 17.62 3ir5 n ALA 363 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ir5 n LEU 364 N -2.10 -0.97 0.00 0.00 4.77 -1.26 0.64 117.00 118.07 3ir5 n LEU 364 Ca -0.18 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3ir5 n LEU 364 Cb 0.65 -2.01 0.00 0.00 -2.33 0.00 0.00 43.42 39.72 3ir5 n LEU 364 CO 0.28 -0.70 0.00 0.61 -1.33 0.00 0.00 177.39 176.25 3ir5 n GLY 365 N -0.25 0.60 3.50 -0.72 0.00 0.47 -4.71 105.19 104.08 3ir5 n GLY 365 Ca -0.13 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 3ir5 n GLY 365 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ir5 s GLN 366 N -0.59 3.21 -0.10 1.61 1.11 0.21 -4.88 119.66 120.23 3ir5 s GLN 366 Ca 0.00 -0.54 0.17 0.00 0.01 0.00 0.00 55.36 55.01 3ir5 s GLN 366 Cb 0.00 -3.97 -0.24 0.00 -1.01 0.00 0.00 33.01 27.80 3ir5 s GLN 366 CO 0.00 -0.97 0.39 -0.85 0.01 0.00 0.00 175.29 173.86 3ir5 n GLU 367 N 6.04 0.66 -3.38 2.91 -0.00 -1.26 -4.51 120.64 121.10 3ir5 n GLU 367 Ca -0.04 0.07 -0.39 0.00 -0.00 0.00 0.00 57.16 56.81 3ir5 n GLU 367 Cb 0.47 -1.63 -0.08 0.00 -0.00 0.00 0.00 31.44 30.21 3ir5 n GLU 367 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3ir5 s ASN 368 N -5.53 6.37 -1.43 -1.84 2.47 -1.26 -4.51 114.94 109.20 3ir5 s ASN 368 Ca -0.07 0.43 -0.08 0.00 0.42 0.00 0.00 52.86 53.55 3ir5 s ASN 368 Cb 0.08 -2.23 0.01 0.00 -1.45 0.00 0.00 41.25 37.66 3ir5 s ASN 368 CO 0.84 -0.13 0.27 0.59 -3.72 0.00 0.00 177.10 174.95 3ir5 n ASN 369 N 4.84 -0.68 0.27 -4.21 5.03 -1.26 -4.83 115.26 114.42 3ir5 n ASN 369 Ca -0.08 -1.21 0.16 0.00 0.87 0.00 0.00 54.58 54.32 3ir5 n ASN 369 Cb 0.51 -2.02 0.64 0.00 -1.02 0.00 0.00 39.78 37.89 3ir5 n ASN 369 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 3ir5 h PRO 370 N -1.98 0.00 -0.07 3.52 0.13 -1.79 -2.17 132.00 129.63 3ir5 h PRO 370 Ca -0.67 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 3ir5 h PRO 370 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 3ir5 h PRO 370 CO 0.64 0.04 0.00 -0.85 -0.23 0.00 0.00 178.00 177.60 3ir5 n GLU 371 N -3.15 1.22 -0.30 0.86 0.00 -1.26 -1.47 120.64 116.54 3ir5 n GLU 371 Ca 0.01 -0.34 0.05 0.00 0.00 0.00 0.00 57.16 56.88 3ir5 n GLU 371 Cb 0.33 -1.21 0.08 0.00 0.00 0.00 0.00 31.44 30.63 3ir5 n GLU 371 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 3ir5 n TRP 372 N -0.35 0.00 -4.17 -1.84 7.02 -0.82 -4.82 117.44 112.47 3ir5 n TRP 372 Ca 0.09 -0.56 -0.31 0.00 -1.02 0.00 0.00 57.50 55.71 3ir5 n TRP 372 Cb 0.12 -0.11 -0.16 0.00 -2.42 0.00 0.00 31.31 28.73 3ir5 n TRP 372 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3ir5 s LYS 373 N -1.56 2.63 0.88 -0.99 1.02 -1.20 -1.70 119.74 118.82 3ir5 s LYS 373 Ca 0.18 -0.69 -0.12 0.00 0.02 0.00 0.00 55.97 55.36 3ir5 s LYS 373 Cb 0.16 -2.30 0.12 0.00 -0.52 0.00 0.00 37.83 35.29 3ir5 s LYS 373 CO 0.01 -0.19 1.09 0.95 -0.92 0.00 0.00 175.35 176.30 3ir5 s THR 374 N 1.30 2.71 0.03 2.17 -4.23 -1.26 -0.98 115.64 115.38 3ir5 s THR 374 Ca 0.03 0.23 0.03 0.00 -1.18 0.00 0.00 61.69 60.80 3ir5 s THR 374 Cb -0.13 -2.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.91 3ir5 s THR 374 CO -0.10 -0.30 -0.09 -0.69 -0.54 0.00 0.00 174.62 172.90 3ir5 s VAL 375 N -2.99 0.68 0.34 2.29 1.01 -1.20 -4.30 120.40 116.22 3ir5 s VAL 375 Ca 0.63 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.75 3ir5 s VAL 375 Cb -0.17 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 3ir5 s VAL 375 CO 0.56 -0.17 0.37 0.00 0.00 0.00 0.00 175.10 175.87 3ir5 s ALA 376 N -0.97 1.32 -0.10 5.51 0.00 -0.16 0.75 121.76 128.12 3ir5 s ALA 376 Ca -0.04 -1.80 -0.02 0.00 0.00 0.00 0.00 51.96 50.09 3ir5 s ALA 376 Cb -0.08 1.32 -0.03 0.00 0.00 0.00 0.00 23.12 24.33 3ir5 s ALA 376 CO 0.01 -0.73 -0.00 -0.06 0.00 0.00 0.00 175.76 174.98 3ir5 s PHE 377 N -3.24 3.14 0.83 0.00 0.40 -1.26 0.02 117.98 117.87 3ir5 s PHE 377 Ca 0.36 0.11 -0.09 0.00 -0.60 0.00 0.00 56.93 56.71 3ir5 s PHE 377 Cb 0.01 -1.83 0.18 0.00 0.51 0.00 0.00 43.02 41.89 3ir5 s PHE 377 CO 0.24 0.37 1.13 0.27 0.70 0.00 0.00 175.22 177.93 3ir5 n ASN 378 N 2.43 0.65 0.08 1.36 6.94 0.13 -0.26 115.26 126.58 3ir5 n ASN 378 Ca -0.18 -1.75 0.11 0.00 -0.02 0.00 0.00 54.58 52.73 3ir5 n ASN 378 Cb 0.53 -0.81 0.44 0.00 -2.36 0.00 0.00 39.78 37.58 3ir5 n ASN 378 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3ir5 n THR 379 N -3.32 0.75 -1.29 5.53 -2.24 0.53 -2.76 114.28 111.49 3ir5 n THR 379 Ca 0.16 0.13 -0.33 0.00 -2.27 0.00 0.00 64.05 61.73 3ir5 n THR 379 Cb 0.56 -0.96 0.08 0.00 -2.10 0.00 0.00 70.33 67.91 3ir5 n THR 379 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3ir5 n ASN 380 N -1.96 7.58 -0.17 3.42 3.02 -1.26 -4.90 115.26 120.99 3ir5 n ASN 380 Ca 0.04 -3.73 -0.01 0.00 -0.03 0.00 0.00 54.58 50.84 3ir5 n ASN 380 Cb 0.26 -0.98 -0.01 0.00 -0.61 0.00 0.00 39.78 38.43 3ir5 n ASN 380 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ir5 n GLY 381 N -0.82 0.14 3.91 7.41 0.00 -1.11 -4.94 105.19 109.77 3ir5 n GLY 381 Ca 0.60 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.35 3ir5 n GLY 381 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ir5 s GLU 382 N -1.32 3.59 0.29 1.61 2.02 -1.26 -4.84 118.70 118.78 3ir5 s GLU 382 Ca 0.00 0.14 -0.08 0.00 0.02 0.00 0.00 54.97 55.05 3ir5 s GLU 382 Cb 0.00 -2.46 -0.06 0.00 0.10 0.00 0.00 34.13 31.70 3ir5 s GLU 382 CO 0.00 -0.05 0.60 1.41 0.02 0.00 0.00 175.26 177.24 3ir5 s MET 383 N -4.32 3.75 -0.04 1.61 1.75 -1.26 -0.69 119.30 120.10 3ir5 s MET 383 Ca 0.46 0.24 -0.30 0.00 -1.25 0.00 0.00 55.69 54.85 3ir5 s MET 383 Cb -0.10 -2.59 0.07 0.00 2.84 0.00 0.00 34.83 35.05 3ir5 s MET 383 CO 0.39 0.21 0.66 0.54 -0.65 0.00 0.00 175.02 176.16 3ir5 s VAL 384 N -2.02 0.00 -0.53 10.11 0.11 0.10 -4.85 120.40 123.33 3ir5 s VAL 384 Ca 0.47 -0.02 -0.07 0.00 -2.93 0.00 0.00 61.98 59.43 3ir5 s VAL 384 Cb -0.11 -0.98 0.14 0.00 -1.53 0.00 0.00 36.38 33.90 3ir5 s VAL 384 CO 0.26 -0.01 0.38 0.00 -3.33 0.00 0.00 175.10 172.39 3ir5 s ALA 385 N -1.32 3.45 0.51 1.54 0.00 -1.26 -0.98 121.76 123.69 3ir5 s ALA 385 Ca -0.11 -2.78 -0.19 0.00 0.00 0.00 0.00 51.96 48.88 3ir5 s ALA 385 Cb -0.00 -2.76 -0.08 0.00 0.00 0.00 0.00 23.12 20.28 3ir5 s ALA 385 CO 0.09 -1.97 1.03 -1.25 0.00 0.00 0.00 175.76 173.66 3ir5 s PRO 386 N 0.87 3.74 0.76 0.00 0.04 -1.26 0.87 135.00 140.02 3ir5 s PRO 386 Ca 0.10 1.28 -0.15 0.00 0.04 0.00 0.00 61.00 62.27 3ir5 s PRO 386 Cb -0.23 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.23 3ir5 s PRO 386 CO -0.03 -0.47 0.78 0.09 0.04 0.00 0.00 177.00 177.41 3ir5 n ASN 387 N -1.21 -0.34 0.00 6.66 4.13 -1.06 -3.84 115.26 119.59 3ir5 n ASN 387 Ca 0.09 0.59 0.00 0.00 1.68 0.00 0.00 54.58 56.93 3ir5 n ASN 387 Cb 0.53 -1.33 0.00 0.00 -1.54 0.00 0.00 39.78 37.44 3ir5 n ASN 387 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ir5 n GLY 388 N 1.25 2.83 3.69 7.41 0.00 -0.54 -4.72 105.19 115.11 3ir5 n GLY 388 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3ir5 n GLY 388 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ir5 n SER 389 N 0.00 1.14 0.00 1.61 3.41 -1.23 -3.50 113.62 115.04 3ir5 n SER 389 Ca 0.00 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 3ir5 n SER 389 Cb 0.00 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.44 3ir5 n SER 389 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ir5 n ILE 390 N -3.00 1.37 0.09 -1.33 0.13 0.70 -1.84 119.36 115.49 3ir5 n ILE 390 Ca 0.14 0.39 -0.06 0.00 -1.10 0.00 0.00 62.75 62.11 3ir5 n ILE 390 Cb 0.50 -1.39 0.03 0.00 -0.84 0.00 0.00 39.64 37.95 3ir5 n ILE 390 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 3ir5 h GLY 391 N 0.00 0.12 0.68 4.50 0.00 -1.57 -3.18 103.07 103.61 3ir5 h GLY 391 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3ir5 h GLY 391 CO 0.00 0.18 -0.04 0.69 0.00 0.00 0.00 176.54 177.37 3ir5 n PHE 392 N -3.66 0.00 -0.01 5.60 3.01 -0.77 -4.05 117.46 117.58 3ir5 n PHE 392 Ca -0.02 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.28 3ir5 n PHE 392 Cb 0.76 -0.09 -0.11 0.00 -0.01 0.00 0.00 39.48 40.04 3ir5 n PHE 392 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 3ir5 h ARG 393 N 0.73 0.32 -6.07 -1.08 2.43 -1.70 -3.37 114.38 105.63 3ir5 h ARG 393 Ca 0.00 -0.32 -0.54 0.00 -0.81 0.00 0.00 59.98 58.31 3ir5 h ARG 393 Cb 0.26 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.83 3ir5 h ARG 393 CO 0.00 1.00 -0.49 -1.58 -1.51 0.00 0.00 179.97 177.39 3ir5 s TRP 394 N -3.30 2.71 0.00 2.20 0.52 -1.26 -4.58 118.94 115.23 3ir5 s TRP 394 Ca -0.14 -0.44 0.00 0.00 0.02 0.00 0.00 56.10 55.54 3ir5 s TRP 394 Cb 0.03 -1.81 0.00 0.00 -1.15 0.00 0.00 33.47 30.54 3ir5 s TRP 394 CO 0.79 0.22 0.00 0.41 0.02 0.00 0.00 176.95 178.38 3ir5 n GLY 395 N -1.25 0.09 3.76 0.98 0.00 -1.26 -4.86 105.19 102.64 3ir5 n GLY 395 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 3ir5 n GLY 395 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ir5 s GLU 396 N -1.45 0.76 0.09 1.61 -1.05 -1.26 -5.02 118.70 112.37 3ir5 s GLU 396 Ca 0.00 -0.45 -0.04 0.00 -0.15 0.00 0.00 54.97 54.33 3ir5 s GLU 396 Cb 0.00 0.24 -0.02 0.00 -0.44 0.00 0.00 34.13 33.91 3ir5 s GLU 396 CO 0.00 -0.35 0.09 0.15 0.95 0.00 0.00 175.26 176.09 3ir5 s LYS 397 N -2.53 0.79 0.00 -4.83 -0.14 -1.26 -4.74 119.74 107.03 3ir5 s LYS 397 Ca 0.17 -1.17 0.00 0.00 -1.36 0.00 0.00 55.97 53.62 3ir5 s LYS 397 Cb 0.01 0.27 0.00 0.00 -1.68 0.00 0.00 37.83 36.44 3ir5 s LYS 397 CO -0.00 -0.22 0.00 0.41 -0.76 0.00 0.00 175.35 174.78 3ir5 n GLY 398 N -0.01 1.74 0.09 -3.33 0.00 -0.94 -4.88 105.19 97.87 3ir5 n GLY 398 Ca -0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.91 3ir5 n GLY 398 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ir5 n LYS 399 N -2.00 -0.42 -1.84 1.61 5.02 -1.22 -4.30 118.16 115.00 3ir5 n LYS 399 Ca 0.00 -0.70 -0.41 0.00 -2.02 0.00 0.00 58.31 55.17 3ir5 n LYS 399 Cb 0.00 -1.04 -0.00 0.00 -0.02 0.00 0.00 35.03 33.96 3ir5 n LYS 399 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 3ir5 n TRP 400 N 0.09 3.05 -4.14 2.13 -0.00 -1.06 -1.47 117.44 116.05 3ir5 n TRP 400 Ca 0.01 -2.93 -0.12 0.00 -0.00 0.00 0.00 57.50 54.46 3ir5 n TRP 400 Cb 0.07 -2.30 -0.08 0.00 -0.00 0.00 0.00 31.31 29.00 3ir5 n TRP 400 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 3ir5 s ASN 401 N 2.06 0.27 -0.36 5.87 2.20 -1.26 -4.09 114.94 119.63 3ir5 s ASN 401 Ca 0.50 -1.29 0.08 0.00 -0.94 0.00 0.00 52.86 51.21 3ir5 s ASN 401 Cb 0.14 0.48 0.71 0.00 -2.00 0.00 0.00 41.25 40.59 3ir5 s ASN 401 CO -0.06 -0.99 1.82 0.18 -2.94 0.00 0.00 177.10 175.12 3ir5 n LEU 402 N -0.36 6.18 -4.70 3.54 4.32 0.49 -2.02 117.00 124.45 3ir5 n LEU 402 Ca 0.01 -3.36 -0.42 0.00 -0.02 0.00 0.00 56.01 52.22 3ir5 n LEU 402 Cb 0.64 -0.77 -0.03 0.00 -1.62 0.00 0.00 43.42 41.65 3ir5 n LEU 402 CO 0.30 0.90 1.04 -1.61 -1.22 0.00 0.00 177.39 176.79 3ir5 s GLU 403 N -3.10 4.33 -0.91 3.23 2.02 -1.26 -4.86 118.70 118.16 3ir5 s GLU 403 Ca 0.55 1.96 -0.25 0.00 0.02 0.00 0.00 54.97 57.25 3ir5 s GLU 403 Cb 0.45 -3.39 -0.08 0.00 0.10 0.00 0.00 34.13 31.21 3ir5 s GLU 403 CO 0.12 -0.44 2.06 -0.65 0.02 0.00 0.00 175.26 176.37 3ir5 s GLN 404 N 1.57 2.26 0.17 1.61 -1.52 -1.26 -4.52 119.66 117.98 3ir5 s GLN 404 Ca 0.63 -0.20 0.01 0.00 -1.95 0.00 0.00 55.36 53.85 3ir5 s GLN 404 Cb -0.33 -5.01 -0.05 0.00 -0.22 0.00 0.00 33.01 27.40 3ir5 s GLN 404 CO 0.28 -3.79 0.02 1.03 -0.25 0.00 0.00 175.29 172.59 3ir5 s ARG 405 N 7.47 1.11 -0.42 2.91 0.52 -1.26 -2.30 118.95 126.98 3ir5 s ARG 405 Ca 0.76 -1.54 -0.23 0.00 -0.52 0.00 0.00 55.73 54.20 3ir5 s ARG 405 Cb -0.08 -0.17 0.02 0.00 0.52 0.00 0.00 34.95 35.25 3ir5 s ARG 405 CO 0.03 -0.17 0.76 0.34 0.02 0.00 0.00 175.30 176.28 3ir5 s ASP 406 N -3.17 6.43 0.00 0.23 2.15 0.14 -2.58 116.67 119.88 3ir5 s ASP 406 Ca 0.26 -0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.22 3ir5 s ASP 406 Cb 0.06 -2.38 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 3ir5 s ASP 406 CO 0.05 -0.84 0.38 0.61 -0.17 0.00 0.00 175.17 175.19 3ir5 n GLY 407 N 4.87 0.00 0.72 2.66 0.00 0.25 0.12 105.19 113.81 3ir5 n GLY 407 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 3ir5 n GLY 407 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ir5 n LYS 408 N -0.87 0.19 0.00 1.61 4.81 -1.26 -4.73 118.16 117.91 3ir5 n LYS 408 Ca 0.00 0.08 0.12 0.00 -0.87 0.00 0.00 58.31 57.65 3ir5 n LYS 408 Cb 0.00 -0.83 0.34 0.00 0.02 0.00 0.00 35.03 34.56 3ir5 n LYS 408 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3ir5 n THR 409 N -3.59 0.01 -1.19 3.15 -2.24 -1.13 -4.92 114.28 104.37 3ir5 n THR 409 Ca -0.13 -0.01 -0.06 0.00 -2.27 0.00 0.00 64.05 61.58 3ir5 n THR 409 Cb 0.44 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 3ir5 n THR 409 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ir5 n GLY 410 N 1.50 0.75 3.94 3.38 0.00 0.12 -4.98 105.19 109.89 3ir5 n GLY 410 Ca 0.06 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 3ir5 n GLY 410 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ir5 s GLU 411 N -2.21 3.49 0.36 1.61 2.56 -1.25 -4.74 118.70 118.52 3ir5 s GLU 411 Ca 0.00 -0.46 -0.27 0.00 0.00 0.00 0.00 54.97 54.24 3ir5 s GLU 411 Cb 0.00 -2.88 -0.09 0.00 2.00 0.00 0.00 34.13 33.15 3ir5 s GLU 411 CO 0.00 0.44 1.25 -1.21 -0.56 0.00 0.00 175.26 175.18 3ir5 s GLU 412 N -3.35 4.20 0.33 4.30 2.02 -1.26 0.28 118.70 125.21 3ir5 s GLU 412 Ca 0.37 2.06 0.03 0.00 0.02 0.00 0.00 54.97 57.45 3ir5 s GLU 412 Cb -0.11 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 31.19 3ir5 s GLU 412 CO 0.29 -0.27 0.11 0.95 0.02 0.00 0.00 175.26 176.36 3ir5 s THR 413 N -1.25 0.69 -0.27 3.63 -4.23 -0.97 -4.81 115.64 108.42 3ir5 s THR 413 Ca 0.53 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.02 3ir5 s THR 413 Cb -0.36 -2.58 0.09 0.00 1.34 0.00 0.00 72.50 70.99 3ir5 s THR 413 CO 0.47 0.00 0.09 -0.70 -0.54 0.00 0.00 174.62 173.93 3ir5 s GLU 414 N -3.86 0.58 0.33 3.99 2.12 -1.26 -4.69 118.70 115.91 3ir5 s GLU 414 Ca 0.33 -0.76 -0.29 0.00 0.36 0.00 0.00 54.97 54.61 3ir5 s GLU 414 Cb 0.06 -1.85 -0.11 0.00 0.26 0.00 0.00 34.13 32.49 3ir5 s GLU 414 CO 0.15 -0.89 1.45 -0.51 -0.54 0.00 0.00 175.26 174.92 3ir5 s LEU 415 N 1.79 4.36 0.09 2.70 1.43 -1.26 -0.34 118.68 127.45 3ir5 s LEU 415 Ca 0.06 2.86 -0.10 0.00 -1.03 0.00 0.00 54.13 55.93 3ir5 s LEU 415 Cb -0.17 -3.65 -0.06 0.00 0.03 0.00 0.00 46.19 42.34 3ir5 s LEU 415 CO -0.22 -0.76 0.41 -1.58 0.23 0.00 0.00 176.35 174.43 3ir5 s GLN 416 N -1.42 3.77 -0.13 1.70 0.74 0.64 -4.73 119.66 120.23 3ir5 s GLN 416 Ca 0.55 0.18 -0.08 0.00 0.05 0.00 0.00 55.36 56.06 3ir5 s GLN 416 Cb -0.44 -2.98 -0.03 0.00 1.10 0.00 0.00 33.01 30.67 3ir5 s GLN 416 CO 0.54 0.54 -0.15 -0.07 -0.55 0.00 0.00 175.29 175.61 3ir5 h LEU 417 N 3.63 0.00 -9.04 3.68 3.38 -1.92 -3.42 115.31 111.62 3ir5 h LEU 417 Ca -0.49 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 56.82 3ir5 h LEU 417 Cb 1.19 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.75 3ir5 h LEU 417 CO 0.67 0.68 -0.67 -0.55 0.09 0.00 0.00 178.44 178.66 3ir5 s SER 418 N -5.57 4.83 0.20 -0.43 0.15 -1.26 -4.62 113.70 107.00 3ir5 s SER 418 Ca -0.12 -0.03 0.23 0.00 0.70 0.00 0.00 55.95 56.73 3ir5 s SER 418 Cb 0.02 -1.48 0.91 0.00 -1.71 0.00 0.00 66.02 63.76 3ir5 s SER 418 CO 0.18 0.29 1.71 0.18 1.20 0.00 0.00 173.24 176.80 3ir5 n LEU 419 N 2.73 0.58 -4.58 3.45 4.77 -1.26 -4.76 117.00 117.93 3ir5 n LEU 419 Ca -0.18 0.62 -0.49 0.00 -0.03 0.00 0.00 56.01 55.92 3ir5 n LEU 419 Cb 0.53 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 3ir5 n LEU 419 CO 0.30 -0.40 1.65 -0.11 -1.33 0.00 0.00 177.39 177.49 3ir5 n LEU 420 N -2.11 2.83 0.00 2.23 7.94 -1.26 0.82 117.00 127.44 3ir5 n LEU 420 Ca 0.03 0.66 0.00 0.00 -1.11 0.00 0.00 56.01 55.59 3ir5 n LEU 420 Cb 0.28 -1.34 0.00 0.00 0.53 0.00 0.00 43.42 42.89 3ir5 n LEU 420 CO 0.22 -0.44 0.00 0.61 -1.11 0.00 0.00 177.39 176.67 3ir5 n GLY 421 N 5.39 1.09 0.15 -3.96 0.00 -1.26 -4.88 105.19 101.72 3ir5 n GLY 421 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 3ir5 n GLY 421 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ir5 n SER 422 N 0.00 0.00 -4.81 1.61 7.64 0.24 -5.13 113.62 113.17 3ir5 n SER 422 Ca 0.00 -1.07 -0.32 0.00 1.01 0.00 0.00 58.87 58.49 3ir5 n SER 422 Cb 0.00 -0.01 0.01 0.00 -1.01 0.00 0.00 64.21 63.20 3ir5 n SER 422 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ir5 s GLN 423 N 0.00 3.36 0.01 1.43 0.00 -0.85 -4.91 119.66 118.70 3ir5 s GLN 423 Ca 0.00 1.15 0.22 0.00 -0.00 0.00 0.00 55.36 56.73 3ir5 s GLN 423 Cb 0.00 -2.04 -0.21 0.00 0.00 0.00 0.00 33.01 30.76 3ir5 s GLN 423 CO 0.00 -0.77 0.73 -0.25 0.00 0.00 0.00 175.29 174.99 3ir5 n ASP 424 N -2.08 0.41 0.00 12.60 10.43 0.36 -4.98 116.55 133.28 3ir5 n ASP 424 Ca 0.08 -0.22 0.00 0.00 2.57 0.00 0.00 54.79 57.22 3ir5 n ASP 424 Cb 0.53 1.41 0.00 0.00 1.84 0.00 0.00 41.12 44.90 3ir5 n ASP 424 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 3ir5 n GLU 425 N -2.08 0.00 -3.19 -1.24 0.28 -1.21 -5.03 120.64 108.18 3ir5 n GLU 425 Ca -0.01 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.59 3ir5 n GLU 425 Cb 0.49 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.29 3ir5 n GLU 425 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3ir5 s ILE 426 N -2.00 5.04 0.10 3.84 -1.09 -1.26 -1.73 121.20 124.10 3ir5 s ILE 426 Ca 0.00 0.99 0.05 0.00 -2.23 0.00 0.00 60.65 59.46 3ir5 s ILE 426 Cb 0.00 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 3ir5 s ILE 426 CO 0.00 0.08 0.02 0.00 -1.23 0.00 0.00 174.94 173.81 3ir5 s ALA 427 N 2.30 3.34 -0.30 9.38 0.00 0.05 -4.91 121.76 131.62 3ir5 s ALA 427 Ca 0.24 -1.13 -0.13 0.00 0.00 0.00 0.00 51.96 50.94 3ir5 s ALA 427 Cb -0.16 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 3ir5 s ALA 427 CO 0.09 0.68 0.26 -1.21 0.00 0.00 0.00 175.76 175.58 3ir5 s GLU 428 N -2.43 3.82 -0.14 0.00 2.02 -1.26 -0.04 118.70 120.67 3ir5 s GLU 428 Ca 0.27 -0.33 -0.04 0.00 0.02 0.00 0.00 54.97 54.89 3ir5 s GLU 428 Cb -0.11 -3.71 -0.03 0.00 0.10 0.00 0.00 34.13 30.38 3ir5 s GLU 428 CO 0.19 -0.30 -0.01 0.08 0.02 0.00 0.00 175.26 175.25 3ir5 s VAL 429 N 1.85 4.18 -0.26 2.63 1.01 0.30 -0.74 120.40 129.37 3ir5 s VAL 429 Ca 0.09 -0.26 -0.23 0.00 0.00 0.00 0.00 61.98 61.58 3ir5 s VAL 429 Cb -0.16 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 3ir5 s VAL 429 CO 0.11 0.51 0.74 -0.83 0.00 0.00 0.00 175.10 175.63 3ir5 s GLY 430 N 0.07 1.76 -0.18 4.51 0.00 0.51 -1.26 107.32 112.73 3ir5 s GLY 430 Ca 0.02 -0.33 -0.07 0.00 0.00 0.00 0.00 44.72 44.34 3ir5 s GLY 430 CO 0.02 1.66 0.06 -1.36 0.00 0.00 0.00 173.10 173.48 3ir5 s PHE 431 N 2.75 3.25 0.41 1.90 0.40 0.18 -4.66 117.98 122.21 3ir5 s PHE 431 Ca 0.31 0.08 -0.26 0.00 -0.60 0.00 0.00 56.93 56.46 3ir5 s PHE 431 Cb -0.15 -2.06 -0.08 0.00 0.51 0.00 0.00 43.02 41.24 3ir5 s PHE 431 CO 0.09 0.18 1.28 -1.25 0.70 0.00 0.00 175.22 176.22 3ir5 s PRO 432 N 0.28 3.95 -0.03 0.24 0.04 -1.26 -0.57 135.00 137.64 3ir5 s PRO 432 Ca 0.03 2.09 -0.01 0.00 0.04 0.00 0.00 61.00 63.16 3ir5 s PRO 432 Cb -0.12 -2.72 0.03 0.00 0.04 0.00 0.00 34.50 31.73 3ir5 s PRO 432 CO 0.00 -0.48 0.03 -0.47 0.04 0.00 0.00 177.00 176.12 3ir5 s TYR 433 N -1.29 0.15 -0.22 0.56 5.04 0.39 -4.87 117.35 117.11 3ir5 s TYR 433 Ca 0.57 0.13 0.02 0.00 -2.44 0.00 0.00 57.07 55.35 3ir5 s TYR 433 Cb -0.37 -0.40 0.03 0.00 0.35 0.00 0.00 41.96 41.57 3ir5 s TYR 433 CO 0.47 -0.15 0.72 1.19 -1.34 0.00 0.00 175.55 176.44 3ir5 n PHE 434 N 4.64 0.03 0.00 4.97 3.01 -1.26 -4.42 117.46 124.42 3ir5 n PHE 434 Ca -0.17 -0.17 0.00 0.00 1.01 0.00 0.00 57.45 58.12 3ir5 n PHE 434 Cb 0.50 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 3ir5 n PHE 434 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ir5 n GLY 435 N -0.04 0.00 0.00 1.37 0.00 -1.26 -1.57 105.19 103.70 3ir5 n GLY 435 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 3ir5 n GLY 435 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ir5 n GLY 436 N -0.96 -0.14 1.84 -0.02 0.00 -1.24 -1.55 105.19 103.12 3ir5 n GLY 436 Ca 0.00 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 3ir5 n GLY 436 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ir5 n ASP 437 N -1.39 0.39 0.00 1.61 8.00 -0.61 -4.77 116.55 119.78 3ir5 n ASP 437 Ca 0.01 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 54.11 3ir5 n ASP 437 Cb 0.20 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 3ir5 n ASP 437 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ir5 n GLY 438 N 1.15 2.02 3.41 0.44 0.00 -1.26 -4.81 105.19 106.14 3ir5 n GLY 438 Ca 0.08 -2.19 -0.23 0.00 0.00 0.00 0.00 46.02 43.68 3ir5 n GLY 438 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ir5 n THR 439 N -0.81 0.00 0.36 2.61 -2.24 -1.26 -4.98 114.28 107.96 3ir5 n THR 439 Ca 0.00 -1.14 0.14 0.00 -2.27 0.00 0.00 64.05 60.78 3ir5 n THR 439 Cb 0.00 -1.24 0.49 0.00 -2.10 0.00 0.00 70.33 67.47 3ir5 n THR 439 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3ir5 h GLU 440 N 0.00 0.00 0.00 -0.78 9.09 -2.00 -3.20 114.58 117.68 3ir5 h GLU 440 Ca -0.33 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.08 3ir5 h GLU 440 Cb 1.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.16 3ir5 h GLU 440 CO 0.29 0.00 0.00 0.72 0.05 0.00 0.00 179.01 180.07 3ir5 n HIS 441 N -2.72 0.42 -4.84 2.06 8.25 -1.26 -4.76 115.22 112.36 3ir5 n HIS 441 Ca 0.02 0.14 -0.27 0.00 -0.26 0.00 0.00 57.72 57.35 3ir5 n HIS 441 Cb 0.35 -0.72 -0.15 0.00 1.12 0.00 0.00 29.99 30.59 3ir5 n HIS 441 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3ir5 s PHE 442 N -3.08 1.93 0.72 4.41 0.40 -1.21 -5.11 117.98 116.04 3ir5 s PHE 442 Ca 0.10 -0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 55.93 3ir5 s PHE 442 Cb 0.14 -1.18 0.03 0.00 0.51 0.00 0.00 43.02 42.52 3ir5 s PHE 442 CO 0.48 0.05 1.10 -0.80 0.70 0.00 0.00 175.22 176.75 3ir5 s ASN 443 N -0.92 4.76 0.14 1.36 0.01 -1.26 -4.78 114.94 114.25 3ir5 s ASN 443 Ca 0.08 1.90 0.01 0.00 -0.71 0.00 0.00 52.86 54.14 3ir5 s ASN 443 Cb -0.09 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 3ir5 s ASN 443 CO 0.01 -1.87 -0.01 -0.54 -1.51 0.00 0.00 177.10 173.18 3ir5 s LYS 444 N -4.57 0.98 -0.20 -0.60 1.02 -1.26 -4.81 119.74 110.30 3ir5 s LYS 444 Ca 0.64 -1.45 -0.03 0.00 0.02 0.00 0.00 55.97 55.15 3ir5 s LYS 444 Cb -0.19 -0.16 0.06 0.00 -0.52 0.00 0.00 37.83 37.03 3ir5 s LYS 444 CO 0.50 -0.11 0.06 0.08 -0.92 0.00 0.00 175.35 174.96 3ir5 s VAL 445 N -3.71 0.38 0.17 3.17 1.01 -0.59 -4.90 120.40 115.92 3ir5 s VAL 445 Ca 0.19 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 3ir5 s VAL 445 Cb 0.06 -0.96 -0.08 0.00 0.00 0.00 0.00 36.38 35.40 3ir5 s VAL 445 CO 0.00 -0.28 1.18 -0.70 0.00 0.00 0.00 175.10 175.30 3ir5 s GLU 446 N 1.92 4.50 0.00 2.72 2.56 -1.26 -3.69 118.70 125.45 3ir5 s GLU 446 Ca 0.01 1.83 0.00 0.00 0.00 0.00 0.00 54.97 56.81 3ir5 s GLU 446 Cb -0.17 -3.26 0.00 0.00 2.00 0.00 0.00 34.13 32.70 3ir5 s GLU 446 CO -0.11 -0.08 0.00 1.28 -0.56 0.00 0.00 175.26 175.79 3ir5 n LEU 447 N 2.69 0.00 -3.99 2.70 4.77 -1.26 -5.06 117.00 116.84 3ir5 n LEU 447 Ca 0.05 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.90 3ir5 n LEU 447 Cb 0.45 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.42 3ir5 n LEU 447 CO 0.55 0.00 -0.39 -1.61 -1.33 0.00 0.00 177.39 174.62 3ir5 s GLU 448 N 2.08 0.38 0.47 3.23 0.41 -1.26 -5.01 118.70 119.00 3ir5 s GLU 448 Ca 0.00 -0.50 0.20 0.00 -0.41 0.00 0.00 54.97 54.26 3ir5 s GLU 448 Cb 0.00 -0.18 1.17 0.00 -1.78 0.00 0.00 34.13 33.34 3ir5 s GLU 448 CO 0.00 0.03 2.01 -0.91 -0.49 0.00 0.00 175.26 175.90 3ir5 h ASN 449 N 5.07 0.00 -3.24 -0.19 4.21 -1.94 -3.40 115.58 116.09 3ir5 h ASN 449 Ca -0.32 0.00 -0.54 0.00 1.21 0.00 0.00 56.30 56.65 3ir5 h ASN 449 Cb 1.20 0.00 -0.36 0.00 -1.12 0.00 0.00 38.32 38.05 3ir5 h ASN 449 CO 0.44 0.18 -0.81 -0.69 -1.29 0.00 0.00 177.43 175.26 3ir5 s VAL 450 N -4.37 1.19 -0.24 2.81 1.01 -1.26 -0.46 120.40 119.08 3ir5 s VAL 450 Ca -0.03 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 3ir5 s VAL 450 Cb 0.14 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 3ir5 s VAL 450 CO 0.65 0.39 0.05 -0.76 0.00 0.00 0.00 175.10 175.43 3ir5 s LEU 451 N 1.32 3.36 -0.10 3.92 1.43 0.26 -4.87 118.68 124.00 3ir5 s LEU 451 Ca -0.02 -0.22 -0.20 0.00 -1.03 0.00 0.00 54.13 52.66 3ir5 s LEU 451 Cb -0.14 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 3ir5 s LEU 451 CO -0.05 -0.02 0.55 -0.76 0.23 0.00 0.00 176.35 176.30 3ir5 s LEU 452 N 1.52 4.29 0.12 1.79 1.02 -1.26 0.52 118.68 126.69 3ir5 s LEU 452 Ca 0.06 0.93 0.08 0.00 0.02 0.00 0.00 54.13 55.23 3ir5 s LEU 452 Cb -0.15 -2.82 -0.04 0.00 0.02 0.00 0.00 46.19 43.21 3ir5 s LEU 452 CO 0.03 -0.03 -0.20 -1.00 0.02 0.00 0.00 176.35 175.16 3ir5 s HIS 453 N 0.67 1.82 -0.33 0.29 3.76 -0.39 -4.52 115.29 116.59 3ir5 s HIS 453 Ca 0.30 -0.43 -0.24 0.00 -0.15 0.00 0.00 55.06 54.54 3ir5 s HIS 453 Cb -0.16 -0.97 0.01 0.00 1.11 0.00 0.00 32.58 32.57 3ir5 s HIS 453 CO 0.13 0.25 0.82 0.15 -0.85 0.00 0.00 174.74 175.24 3ir5 s LYS 454 N -2.20 3.88 -0.09 1.40 1.02 -1.26 -0.54 119.74 121.96 3ir5 s LYS 454 Ca 0.10 0.52 0.02 0.00 0.02 0.00 0.00 55.97 56.62 3ir5 s LYS 454 Cb -0.09 -3.76 -0.02 0.00 -0.52 0.00 0.00 37.83 33.44 3ir5 s LYS 454 CO 0.05 -0.78 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.05 3ir5 s LEU 455 N 3.10 2.69 0.06 3.17 2.01 0.94 -4.96 118.68 125.70 3ir5 s LEU 455 Ca 0.33 -0.27 -0.30 0.00 0.01 0.00 0.00 54.13 53.90 3ir5 s LEU 455 Cb -0.13 -1.57 -0.05 0.00 0.01 0.00 0.00 46.19 44.45 3ir5 s LEU 455 CO 0.15 0.26 1.04 -2.16 1.01 0.00 0.00 176.35 176.65 3ir5 s PRO 456 N -0.23 4.56 0.33 1.29 0.04 -1.26 -0.77 135.00 138.96 3ir5 s PRO 456 Ca 0.01 1.55 0.03 0.00 0.04 0.00 0.00 61.00 62.63 3ir5 s PRO 456 Cb -0.13 -3.40 -0.04 0.00 0.04 0.00 0.00 34.50 30.97 3ir5 s PRO 456 CO 0.03 -0.04 0.11 0.14 0.04 0.00 0.00 177.00 177.28 3ir5 s VAL 457 N 0.69 0.68 -0.01 -0.36 -7.23 -0.71 -4.69 120.40 108.78 3ir5 s VAL 457 Ca 0.52 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 3ir5 s VAL 457 Cb -0.24 -2.57 0.01 0.00 0.56 0.00 0.00 36.38 34.14 3ir5 s VAL 457 CO 0.29 0.00 -0.00 -0.54 -0.31 0.00 0.00 175.10 174.54 3ir5 s LYS 458 N -3.85 0.14 0.05 4.82 1.02 -1.07 -0.49 119.74 120.37 3ir5 s LYS 458 Ca 0.33 0.02 -0.18 0.00 0.02 0.00 0.00 55.97 56.16 3ir5 s LYS 458 Cb 0.06 -0.23 -0.06 0.00 -0.52 0.00 0.00 37.83 37.07 3ir5 s LYS 458 CO 0.15 -0.04 0.53 0.50 -0.92 0.00 0.00 175.35 175.57 3ir5 s ARG 459 N 0.41 4.13 0.12 1.68 3.52 -1.26 -1.90 118.95 125.65 3ir5 s ARG 459 Ca -0.04 0.65 0.07 0.00 -0.13 0.00 0.00 55.73 56.28 3ir5 s ARG 459 Cb -0.06 -3.24 -0.04 0.00 -1.56 0.00 0.00 34.95 30.06 3ir5 s ARG 459 CO -0.01 0.65 -0.16 -0.51 -0.81 0.00 0.00 175.30 174.46 3ir5 s LEU 460 N -1.07 2.38 -0.46 -0.88 1.43 0.50 -4.96 118.68 115.61 3ir5 s LEU 460 Ca 0.28 -0.78 -0.21 0.00 -1.03 0.00 0.00 54.13 52.39 3ir5 s LEU 460 Cb -0.19 -0.65 0.03 0.00 0.03 0.00 0.00 46.19 45.41 3ir5 s LEU 460 CO 0.17 -0.08 0.69 -1.10 0.23 0.00 0.00 176.35 176.26 3ir5 s GLN 461 N -2.45 3.27 1.10 1.70 -1.52 -1.26 -1.91 119.66 118.58 3ir5 s GLN 461 Ca 0.08 -0.42 -0.18 0.00 -1.95 0.00 0.00 55.36 52.89 3ir5 s GLN 461 Cb -0.06 -3.98 0.27 0.00 -0.22 0.00 0.00 33.01 29.01 3ir5 s GLN 461 CO 0.04 -1.11 0.99 1.28 -0.25 0.00 0.00 175.29 176.24 3ir5 n LEU 462 N 6.42 0.00 -0.67 2.90 4.77 -0.43 -4.49 117.00 125.50 3ir5 n LEU 462 Ca -0.02 -1.05 0.11 0.00 -0.03 0.00 0.00 56.01 55.02 3ir5 n LEU 462 Cb 0.47 -0.90 0.34 0.00 -2.33 0.00 0.00 43.42 41.00 3ir5 n LEU 462 CO 0.55 -2.02 0.76 0.00 -1.33 0.00 0.00 177.39 175.35 3ir5 n ALA 463 N -4.65 2.50 -1.13 -1.18 0.00 0.11 -3.76 120.51 112.41 3ir5 n ALA 463 Ca -0.18 -0.61 0.09 0.00 0.00 0.00 0.00 53.44 52.74 3ir5 n ALA 463 Cb 0.53 -1.04 0.13 0.00 0.00 0.00 0.00 19.45 19.07 3ir5 n ALA 463 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3ir5 n ASP 464 N 0.55 2.21 0.00 0.00 3.85 -1.26 -4.84 116.55 117.06 3ir5 n ASP 464 Ca 0.17 -3.06 0.00 0.00 -0.71 0.00 0.00 54.79 51.19 3ir5 n ASP 464 Cb 0.38 -0.42 0.00 0.00 -1.35 0.00 0.00 41.12 39.73 3ir5 n ASP 464 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ir5 n GLY 465 N -1.36 2.88 3.84 6.12 0.00 -1.25 -5.01 105.19 110.42 3ir5 n GLY 465 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3ir5 n GLY 465 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ir5 s SER 466 N -2.47 4.55 0.02 1.61 1.04 -1.26 -4.83 113.70 112.36 3ir5 s SER 466 Ca 0.00 1.10 0.06 0.00 0.48 0.00 0.00 55.95 57.59 3ir5 s SER 466 Cb 0.00 -1.78 -0.02 0.00 0.10 0.00 0.00 66.02 64.32 3ir5 s SER 466 CO 0.00 -1.91 -0.18 0.28 0.98 0.00 0.00 173.24 172.41 3ir5 s THR 467 N -3.31 1.45 0.08 2.02 -1.32 -1.26 -1.31 115.64 111.99 3ir5 s THR 467 Ca 0.61 -1.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.01 3ir5 s THR 467 Cb -0.13 -1.25 -0.00 0.00 -1.51 0.00 0.00 72.50 69.61 3ir5 s THR 467 CO 0.52 0.23 0.18 0.00 -2.21 0.00 0.00 174.62 173.34 3ir5 s ALA 468 N -0.67 -0.19 -0.12 11.08 0.00 -0.80 -4.95 121.76 126.10 3ir5 s ALA 468 Ca 0.06 -0.62 -0.09 0.00 0.00 0.00 0.00 51.96 51.31 3ir5 s ALA 468 Cb -0.08 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 3ir5 s ALA 468 CO 0.01 -0.48 0.19 -0.51 0.00 0.00 0.00 175.76 174.96 3ir5 s LEU 469 N -2.78 4.36 0.32 0.00 1.43 -1.26 -0.37 118.68 120.38 3ir5 s LEU 469 Ca 0.04 0.50 0.03 0.00 -1.03 0.00 0.00 54.13 53.67 3ir5 s LEU 469 Cb 0.04 -2.17 -0.06 0.00 0.03 0.00 0.00 46.19 44.03 3ir5 s LEU 469 CO -0.10 0.33 0.07 0.68 0.23 0.00 0.00 176.35 177.56 3ir5 s VAL 470 N -0.67 1.07 0.04 -1.59 -7.23 -0.80 0.51 120.40 111.73 3ir5 s VAL 470 Ca 0.15 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.04 3ir5 s VAL 470 Cb -0.13 -2.76 0.09 0.00 0.56 0.00 0.00 36.38 34.15 3ir5 s VAL 470 CO 0.04 0.00 0.91 0.28 -0.31 0.00 0.00 175.10 176.03 3ir5 s THR 471 N -3.37 0.00 0.56 5.32 -1.32 -0.29 -2.59 115.64 113.96 3ir5 s THR 471 Ca 0.36 -0.18 -0.12 0.00 -1.21 0.00 0.00 61.69 60.54 3ir5 s THR 471 Cb 0.08 -1.29 -0.05 0.00 -1.51 0.00 0.00 72.50 69.73 3ir5 s THR 471 CO 0.15 0.00 0.98 0.42 -2.21 0.00 0.00 174.62 173.96 3ir5 s THR 472 N -3.16 4.67 0.36 5.08 -4.23 -1.26 0.12 115.64 117.22 3ir5 s THR 472 Ca 0.07 0.92 0.05 0.00 -1.18 0.00 0.00 61.69 61.56 3ir5 s THR 472 Cb -0.01 -3.81 0.19 0.00 1.34 0.00 0.00 72.50 70.22 3ir5 s THR 472 CO -0.06 -0.92 1.94 0.58 -0.54 0.00 0.00 174.62 175.61 3ir5 h VAL 473 N 0.24 1.17 0.07 2.29 2.07 -0.83 -1.88 116.25 119.39 3ir5 h VAL 473 Ca -0.45 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 66.49 3ir5 h VAL 473 Cb 1.19 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3ir5 h VAL 473 CO 0.62 0.21 -0.16 0.22 0.02 0.00 0.00 177.57 178.48 3ir5 h TYR 474 N 0.52 -0.42 -0.42 1.57 3.20 -1.36 0.30 116.97 120.36 3ir5 h TYR 474 Ca 0.12 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3ir5 h TYR 474 Cb 0.20 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 3ir5 h TYR 474 CO 0.01 -0.24 0.17 -0.44 -1.64 0.00 0.00 178.16 176.02 3ir5 h ASP 475 N -0.31 0.57 -0.61 -2.11 3.32 -1.74 -1.07 116.42 114.48 3ir5 h ASP 475 Ca 0.03 -0.16 0.05 0.00 0.02 0.00 0.00 57.03 56.96 3ir5 h ASP 475 Cb 0.33 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 3ir5 h ASP 475 CO -0.10 0.58 0.40 -0.07 -1.72 0.00 0.00 179.24 178.33 3ir5 h LEU 476 N 0.53 0.57 -0.07 1.55 4.07 -1.05 -1.54 115.31 119.36 3ir5 h LEU 476 Ca 0.14 -0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.05 3ir5 h LEU 476 Cb 0.18 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 41.80 3ir5 h LEU 476 CO -0.01 0.38 -0.13 0.74 -1.08 0.00 0.00 178.44 178.34 3ir5 h THR 477 N 0.66 1.40 0.00 0.22 2.02 0.35 -0.95 112.91 116.61 3ir5 h THR 477 Ca 0.25 -1.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.00 3ir5 h THR 477 Cb 0.17 2.15 -0.00 0.00 -1.74 0.00 0.00 68.15 68.72 3ir5 h THR 477 CO -0.07 0.39 -0.16 -0.07 0.37 0.00 0.00 175.52 175.98 3ir5 h LEU 478 N -0.25 0.00 -0.03 2.58 4.07 -0.98 -1.95 115.31 118.75 3ir5 h LEU 478 Ca 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.92 3ir5 h LEU 478 Cb 0.69 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.44 3ir5 h LEU 478 CO 0.03 0.16 -0.16 0.00 -1.08 0.00 0.00 178.44 177.39 3ir5 h ALA 479 N 1.84 0.06 -0.60 1.53 0.00 -1.20 0.06 119.26 120.94 3ir5 h ALA 479 Ca -0.00 -0.40 0.10 0.00 0.00 0.00 0.00 54.91 54.61 3ir5 h ALA 479 Cb 0.31 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3ir5 h ALA 479 CO 0.02 0.01 0.40 -0.97 0.00 0.00 0.00 179.25 178.71 3ir5 h ASN 480 N -0.45 0.37 1.48 0.00 -1.24 -0.89 0.60 115.58 115.44 3ir5 h ASN 480 Ca -0.01 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3ir5 h ASN 480 Cb 0.84 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.82 3ir5 h ASN 480 CO 0.03 0.22 -0.06 1.88 -1.29 0.00 0.00 177.43 178.22 3ir5 h TYR 481 N 0.41 0.00 0.00 0.67 -1.99 -1.33 -3.44 116.97 111.29 3ir5 h TYR 481 Ca 0.28 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.01 3ir5 h TYR 481 Cb 0.55 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.28 3ir5 h TYR 481 CO -0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 3ir5 n GLY 482 N 1.29 1.03 3.64 3.88 0.00 0.20 -3.78 105.19 111.45 3ir5 n GLY 482 Ca 0.05 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 3ir5 n GLY 482 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ir5 s LEU 483 N 0.00 4.08 -0.12 0.99 2.01 -0.02 -1.72 118.68 123.89 3ir5 s LEU 483 Ca 0.00 1.02 -0.30 0.00 0.01 0.00 0.00 54.13 54.86 3ir5 s LEU 483 Cb 0.00 -3.21 -0.02 0.00 0.01 0.00 0.00 46.19 42.97 3ir5 s LEU 483 CO 0.00 -0.55 1.25 -0.70 1.01 0.00 0.00 176.35 177.36 3ir5 s GLU 484 N 2.91 4.28 0.00 1.70 2.56 -1.26 -4.71 118.70 124.17 3ir5 s GLU 484 Ca 0.35 1.68 0.09 0.00 0.00 0.00 0.00 54.97 57.10 3ir5 s GLU 484 Cb -0.15 -3.68 0.22 0.00 2.00 0.00 0.00 34.13 32.52 3ir5 s GLU 484 CO 0.08 -0.61 1.14 0.54 -0.56 0.00 0.00 175.26 175.85 3ir5 n ARG 485 N 6.04 2.44 0.00 4.30 1.74 -1.26 -4.97 116.66 124.95 3ir5 n ARG 485 Ca 0.13 -1.80 0.00 0.00 -0.77 0.00 0.00 57.85 55.41 3ir5 n ARG 485 Cb 0.45 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 3ir5 n ARG 485 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ir5 n GLY 486 N 0.37 0.94 1.22 -0.13 0.00 -1.26 -4.98 105.19 101.34 3ir5 n GLY 486 Ca 0.09 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.20 3ir5 n GLY 486 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ir5 n LEU 487 N 0.00 3.55 -3.64 0.99 4.32 -1.26 -4.95 117.00 116.01 3ir5 n LEU 487 Ca 0.00 -1.78 -0.28 0.00 -0.02 0.00 0.00 56.01 53.93 3ir5 n LEU 487 Cb 0.00 -0.45 0.04 0.00 -1.62 0.00 0.00 43.42 41.39 3ir5 n LEU 487 CO 0.00 0.79 -0.05 0.59 -1.22 0.00 0.00 177.39 177.50 3ir5 n ASN 488 N 1.19 -5.51 -4.59 -1.43 3.02 -1.26 -4.88 115.26 101.80 3ir5 n ASN 488 Ca 0.21 -0.93 -0.43 0.00 -0.03 0.00 0.00 54.58 53.40 3ir5 n ASN 488 Cb 0.60 -3.36 -0.04 0.00 -0.61 0.00 0.00 39.78 36.37 3ir5 n ASN 488 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ir5 s ASP 489 N -3.37 6.62 0.41 6.41 3.68 -1.26 -4.93 116.67 124.22 3ir5 s ASP 489 Ca 0.39 0.44 0.13 0.00 2.13 0.00 0.00 52.55 55.64 3ir5 s ASP 489 Cb -0.14 -2.45 0.97 0.00 -1.45 0.00 0.00 42.92 39.84 3ir5 s ASP 489 CO 0.86 -0.88 1.94 0.58 0.13 0.00 0.00 175.17 177.79 3ir5 h VAL 490 N 5.87 0.86 -0.39 1.11 2.07 -1.89 -1.19 116.25 122.70 3ir5 h VAL 490 Ca -0.24 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3ir5 h VAL 490 Cb 1.08 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3ir5 h VAL 490 CO 0.98 0.09 0.00 0.59 0.02 0.00 0.00 177.57 179.25 3ir5 n ASN 491 N -4.49 2.38 -4.85 0.57 3.02 -1.26 -4.88 115.26 105.76 3ir5 n ASN 491 Ca 0.13 -2.08 -0.25 0.00 -0.03 0.00 0.00 54.58 52.35 3ir5 n ASN 491 Cb 0.43 -0.32 -0.04 0.00 -0.61 0.00 0.00 39.78 39.23 3ir5 n ASN 491 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ir5 s ALA 493 N -1.84 3.17 -0.55 0.00 0.00 -0.70 -4.91 121.76 116.93 3ir5 s ALA 493 Ca 0.32 0.50 0.19 0.00 0.00 0.00 0.00 51.96 52.97 3ir5 s ALA 493 Cb -0.10 -3.18 -0.24 0.00 0.00 0.00 0.00 23.12 19.60 3ir5 s ALA 493 CO 0.25 0.16 0.65 0.25 0.00 0.00 0.00 175.76 177.07 3ir5 n THR 494 N 0.29 0.00 -3.58 0.00 -2.24 -1.26 -4.27 114.28 103.21 3ir5 n THR 494 Ca 0.03 -0.21 -0.06 0.00 -2.27 0.00 0.00 64.05 61.54 3ir5 n THR 494 Cb 0.51 0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 69.35 3ir5 n THR 494 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ir5 s SER 495 N -3.35 -0.25 0.64 3.42 1.04 -1.26 -5.00 113.70 108.93 3ir5 s SER 495 Ca 0.01 -0.08 0.42 0.00 0.48 0.00 0.00 55.95 56.79 3ir5 s SER 495 Cb 0.13 0.32 2.19 0.00 0.10 0.00 0.00 66.02 68.77 3ir5 s SER 495 CO 0.79 -0.54 2.29 1.88 0.98 0.00 0.00 173.24 178.63 3ir5 h TYR 496 N 2.00 0.00 -0.00 5.02 0.99 -2.01 -0.42 116.97 122.55 3ir5 h TYR 496 Ca -0.20 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.53 3ir5 h TYR 496 Cb 1.22 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.95 3ir5 h TYR 496 CO 0.29 0.00 -0.11 -0.25 -0.00 0.00 0.00 178.16 178.09 3ir5 n ASP 497 N -3.10 0.26 -4.60 3.88 8.00 -1.26 -1.99 116.55 117.74 3ir5 n ASP 497 Ca -0.02 -0.20 -0.43 0.00 0.71 0.00 0.00 54.79 54.85 3ir5 n ASP 497 Cb 0.13 -0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 41.03 3ir5 n ASP 497 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ir5 s ASP 498 N -2.68 6.39 -0.76 -2.24 -1.08 -0.17 -4.83 116.67 111.31 3ir5 s ASP 498 Ca 0.23 0.87 -0.26 0.00 -0.52 0.00 0.00 52.55 52.88 3ir5 s ASP 498 Cb 0.20 -2.54 -0.08 0.00 -1.46 0.00 0.00 42.92 39.04 3ir5 s ASP 498 CO 0.51 -1.38 2.15 -0.69 0.52 0.00 0.00 175.17 176.29 3ir5 s VAL 499 N 5.25 3.22 0.21 1.11 1.01 -1.26 -4.55 120.40 125.39 3ir5 s VAL 499 Ca 0.60 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 62.32 3ir5 s VAL 499 Cb -0.14 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.74 3ir5 s VAL 499 CO 0.31 -0.50 0.51 -0.54 0.00 0.00 0.00 175.10 174.88 3ir5 s LYS 500 N 7.83 1.42 0.00 2.72 1.02 -1.26 -4.95 119.74 126.52 3ir5 s LYS 500 Ca 0.81 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 55.82 3ir5 s LYS 500 Cb -0.11 0.50 0.00 0.00 -0.52 0.00 0.00 37.83 37.70 3ir5 s LYS 500 CO 0.10 -0.60 0.24 0.00 -0.92 0.00 0.00 175.35 174.17 3ir5 n ALA 501 N -0.34 0.00 0.00 5.17 0.00 -1.26 -0.62 120.51 123.46 3ir5 n ALA 501 Ca -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3ir5 n ALA 501 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 3ir5 n ALA 501 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ir5 n TYR 502 N 1.85 0.00 -3.57 0.00 4.02 -1.25 -2.31 117.16 115.90 3ir5 n TYR 502 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.69 3ir5 n TYR 502 Cb 0.12 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.43 3ir5 n TYR 502 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3ir5 s THR 503 N -0.72 3.89 0.42 -0.72 -4.23 0.21 -4.16 115.64 110.33 3ir5 s THR 503 Ca 0.00 -1.11 0.09 0.00 -1.18 0.00 0.00 61.69 59.48 3ir5 s THR 503 Cb 0.00 -3.33 0.28 0.00 1.34 0.00 0.00 72.50 70.78 3ir5 s THR 503 CO 0.00 -0.16 2.05 -0.65 -0.54 0.00 0.00 174.62 175.32 3ir5 h PRO 504 N 1.00 0.50 -0.17 3.99 0.11 -1.82 0.52 132.00 136.13 3ir5 h PRO 504 Ca -0.45 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 3ir5 h PRO 504 Cb 1.26 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ir5 h PRO 504 CO 0.54 0.33 -0.28 0.00 -0.21 0.00 0.00 178.00 178.39 3ir5 h ALA 505 N 1.74 0.26 -0.68 -0.75 0.00 -1.70 -1.03 119.26 117.10 3ir5 h ALA 505 Ca 0.17 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3ir5 h ALA 505 Cb 0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3ir5 h ALA 505 CO -0.04 0.26 0.44 2.35 0.00 0.00 0.00 179.25 182.26 3ir5 h TRP 506 N 0.12 0.84 -0.10 0.00 7.01 -1.48 -2.54 115.95 119.80 3ir5 h TRP 506 Ca 0.01 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 60.92 3ir5 h TRP 506 Cb 0.86 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.63 3ir5 h TRP 506 CO 0.09 0.51 -0.45 0.00 -2.79 0.00 0.00 178.44 175.81 3ir5 h ALA 507 N 1.26 1.06 -0.43 2.65 0.00 0.05 -2.80 119.26 121.05 3ir5 h ALA 507 Ca 0.26 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3ir5 h ALA 507 Cb -0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3ir5 h ALA 507 CO -0.07 0.61 0.23 1.49 0.00 0.00 0.00 179.25 181.51 3ir5 h GLU 508 N 0.19 0.59 -0.16 0.00 4.81 -0.76 0.19 114.58 119.44 3ir5 h GLU 508 Ca 0.01 -0.06 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 3ir5 h GLU 508 Cb 0.87 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.13 3ir5 h GLU 508 CO 0.07 0.45 -0.71 1.96 -0.73 0.00 0.00 179.01 180.05 3ir5 h GLN 509 N 0.60 0.69 0.17 1.92 4.20 -1.33 0.30 115.11 121.66 3ir5 h GLN 509 Ca 0.15 -0.53 -0.31 0.00 0.06 0.00 0.00 58.65 58.02 3ir5 h GLN 509 Cb 0.03 0.10 0.03 0.00 0.30 0.00 0.00 27.48 27.95 3ir5 h GLN 509 CO -0.02 1.15 -1.33 0.82 -0.67 0.00 0.00 178.83 178.78 3ir5 h ILE 510 N 0.49 1.28 0.00 2.54 1.08 -1.27 -3.39 117.51 118.24 3ir5 h ILE 510 Ca -0.03 -2.54 -0.36 0.00 -0.39 0.00 0.00 64.86 61.54 3ir5 h ILE 510 Cb 1.31 2.81 -0.07 0.00 -3.07 0.00 0.00 36.82 37.81 3ir5 h ILE 510 CO 0.14 0.77 -2.28 0.35 -0.69 0.00 0.00 178.15 176.44 3ir5 n THR 511 N -3.77 1.45 -0.57 -0.27 -2.24 0.60 -4.48 114.28 105.00 3ir5 n THR 511 Ca -0.15 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 3ir5 n THR 511 Cb 1.03 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 3ir5 n THR 511 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ir5 n GLY 512 N 1.79 0.69 3.65 3.38 0.00 0.09 -1.42 105.19 113.37 3ir5 n GLY 512 Ca -0.32 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 3ir5 n GLY 512 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ir5 s VAL 513 N -2.00 5.29 0.08 1.61 1.01 -1.25 -4.93 120.40 120.21 3ir5 s VAL 513 Ca 0.00 0.16 -0.37 0.00 0.00 0.00 0.00 61.98 61.77 3ir5 s VAL 513 Cb 0.00 -3.47 -0.18 0.00 0.00 0.00 0.00 36.38 32.74 3ir5 s VAL 513 CO 0.00 0.35 1.18 -0.24 0.00 0.00 0.00 175.10 176.39 3ir5 n SER 514 N 4.30 0.91 -0.33 3.32 2.88 -1.26 -4.14 113.62 119.29 3ir5 n SER 514 Ca -0.15 1.14 0.04 0.00 -1.33 0.00 0.00 58.87 58.56 3ir5 n SER 514 Cb 0.52 -1.09 0.18 0.00 -0.75 0.00 0.00 64.21 63.07 3ir5 n SER 514 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 3ir5 h ARG 515 N 3.67 0.92 0.00 -1.46 0.11 -1.95 -0.74 114.38 114.93 3ir5 h ARG 515 Ca -0.47 -0.06 -0.02 0.00 0.10 0.00 0.00 59.98 59.54 3ir5 h ARG 515 Cb 1.37 -0.21 -0.00 0.00 1.11 0.00 0.00 29.97 32.24 3ir5 h ARG 515 CO 0.71 0.61 -0.08 0.66 0.10 0.00 0.00 179.97 181.97 3ir5 h SER 516 N 0.94 0.00 -0.06 0.08 4.64 -1.91 0.22 113.55 117.46 3ir5 h SER 516 Ca 0.43 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.64 3ir5 h SER 516 Cb 0.34 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3ir5 h SER 516 CO -0.23 0.08 -0.38 1.56 -0.87 0.00 0.00 176.83 177.00 3ir5 h GLN 517 N 0.00 0.36 -0.98 4.77 1.08 -1.51 -0.72 115.11 118.10 3ir5 h GLN 517 Ca -0.00 -0.31 0.06 0.00 -1.45 0.00 0.00 58.65 56.95 3ir5 h GLN 517 Cb 0.15 0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.59 3ir5 h GLN 517 CO 0.01 0.96 0.64 0.82 -0.95 0.00 0.00 178.83 180.31 3ir5 h ILE 518 N -0.14 1.10 -0.18 2.54 2.04 -0.49 -2.00 117.51 120.38 3ir5 h ILE 518 Ca -0.03 -0.40 -0.21 0.00 1.00 0.00 0.00 64.86 65.22 3ir5 h ILE 518 Cb 1.05 -0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3ir5 h ILE 518 CO 0.08 0.21 -0.71 0.40 0.00 0.00 0.00 178.15 178.13 3ir5 h ILE 519 N 1.17 1.28 -0.08 -0.67 2.04 -0.56 -2.38 117.51 118.31 3ir5 h ILE 519 Ca 0.42 -1.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.36 3ir5 h ILE 519 Cb 0.14 1.91 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 3ir5 h ILE 519 CO -0.16 0.61 0.02 -0.09 0.00 0.00 0.00 178.15 178.53 3ir5 h ARG 520 N 0.55 0.12 -0.36 2.37 2.43 -0.68 -1.70 114.38 117.11 3ir5 h ARG 520 Ca -0.04 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 3ir5 h ARG 520 Cb 1.34 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 3ir5 h ARG 520 CO 0.15 0.31 -0.28 0.82 -1.51 0.00 0.00 179.97 179.46 3ir5 h ILE 521 N -0.09 1.28 -0.14 1.20 1.08 -1.49 -1.36 117.51 117.99 3ir5 h ILE 521 Ca 0.02 -1.42 0.02 0.00 -0.39 0.00 0.00 64.86 63.10 3ir5 h ILE 521 Cb 0.24 1.30 -0.02 0.00 -3.07 0.00 0.00 36.82 35.27 3ir5 h ILE 521 CO 0.00 0.47 -0.00 0.00 -0.69 0.00 0.00 178.15 177.93 3ir5 h ALA 522 N 1.03 0.12 0.70 1.87 0.00 -1.34 0.69 119.26 122.32 3ir5 h ALA 522 Ca 0.08 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3ir5 h ALA 522 Cb 0.81 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.67 3ir5 h ALA 522 CO 0.07 -0.45 -0.34 0.00 0.00 0.00 0.00 179.25 178.53 3ir5 h ARG 523 N 0.04 -0.91 -0.53 0.00 3.08 -1.14 -2.40 114.38 112.52 3ir5 h ARG 523 Ca 0.06 0.06 0.11 0.00 0.07 0.00 0.00 59.98 60.28 3ir5 h ARG 523 Cb 0.08 0.21 -0.10 0.00 0.08 0.00 0.00 29.97 30.24 3ir5 h ARG 523 CO -0.11 -0.59 -0.12 0.93 -1.07 0.00 0.00 179.97 179.00 3ir5 h GLU 524 N -0.99 0.01 -0.23 0.04 5.08 -1.14 0.49 114.58 117.85 3ir5 h GLU 524 Ca -0.10 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3ir5 h GLU 524 Cb 0.74 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 3ir5 h GLU 524 CO 0.16 0.01 -0.06 0.35 -1.00 0.00 0.00 179.01 178.47 3ir5 h PHE 525 N 0.01 -0.13 -0.44 4.33 3.57 -0.82 0.32 116.94 123.78 3ir5 h PHE 525 Ca 0.26 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.64 3ir5 h PHE 525 Cb 0.40 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3ir5 h PHE 525 CO -0.44 -0.10 -0.29 0.00 -2.23 0.00 0.00 178.31 175.25 3ir5 h ALA 526 N 1.22 0.65 -0.25 2.41 0.00 -0.82 -1.83 119.26 120.64 3ir5 h ALA 526 Ca 0.11 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3ir5 h ALA 526 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3ir5 h ALA 526 CO -0.24 0.68 0.16 0.22 0.00 0.00 0.00 179.25 180.07 3ir5 h ASP 527 N 0.81 0.30 -0.29 0.00 -0.00 0.29 0.29 116.42 117.82 3ir5 h ASP 527 Ca 0.09 -0.03 0.01 0.00 -0.00 0.00 0.00 57.03 57.11 3ir5 h ASP 527 Cb 0.87 -0.07 -0.02 0.00 -0.00 0.00 0.00 39.33 40.11 3ir5 h ASP 527 CO 0.08 0.23 0.16 -1.13 -0.00 0.00 0.00 179.24 178.58 3ir5 h ASN 528 N 0.33 0.26 -0.47 2.28 -1.24 -0.86 -0.46 115.58 115.42 3ir5 h ASN 528 Ca 0.09 0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.14 3ir5 h ASN 528 Cb -0.02 -0.05 -0.04 0.00 0.73 0.00 0.00 38.32 38.95 3ir5 h ASN 528 CO -0.02 0.19 0.25 0.00 -1.29 0.00 0.00 177.43 176.56 3ir5 h ALA 529 N 1.13 0.60 -0.35 1.57 0.00 -0.99 -0.64 119.26 120.59 3ir5 h ALA 529 Ca 0.11 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ir5 h ALA 529 Cb 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3ir5 h ALA 529 CO -0.06 -0.10 0.21 0.22 0.00 0.00 0.00 179.25 179.52 3ir5 h ASP 530 N 0.49 0.42 -0.79 0.00 3.58 -0.58 0.48 116.42 120.02 3ir5 h ASP 530 Ca 0.20 -0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.56 3ir5 h ASP 530 Cb 0.10 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.00 3ir5 h ASP 530 CO -0.13 0.35 0.35 0.11 -2.88 0.00 0.00 179.24 177.03 3ir5 h LYS 531 N 0.45 1.17 -0.30 0.28 1.57 -0.63 -3.14 116.57 115.98 3ir5 h LYS 531 Ca 0.12 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3ir5 h LYS 531 Cb 0.01 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.12 3ir5 h LYS 531 CO -0.02 0.93 0.00 0.25 -0.57 0.00 0.00 179.45 180.04 3ir5 n THR 532 N -4.29 0.44 -3.18 -0.16 -2.24 -0.29 -4.99 114.28 99.56 3ir5 n THR 532 Ca 0.08 -0.72 -0.14 0.00 -2.27 0.00 0.00 64.05 60.99 3ir5 n THR 532 Cb 0.17 1.02 0.07 0.00 -2.10 0.00 0.00 70.33 69.49 3ir5 n THR 532 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3ir5 n HIS 533 N 1.26 -2.17 -0.33 4.78 8.25 0.13 -4.12 115.22 123.03 3ir5 n HIS 533 Ca 0.16 0.82 0.00 0.00 -0.26 0.00 0.00 57.72 58.44 3ir5 n HIS 533 Cb 0.54 -4.31 0.00 0.00 1.12 0.00 0.00 29.99 27.35 3ir5 n HIS 533 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ir5 n GLY 534 N -1.20 0.82 2.52 -1.41 0.00 0.89 -4.91 105.19 101.89 3ir5 n GLY 534 Ca -0.14 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 3ir5 n GLY 534 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ir5 n ARG 535 N -2.33 2.61 -5.13 1.61 1.74 -1.26 -3.67 116.66 110.23 3ir5 n ARG 535 Ca 0.00 -2.53 -0.32 0.00 -0.77 0.00 0.00 57.85 54.24 3ir5 n ARG 535 Cb 0.00 -2.19 -0.16 0.00 -1.02 0.00 0.00 32.46 29.09 3ir5 n ARG 535 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3ir5 s SER 536 N 0.25 3.37 0.06 0.55 0.01 -1.18 -1.98 113.70 114.78 3ir5 s SER 536 Ca 0.58 -0.42 0.03 0.00 1.31 0.00 0.00 55.95 57.45 3ir5 s SER 536 Cb 0.37 -0.91 -0.03 0.00 0.21 0.00 0.00 66.02 65.67 3ir5 s SER 536 CO -0.23 0.26 -0.09 -0.32 0.41 0.00 0.00 173.24 173.27 3ir5 s MET 537 N -0.24 0.66 -0.13 12.44 0.00 0.15 -1.48 119.30 130.70 3ir5 s MET 537 Ca -0.01 -0.91 -0.00 0.00 0.00 0.00 0.00 55.69 54.77 3ir5 s MET 537 Cb -0.13 -0.44 0.03 0.00 0.00 0.00 0.00 34.83 34.29 3ir5 s MET 537 CO 0.03 0.08 -0.08 0.42 0.00 0.00 0.00 175.02 175.46 3ir5 s ILE 538 N -1.70 1.17 -0.34 10.11 1.01 -0.86 -1.69 121.20 128.90 3ir5 s ILE 538 Ca -0.04 -0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.01 3ir5 s ILE 538 Cb -0.08 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 3ir5 s ILE 538 CO 0.00 0.32 0.34 -0.63 0.00 0.00 0.00 174.94 174.98 3ir5 s ILE 539 N 1.64 5.19 0.10 2.92 1.01 0.21 -0.91 121.20 131.35 3ir5 s ILE 539 Ca 0.04 0.03 0.09 0.00 0.00 0.00 0.00 60.65 60.80 3ir5 s ILE 539 Cb -0.13 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 3ir5 s ILE 539 CO -0.09 -0.07 -0.22 0.54 0.00 0.00 0.00 174.94 175.10 3ir5 s VAL 540 N 1.98 1.84 0.00 2.92 0.11 -0.68 0.05 120.40 126.61 3ir5 s VAL 540 Ca 0.11 -1.55 0.00 0.00 -2.93 0.00 0.00 61.98 57.61 3ir5 s VAL 540 Cb -0.17 -1.65 0.00 0.00 -1.53 0.00 0.00 36.38 33.03 3ir5 s VAL 540 CO 0.11 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.51 3ir5 n GLY 541 N 1.16 5.46 0.10 6.54 0.00 -0.92 -2.42 105.19 115.10 3ir5 n GLY 541 Ca -0.19 -1.41 0.08 0.00 0.00 0.00 0.00 46.02 44.51 3ir5 n GLY 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ir5 n ALA 542 N -3.00 1.23 0.26 4.61 0.00 -1.24 -1.81 120.51 120.57 3ir5 n ALA 542 Ca 0.00 0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.64 3ir5 n ALA 542 Cb 0.00 -1.25 0.69 0.00 0.00 0.00 0.00 19.45 18.89 3ir5 n ALA 542 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ir5 h GLY 543 N 0.76 0.00 0.00 0.00 0.00 -1.73 -2.47 103.07 99.62 3ir5 h GLY 543 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 3ir5 h GLY 543 CO 0.00 0.00 -1.91 1.04 0.00 0.00 0.00 176.54 175.67 3ir5 n LEU 544 N -4.12 2.77 0.00 3.11 4.32 -0.75 -4.66 117.00 117.68 3ir5 n LEU 544 Ca -0.03 -0.05 0.09 0.00 -0.02 0.00 0.00 56.01 56.01 3ir5 n LEU 544 Cb 0.16 -0.55 0.49 0.00 -1.62 0.00 0.00 43.42 41.91 3ir5 n LEU 544 CO 0.32 0.72 0.79 -3.20 -1.22 0.00 0.00 177.39 174.80 3ir5 n ASN 545 N -3.06 0.00 -1.35 -1.43 5.15 -0.76 -3.23 115.26 110.58 3ir5 n ASN 545 Ca -0.29 -0.06 0.08 0.00 -0.60 0.00 0.00 54.58 53.72 3ir5 n ASN 545 Cb 0.79 -0.25 0.32 0.00 -0.53 0.00 0.00 39.78 40.10 3ir5 n ASN 545 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3ir5 n HIS 546 N -1.25 1.34 -3.27 1.20 8.25 -0.93 -4.80 115.22 115.76 3ir5 n HIS 546 Ca 0.10 -0.69 -0.24 0.00 -0.26 0.00 0.00 57.72 56.63 3ir5 n HIS 546 Cb 0.14 -0.29 -0.01 0.00 1.12 0.00 0.00 29.99 30.95 3ir5 n HIS 546 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3ir5 s TRP 547 N -2.19 3.43 0.27 4.41 0.52 -1.20 -0.73 118.94 123.44 3ir5 s TRP 547 Ca 0.46 0.32 -0.04 0.00 0.02 0.00 0.00 56.10 56.86 3ir5 s TRP 547 Cb 0.32 -2.01 0.34 0.00 -1.15 0.00 0.00 33.47 30.97 3ir5 s TRP 547 CO 0.17 -0.00 1.87 -0.92 0.02 0.00 0.00 176.95 178.09 3ir5 h TYR 548 N 0.66 1.05 -0.92 -1.98 5.03 -1.92 -2.66 116.97 116.23 3ir5 h TYR 548 Ca -0.49 -0.04 -0.62 0.00 2.58 0.00 0.00 58.73 60.17 3ir5 h TYR 548 Cb 1.23 -0.33 -0.27 0.00 1.55 0.00 0.00 36.73 38.91 3ir5 h TYR 548 CO 0.50 0.76 0.80 0.72 -1.32 0.00 0.00 178.16 179.61 3ir5 n HIS 549 N -4.33 2.98 -0.26 -3.82 8.25 -1.26 -4.67 115.22 112.12 3ir5 n HIS 549 Ca 0.07 -2.79 0.23 0.00 -0.26 0.00 0.00 57.72 54.98 3ir5 n HIS 549 Cb 0.13 -1.35 0.57 0.00 1.12 0.00 0.00 29.99 30.47 3ir5 n HIS 549 CO 0.00 0.00 0.00 1.37 0.64 0.00 0.00 176.34 178.35 3ir5 h LEU 550 N 1.98 0.30 -1.31 2.41 -0.00 -1.71 0.69 115.31 117.68 3ir5 h LEU 550 Ca 0.57 0.04 -0.03 0.00 -0.00 0.00 0.00 57.88 58.46 3ir5 h LEU 550 Cb 0.99 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.62 3ir5 h LEU 550 CO 1.44 0.10 0.13 0.44 -0.00 0.00 0.00 178.44 180.54 3ir5 h ASP 551 N 0.29 0.54 -0.15 0.17 3.32 -1.88 0.73 116.42 119.44 3ir5 h ASP 551 Ca 0.50 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.36 3ir5 h ASP 551 Cb 1.45 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3ir5 h ASP 551 CO -0.16 0.53 -0.36 0.24 -1.72 0.00 0.00 179.24 177.76 3ir5 h MET 552 N 0.59 0.51 -0.40 3.56 2.86 -1.21 0.87 114.93 121.71 3ir5 h MET 552 Ca 0.14 -0.35 0.04 0.00 -2.06 0.00 0.00 59.70 57.47 3ir5 h MET 552 Cb 0.18 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 3ir5 h MET 552 CO -0.01 0.96 0.17 -0.91 1.06 0.00 0.00 176.91 178.19 3ir5 h ASN 553 N 0.13 0.23 -0.01 1.22 2.35 -1.07 -2.12 115.58 116.31 3ir5 h ASN 553 Ca -0.00 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3ir5 h ASN 553 Cb 0.97 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.33 3ir5 h ASN 553 CO 0.08 0.17 -0.00 1.88 -1.65 0.00 0.00 177.43 177.91 3ir5 h TYR 554 N 0.36 0.03 0.00 1.19 -1.99 -0.81 -2.91 116.97 112.85 3ir5 h TYR 554 Ca 0.17 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.90 3ir5 h TYR 554 Cb 0.11 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 38.84 3ir5 h TYR 554 CO -0.12 0.39 -0.01 0.00 -0.00 0.00 0.00 178.16 178.43 3ir5 h ARG 555 N -0.35 0.00 -0.35 4.88 3.08 -0.79 0.42 114.38 121.27 3ir5 h ARG 555 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3ir5 h ARG 555 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3ir5 h ARG 555 CO 0.00 0.01 0.07 0.78 -1.07 0.00 0.00 179.97 179.76 3ir5 h GLY 556 N 0.03 0.61 1.18 0.04 0.00 -1.24 0.22 103.07 103.90 3ir5 h GLY 556 Ca -0.00 -0.39 -0.19 0.00 0.00 0.00 0.00 47.33 46.74 3ir5 h GLY 556 CO 0.00 0.37 -0.61 1.41 0.00 0.00 0.00 176.54 177.71 3ir5 h LEU 557 N 0.41 0.95 -0.22 3.11 4.07 -0.92 -3.00 115.31 119.71 3ir5 h LEU 557 Ca 0.11 -0.54 -0.01 0.00 0.08 0.00 0.00 57.88 57.51 3ir5 h LEU 557 Cb 0.33 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 3ir5 h LEU 557 CO 0.00 1.34 0.08 0.40 -1.08 0.00 0.00 178.44 179.18 3ir5 h ILE 558 N 0.63 1.17 -0.96 1.22 2.04 -0.09 -2.49 117.51 119.03 3ir5 h ILE 558 Ca -0.00 -0.54 0.08 0.00 1.00 0.00 0.00 64.86 65.40 3ir5 h ILE 558 Cb 1.22 1.12 -0.07 0.00 -0.74 0.00 0.00 36.82 38.35 3ir5 h ILE 558 CO 0.13 0.17 0.61 0.78 0.00 0.00 0.00 178.15 179.84 3ir5 h ASN 559 N 0.20 0.95 -0.49 1.72 -0.26 -0.61 -0.01 115.58 117.07 3ir5 h ASN 559 Ca 0.07 0.02 0.02 0.00 -0.56 0.00 0.00 56.30 55.86 3ir5 h ASN 559 Cb 0.20 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.25 3ir5 h ASN 559 CO -0.00 0.58 0.28 0.24 -1.06 0.00 0.00 177.43 177.47 3ir5 h MET 560 N 1.07 0.55 -0.33 0.81 2.86 -1.35 0.05 114.93 118.59 3ir5 h MET 560 Ca 0.43 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.91 3ir5 h MET 560 Cb 0.25 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 3ir5 h MET 560 CO -0.20 0.36 -0.31 -0.07 1.06 0.00 0.00 176.91 177.76 3ir5 h LEU 561 N 0.57 0.73 -0.13 1.22 3.38 -0.86 -2.82 115.31 117.40 3ir5 h LEU 561 Ca 0.20 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3ir5 h LEU 561 Cb 0.03 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3ir5 h LEU 561 CO -0.10 0.99 -0.07 0.40 0.09 0.00 0.00 178.44 179.75 3ir5 h ILE 562 N 0.60 1.33 -0.33 1.22 2.04 -0.78 0.13 117.51 121.72 3ir5 h ILE 562 Ca 0.07 -1.13 0.10 0.00 1.00 0.00 0.00 64.86 64.89 3ir5 h ILE 562 Cb 0.82 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 3ir5 h ILE 562 CO 0.07 0.33 0.34 -0.26 0.00 0.00 0.00 178.15 178.63 3ir5 h PHE 563 N -0.09 0.00 -0.50 1.37 0.05 -0.94 0.24 116.94 117.08 3ir5 h PHE 563 Ca 0.03 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.82 3ir5 h PHE 563 Cb 0.55 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.50 3ir5 h PHE 563 CO 0.07 0.00 0.00 0.00 -0.18 0.00 0.00 178.31 178.20 3ir5 n GLY 565 N 0.67 -0.34 0.08 0.00 0.00 0.86 -4.21 105.19 102.24 3ir5 n GLY 565 Ca 0.21 0.15 -0.03 0.00 0.00 0.00 0.00 46.02 46.35 3ir5 n GLY 565 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ir5 s VAL 567 N -2.83 3.13 0.00 0.00 1.01 -1.26 -2.66 120.40 117.79 3ir5 s VAL 567 Ca -0.06 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.81 3ir5 s VAL 567 Cb 0.08 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.90 3ir5 s VAL 567 CO 0.83 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.65 3ir5 n GLY 568 N 2.75 0.75 3.36 4.51 0.00 -1.18 -4.95 105.19 110.43 3ir5 n GLY 568 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3ir5 n GLY 568 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ir5 s GLN 569 N -0.58 3.13 0.23 1.61 -1.52 -1.09 -4.17 119.66 117.28 3ir5 s GLN 569 Ca 0.00 -0.73 -0.31 0.00 -1.95 0.00 0.00 55.36 52.37 3ir5 s GLN 569 Cb 0.00 -2.51 -0.14 0.00 -0.22 0.00 0.00 33.01 30.14 3ir5 s GLN 569 CO 0.00 0.29 1.34 0.45 -0.25 0.00 0.00 175.29 177.12 3ir5 n SER 570 N 3.28 2.43 0.00 5.90 2.88 -1.26 -0.49 113.62 126.37 3ir5 n SER 570 Ca -0.18 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 3ir5 n SER 570 Cb 0.53 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 3ir5 n SER 570 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ir5 n GLY 571 N 2.01 0.73 3.17 0.46 0.00 -1.25 -4.69 105.19 105.62 3ir5 n GLY 571 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 3ir5 n GLY 571 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ir5 s GLY 572 N -1.93 0.15 0.00 -0.02 0.00 0.36 -3.09 107.32 102.79 3ir5 s GLY 572 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 44.07 3ir5 s GLY 572 CO 0.00 -0.82 0.00 0.61 0.00 0.00 0.00 173.10 172.89 3ir5 n GLY 573 N 0.20 0.33 3.53 0.20 0.00 -0.55 -4.36 105.19 104.54 3ir5 n GLY 573 Ca -0.16 -2.30 -0.43 0.00 0.00 0.00 0.00 46.02 43.13 3ir5 n GLY 573 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3ir5 s TRP 574 N 0.00 3.03 -0.93 1.61 -0.00 -1.26 -2.03 118.94 119.36 3ir5 s TRP 574 Ca 0.00 0.07 -0.04 0.00 -0.00 0.00 0.00 56.10 56.13 3ir5 s TRP 574 Cb 0.00 -3.49 0.23 0.00 -0.00 0.00 0.00 33.47 30.21 3ir5 s TRP 574 CO 0.00 -0.91 0.85 0.00 -0.00 0.00 0.00 176.95 176.88 3ir5 s ALA 575 N 3.04 4.33 -0.28 5.86 0.00 -0.09 -4.52 121.76 130.11 3ir5 s ALA 575 Ca 0.26 -3.78 -0.25 0.00 0.00 0.00 0.00 51.96 48.19 3ir5 s ALA 575 Cb -0.13 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.94 3ir5 s ALA 575 CO 0.21 -2.17 0.86 -1.58 0.00 0.00 0.00 175.76 173.07 3ir5 s HIS 576 N -1.17 3.24 -0.10 0.00 5.04 -1.26 -1.69 115.29 119.35 3ir5 s HIS 576 Ca 0.27 1.02 -0.00 0.00 -1.54 0.00 0.00 55.06 54.81 3ir5 s HIS 576 Cb -0.09 -3.22 0.02 0.00 0.04 0.00 0.00 32.58 29.34 3ir5 s HIS 576 CO -0.10 -0.52 -0.07 0.71 -2.34 0.00 0.00 174.74 172.41 3ir5 s TYR 577 N 3.02 1.34 0.00 3.88 2.02 -1.02 -4.86 117.35 121.73 3ir5 s TYR 577 Ca 0.36 -0.63 0.00 0.00 -0.37 0.00 0.00 57.07 56.43 3ir5 s TYR 577 Cb -0.14 -1.14 0.00 0.00 -0.40 0.00 0.00 41.96 40.27 3ir5 s TYR 577 CO 0.10 -0.46 0.00 1.33 -1.57 0.00 0.00 175.55 174.95 3ir5 n VAL 578 N 4.87 0.00 -2.25 0.71 0.24 -1.26 -4.49 118.33 116.15 3ir5 n VAL 578 Ca -0.13 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 61.90 3ir5 n VAL 578 Cb 0.50 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.91 3ir5 n VAL 578 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3ir5 s GLY 579 N 0.00 1.62 -1.48 7.63 0.00 -1.26 -4.74 107.32 109.09 3ir5 s GLY 579 Ca 0.00 -0.65 -0.12 0.00 0.00 0.00 0.00 44.72 43.95 3ir5 s GLY 579 CO 0.00 -0.33 2.40 -0.18 0.00 0.00 0.00 173.10 174.99 3ir5 n GLN 580 N -2.73 3.29 0.16 2.90 7.27 -1.26 -4.70 117.38 122.30 3ir5 n GLN 580 Ca 0.06 -2.65 0.13 0.00 0.07 0.00 0.00 57.00 54.60 3ir5 n GLN 580 Cb 0.58 -3.07 0.39 0.00 2.41 0.00 0.00 30.24 30.55 3ir5 n GLN 580 CO 0.00 0.00 0.00 1.05 0.07 0.00 0.00 177.06 178.18 3ir5 h GLU 581 N 5.61 0.00 -5.82 3.69 -0.00 -1.95 -3.40 114.58 112.71 3ir5 h GLU 581 Ca 0.64 0.00 -0.62 0.00 -0.00 0.00 0.00 59.36 59.38 3ir5 h GLU 581 Cb 0.52 0.00 -0.12 0.00 -0.00 0.00 0.00 28.75 29.15 3ir5 h GLU 581 CO 1.81 0.00 1.28 0.21 -0.00 0.00 0.00 179.01 182.30 3ir5 s LYS 582 N -3.23 3.56 -0.56 1.06 2.20 -1.26 -4.85 119.74 116.66 3ir5 s LYS 582 Ca 0.08 -1.24 -0.19 0.00 -0.36 0.00 0.00 55.97 54.26 3ir5 s LYS 582 Cb 0.10 -5.15 0.09 0.00 -1.51 0.00 0.00 37.83 31.35 3ir5 s LYS 582 CO 0.57 -2.08 0.67 -1.17 -0.36 0.00 0.00 175.35 172.98 3ir5 s LEU 583 N 4.39 5.24 0.07 5.43 0.20 -1.26 -3.25 118.68 129.50 3ir5 s LEU 583 Ca 0.41 -1.25 -0.25 0.00 0.69 0.00 0.00 54.13 53.74 3ir5 s LEU 583 Cb -0.02 -2.35 -0.16 0.00 -0.43 0.00 0.00 46.19 43.23 3ir5 s LEU 583 CO -0.08 -1.03 1.64 0.03 -0.29 0.00 0.00 176.35 176.62 3ir5 h ARG 584 N 9.11 -0.12 -2.54 1.98 3.08 -1.90 -3.24 114.38 120.75 3ir5 h ARG 584 Ca -0.29 0.01 -0.25 0.00 0.07 0.00 0.00 59.98 59.52 3ir5 h ARG 584 Cb 1.09 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.14 3ir5 h ARG 584 CO 1.05 -0.01 0.83 -0.35 -1.07 0.00 0.00 179.97 180.42 3ir5 n PRO 585 N -5.11 1.91 -0.02 0.04 -0.04 -1.26 -4.72 135.00 125.80 3ir5 n PRO 585 Ca -0.08 -1.07 -0.13 0.00 -0.04 0.00 0.00 63.50 62.18 3ir5 n PRO 585 Cb 0.11 -2.10 -0.09 0.00 -0.04 0.00 0.00 33.50 31.38 3ir5 n PRO 585 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3ir5 h GLN 586 N 4.32 -0.47 0.00 0.54 4.15 -1.95 -2.22 115.11 119.48 3ir5 h GLN 586 Ca 0.30 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.75 3ir5 h GLN 586 Cb 0.87 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.67 3ir5 h GLN 586 CO 0.69 -0.32 0.00 0.25 -1.93 0.00 0.00 178.83 177.52 3ir5 n THR 587 N -5.05 0.12 -0.07 2.39 -2.24 -1.26 -1.05 114.28 107.13 3ir5 n THR 587 Ca -0.05 0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.63 3ir5 n THR 587 Cb 0.33 -0.76 -0.14 0.00 -2.10 0.00 0.00 70.33 67.65 3ir5 n THR 587 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ir5 n GLY 588 N 0.10 -0.81 0.13 3.38 0.00 -0.91 -4.46 105.19 102.60 3ir5 n GLY 588 Ca 0.12 -0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 3ir5 n GLY 588 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3ir5 h TRP 589 N 0.01 0.61 -0.43 1.61 7.01 -0.77 -3.38 115.95 120.61 3ir5 h TRP 589 Ca -0.46 -0.44 0.06 0.00 2.11 0.00 0.00 58.89 60.16 3ir5 h TRP 589 Cb 2.08 -0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 29.07 3ir5 h TRP 589 CO 0.02 1.48 0.12 1.96 -2.79 0.00 0.00 178.44 179.23 3ir5 h GLN 590 N 0.09 0.26 0.00 2.65 4.20 -1.31 0.04 115.11 121.04 3ir5 h GLN 590 Ca -0.26 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.41 3ir5 h GLN 590 Cb 2.06 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 29.78 3ir5 h GLN 590 CO 0.19 0.18 -0.10 -1.00 -0.67 0.00 0.00 178.83 177.42 3ir5 h PRO 591 N 0.27 0.00 0.01 1.46 0.13 -1.78 -1.80 132.00 130.29 3ir5 h PRO 591 Ca 0.20 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.30 3ir5 h PRO 591 Cb 0.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.35 3ir5 h PRO 591 CO -0.23 0.10 -0.15 1.25 -0.23 0.00 0.00 178.00 178.74 3ir5 h LEU 592 N 0.00 0.11 -1.28 1.56 5.85 -1.47 -1.35 115.31 118.73 3ir5 h LEU 592 Ca -0.00 -0.88 -0.07 0.00 0.84 0.00 0.00 57.88 57.78 3ir5 h LEU 592 Cb 0.22 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3ir5 h LEU 592 CO 0.01 0.97 -0.23 0.00 -0.34 0.00 0.00 178.44 178.85 3ir5 h ALA 593 N 0.14 1.40 -0.22 1.25 0.00 -0.86 -3.22 119.26 117.75 3ir5 h ALA 593 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3ir5 h ALA 593 Cb 1.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3ir5 h ALA 593 CO 0.03 0.42 0.00 1.19 0.00 0.00 0.00 179.25 180.89 3ir5 n PHE 594 N -4.19 0.36 -3.30 0.00 3.01 -0.69 -1.51 117.46 111.14 3ir5 n PHE 594 Ca -0.01 -0.57 -0.23 0.00 1.01 0.00 0.00 57.45 57.64 3ir5 n PHE 594 Cb 0.34 -0.07 0.05 0.00 -0.01 0.00 0.00 39.48 39.79 3ir5 n PHE 594 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ir5 n ALA 595 N -0.02 -1.13 1.22 4.37 0.00 -0.89 -4.73 120.51 119.34 3ir5 n ALA 595 Ca 0.10 0.34 0.11 0.00 0.00 0.00 0.00 53.44 53.98 3ir5 n ALA 595 Cb 0.44 -4.61 0.61 0.00 0.00 0.00 0.00 19.45 15.89 3ir5 n ALA 595 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ir5 n LEU 596 N -4.47 0.00 0.11 0.00 4.77 -0.56 -1.03 117.00 115.82 3ir5 n LEU 596 Ca -0.06 0.14 0.12 0.00 -0.03 0.00 0.00 56.01 56.19 3ir5 n LEU 596 Cb 0.59 -0.14 0.24 0.00 -2.33 0.00 0.00 43.42 41.78 3ir5 n LEU 596 CO 0.56 -0.04 0.61 -2.24 -1.33 0.00 0.00 177.39 174.94 3ir5 h ASP 597 N 0.00 0.00 0.00 -1.43 -0.00 -1.89 -3.39 116.42 109.71 3ir5 h ASP 597 Ca 0.00 -0.07 -0.07 0.00 -0.00 0.00 0.00 57.03 56.89 3ir5 h ASP 597 Cb 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.42 3ir5 h ASP 597 CO 0.00 0.03 -1.24 0.79 -0.00 0.00 0.00 179.24 178.82 3ir5 n TRP 598 N -2.43 0.00 -4.03 4.15 7.02 -0.64 -1.17 117.44 120.34 3ir5 n TRP 598 Ca 0.04 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.40 3ir5 n TRP 598 Cb 0.47 -0.16 -0.12 0.00 -2.42 0.00 0.00 31.31 29.08 3ir5 n TRP 598 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 3ir5 s GLN 599 N -2.08 0.40 -0.08 -0.99 -0.21 -0.20 -4.81 119.66 111.69 3ir5 s GLN 599 Ca -0.06 -0.59 -0.04 0.00 0.02 0.00 0.00 55.36 54.69 3ir5 s GLN 599 Cb 0.02 -0.14 0.04 0.00 1.00 0.00 0.00 33.01 33.92 3ir5 s GLN 599 CO 0.08 0.02 0.19 1.03 -2.12 0.00 0.00 175.29 174.49 3ir5 s ARG 600 N -1.27 0.16 0.53 2.91 0.52 -1.26 -3.91 118.95 116.62 3ir5 s ARG 600 Ca -0.10 0.40 0.02 0.00 -0.52 0.00 0.00 55.73 55.53 3ir5 s ARG 600 Cb -0.08 -0.10 0.10 0.00 0.52 0.00 0.00 34.95 35.39 3ir5 s ARG 600 CO -0.00 -0.13 0.73 -0.35 0.02 0.00 0.00 175.30 175.56 3ir5 n PRO 601 N 3.94 0.23 -2.48 3.54 -0.04 -1.26 -4.84 135.00 134.09 3ir5 n PRO 601 Ca -0.23 -2.17 -0.15 0.00 -0.04 0.00 0.00 63.50 60.91 3ir5 n PRO 601 Cb 0.54 -0.42 0.06 0.00 -0.04 0.00 0.00 33.50 33.63 3ir5 n PRO 601 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ir5 n ALA 602 N -2.81 0.88 -3.63 0.55 0.00 -1.26 -5.04 120.51 109.19 3ir5 n ALA 602 Ca -0.12 -1.61 -0.35 0.00 0.00 0.00 0.00 53.44 51.36 3ir5 n ALA 602 Cb 0.45 0.42 -0.07 0.00 0.00 0.00 0.00 19.45 20.26 3ir5 n ALA 602 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ir5 n ARG 603 N -2.02 2.63 -2.46 0.00 1.74 -1.26 -5.00 116.66 110.29 3ir5 n ARG 603 Ca 0.13 -4.49 -0.32 0.00 -0.77 0.00 0.00 57.85 52.39 3ir5 n ARG 603 Cb 0.46 -2.40 -0.04 0.00 -1.02 0.00 0.00 32.46 29.46 3ir5 n ARG 603 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3ir5 s HIS 604 N -1.48 3.42 -0.11 -1.55 3.76 -1.26 -1.19 115.29 116.89 3ir5 s HIS 604 Ca 0.28 1.49 -0.12 0.00 -0.15 0.00 0.00 55.06 56.56 3ir5 s HIS 604 Cb -0.06 -2.81 0.03 0.00 1.11 0.00 0.00 32.58 30.86 3ir5 s HIS 604 CO -0.12 -0.34 0.33 1.41 -0.85 0.00 0.00 174.74 175.17 3ir5 s MET 605 N -3.92 0.42 -0.43 1.40 0.00 -0.73 -4.66 119.30 111.38 3ir5 s MET 605 Ca 0.59 0.37 -0.24 0.00 0.00 0.00 0.00 55.69 56.41 3ir5 s MET 605 Cb -0.10 0.20 0.02 0.00 0.00 0.00 0.00 34.83 34.96 3ir5 s MET 605 CO 0.28 -0.06 0.86 0.54 0.00 0.00 0.00 175.02 176.64 3ir5 s ASN 606 N -0.02 6.50 0.56 1.11 4.22 -1.26 -0.39 114.94 125.66 3ir5 s ASN 606 Ca -0.02 0.15 0.26 0.00 -2.14 0.00 0.00 52.86 51.11 3ir5 s ASN 606 Cb -0.03 -2.42 1.50 0.00 1.28 0.00 0.00 41.25 41.58 3ir5 s ASN 606 CO 0.01 -0.93 2.05 0.28 -2.04 0.00 0.00 177.10 176.47 3ir5 h SER 607 N 8.87 0.00 -0.29 3.54 0.02 -1.91 -2.77 113.55 121.01 3ir5 h SER 607 Ca -0.24 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 3ir5 h SER 607 Cb 1.08 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 3ir5 h SER 607 CO 0.98 0.00 0.05 0.74 -1.14 0.00 0.00 176.83 177.46 3ir5 h THR 608 N 0.00 1.23 -0.25 -2.27 2.02 -1.91 -0.81 112.91 110.92 3ir5 h THR 608 Ca 0.14 -0.78 -0.13 0.00 0.77 0.00 0.00 66.41 66.41 3ir5 h THR 608 Cb 0.66 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 3ir5 h THR 608 CO -0.00 0.26 -0.37 0.28 0.37 0.00 0.00 175.52 176.05 3ir5 h SER 609 N 0.31 0.58 -0.25 4.18 0.02 -1.82 -1.33 113.55 115.24 3ir5 h SER 609 Ca 0.09 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3ir5 h SER 609 Cb 0.33 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3ir5 h SER 609 CO 0.00 0.90 0.14 0.22 -1.14 0.00 0.00 176.83 176.96 3ir5 h TYR 610 N 0.47 0.34 0.00 3.45 3.20 -1.25 -1.77 116.97 121.40 3ir5 h TYR 610 Ca 0.05 -0.01 -0.22 0.00 3.14 0.00 0.00 58.73 61.70 3ir5 h TYR 610 Cb 0.86 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 3ir5 h TYR 610 CO 0.03 0.28 -1.09 0.74 -1.64 0.00 0.00 178.16 176.48 3ir5 h PHE 611 N 0.30 0.00 -0.96 -3.82 -1.00 -1.14 -1.14 116.94 109.17 3ir5 h PHE 611 Ca 0.09 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.87 3ir5 h PHE 611 Cb 0.05 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.56 3ir5 h PHE 611 CO -0.04 0.96 0.59 -0.92 -1.61 0.00 0.00 178.31 177.29 3ir5 h TYR 612 N 0.00 1.26 0.21 -0.55 -0.00 -1.19 -1.31 116.97 115.38 3ir5 h TYR 612 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.67 3ir5 h TYR 612 Cb 1.78 -0.42 0.00 0.00 -0.00 0.00 0.00 36.73 38.10 3ir5 h TYR 612 CO 0.00 0.83 -0.10 -0.97 -0.00 0.00 0.00 178.16 177.92 3ir5 h ASN 613 N 1.32 -0.24 1.00 -2.11 -1.24 -1.30 -1.49 115.58 111.52 3ir5 h ASN 613 Ca 0.35 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.29 3ir5 h ASN 613 Cb -0.07 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 3ir5 h ASN 613 CO -0.07 0.23 -0.33 0.45 -1.29 0.00 0.00 177.43 176.42 3ir5 h HIS 614 N -1.07 0.00 -0.50 0.67 3.86 -1.25 -2.48 115.15 114.37 3ir5 h HIS 614 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3ir5 h HIS 614 Cb 0.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 3ir5 h HIS 614 CO 0.00 0.33 0.00 -1.13 0.86 0.00 0.00 177.93 178.00 3ir5 n SER 615 N -3.42 3.18 -3.63 2.45 3.41 -0.50 -4.55 113.62 110.56 3ir5 n SER 615 Ca 0.00 -2.16 -0.27 0.00 -0.26 0.00 0.00 58.87 56.18 3ir5 n SER 615 Cb 0.52 -0.42 -0.00 0.00 -0.26 0.00 0.00 64.21 64.04 3ir5 n SER 615 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3ir5 n SER 616 N 0.90 -3.85 0.10 4.04 7.64 -0.94 -4.59 113.62 116.92 3ir5 n SER 616 Ca 0.18 -0.58 0.12 0.00 1.01 0.00 0.00 58.87 59.59 3ir5 n SER 616 Cb 0.56 -3.15 0.45 0.00 -1.01 0.00 0.00 64.21 61.06 3ir5 n SER 616 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ir5 n GLN 617 N -4.02 0.17 0.15 1.43 6.02 -0.57 -2.53 117.38 118.02 3ir5 n GLN 617 Ca 0.01 0.33 0.01 0.00 -0.01 0.00 0.00 57.00 57.35 3ir5 n GLN 617 Cb 0.53 -1.78 0.21 0.00 1.02 0.00 0.00 30.24 30.22 3ir5 n GLN 617 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.06 176.16 3ir5 h TRP 618 N 0.00 0.00 0.00 1.08 5.08 -1.86 -2.92 115.95 117.33 3ir5 h TRP 618 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3ir5 h TRP 618 Cb 0.43 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.59 3ir5 h TRP 618 CO 0.00 0.54 0.00 0.54 -1.28 0.00 0.00 178.44 178.24 3ir5 n ARG 619 N -3.67 0.39 -0.04 0.12 1.74 -1.05 -2.09 116.66 112.07 3ir5 n ARG 619 Ca -0.01 0.03 0.01 0.00 -0.77 0.00 0.00 57.85 57.11 3ir5 n ARG 619 Cb 0.59 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.55 3ir5 n ARG 619 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3ir5 n TYR 620 N -1.05 0.00 -1.71 -1.55 4.02 -1.10 -1.26 117.16 114.51 3ir5 n TYR 620 Ca 0.10 -0.35 -0.41 0.00 -0.01 0.00 0.00 57.90 57.23 3ir5 n TYR 620 Cb 0.06 -0.04 0.01 0.00 -0.02 0.00 0.00 39.34 39.35 3ir5 n TYR 620 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 3ir5 n GLU 621 N -0.39 2.02 -0.00 -0.72 4.07 -0.89 -4.92 120.64 119.82 3ir5 n GLU 621 Ca 0.01 0.72 0.00 0.00 -0.06 0.00 0.00 57.16 57.83 3ir5 n GLU 621 Cb 0.40 -2.41 -0.00 0.00 -0.06 0.00 0.00 31.44 29.36 3ir5 n GLU 621 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3ir5 n THR 622 N -0.10 0.00 -3.28 6.31 -2.24 -1.26 -4.94 114.28 108.76 3ir5 n THR 622 Ca 0.06 -0.01 -0.38 0.00 -2.27 0.00 0.00 64.05 61.44 3ir5 n THR 622 Cb 0.39 0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.93 3ir5 n THR 622 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ir5 s VAL 623 N -2.03 5.10 0.23 2.28 1.01 -1.26 -4.99 120.40 120.75 3ir5 s VAL 623 Ca -0.00 1.05 0.08 0.00 0.00 0.00 0.00 61.98 63.11 3ir5 s VAL 623 Cb 0.00 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3ir5 s VAL 623 CO 0.02 0.36 0.05 0.42 0.00 0.00 0.00 175.10 175.95 3ir5 s THR 624 N 0.33 3.80 0.09 3.92 -4.23 -1.26 -4.75 115.64 113.53 3ir5 s THR 624 Ca 0.28 -1.63 -0.16 0.00 -1.18 0.00 0.00 61.69 59.00 3ir5 s THR 624 Cb -0.16 -3.00 -0.11 0.00 1.34 0.00 0.00 72.50 70.57 3ir5 s THR 624 CO 0.13 -0.29 1.38 0.00 -0.54 0.00 0.00 174.62 175.30 3ir5 h ALA 625 N 2.02 0.37 -0.67 3.99 0.00 -1.91 -3.16 119.26 119.89 3ir5 h ALA 625 Ca -0.46 -0.41 0.12 0.00 0.00 0.00 0.00 54.91 54.16 3ir5 h ALA 625 Cb 1.23 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 3ir5 h ALA 625 CO 0.60 0.40 0.45 1.05 0.00 0.00 0.00 179.25 181.75 3ir5 h GLU 626 N 0.35 0.41 -0.07 0.00 -0.00 -1.90 0.21 114.58 113.59 3ir5 h GLU 626 Ca 0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.37 3ir5 h GLU 626 Cb 0.88 -0.09 0.00 0.00 -0.00 0.00 0.00 28.75 29.54 3ir5 h GLU 626 CO 0.07 0.27 0.00 -0.85 -0.00 0.00 0.00 179.01 178.50 3ir5 n GLU 627 N -4.47 0.94 0.00 1.06 0.28 -1.19 -2.71 120.64 114.54 3ir5 n GLU 627 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.12 3ir5 n GLU 627 Cb 0.44 -1.03 0.00 0.00 1.43 0.00 0.00 31.44 32.28 3ir5 n GLU 627 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3ir5 n LEU 628 N -0.46 0.00 -4.72 -1.84 4.77 0.72 -5.02 117.00 110.44 3ir5 n LEU 628 Ca 0.00 -0.38 -0.32 0.00 -0.03 0.00 0.00 56.01 55.29 3ir5 n LEU 628 Cb 0.02 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.23 3ir5 n LEU 628 CO 0.00 0.00 0.71 -0.76 -1.33 0.00 0.00 177.39 176.01 3ir5 s LEU 629 N -1.78 3.02 0.49 2.23 1.02 -1.06 -4.62 118.68 117.99 3ir5 s LEU 629 Ca 0.00 2.07 -0.21 0.00 0.02 0.00 0.00 54.13 56.01 3ir5 s LEU 629 Cb 0.00 -4.55 -0.07 0.00 0.02 0.00 0.00 46.19 41.59 3ir5 s LEU 629 CO 0.00 -2.50 1.11 -0.55 0.02 0.00 0.00 176.35 174.44 3ir5 s SER 630 N -2.83 6.09 0.26 2.29 0.15 0.32 -4.79 113.70 115.20 3ir5 s SER 630 Ca 0.66 2.15 0.22 0.00 0.70 0.00 0.00 55.95 59.68 3ir5 s SER 630 Cb -0.22 -2.58 0.99 0.00 -1.71 0.00 0.00 66.02 62.50 3ir5 s SER 630 CO 0.54 -0.96 1.67 -0.81 1.20 0.00 0.00 173.24 174.88 3ir5 n PRO 631 N -0.86 0.17 -0.47 5.44 -0.04 -1.26 -2.24 135.00 135.74 3ir5 n PRO 631 Ca 0.09 0.47 0.06 0.00 -0.04 0.00 0.00 63.50 64.09 3ir5 n PRO 631 Cb 0.50 -1.87 0.26 0.00 -0.04 0.00 0.00 33.50 32.35 3ir5 n PRO 631 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3ir5 n MET 632 N -2.20 3.06 -4.15 0.54 2.81 -1.26 -4.94 117.12 110.97 3ir5 n MET 632 Ca 0.01 -2.05 -0.27 0.00 -1.81 0.00 0.00 57.70 53.58 3ir5 n MET 632 Cb 0.17 -1.76 -0.07 0.00 -0.71 0.00 0.00 33.22 30.85 3ir5 n MET 632 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3ir5 s ALA 633 N -1.82 3.33 -0.94 3.04 0.00 -0.95 -5.03 121.76 119.38 3ir5 s ALA 633 Ca 0.37 -1.27 -0.24 0.00 0.00 0.00 0.00 51.96 50.81 3ir5 s ALA 633 Cb 0.24 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 3ir5 s ALA 633 CO 0.17 0.53 1.78 0.34 0.00 0.00 0.00 175.76 178.57 3ir5 s ASP 634 N -2.86 5.61 0.64 0.00 3.68 -1.26 -4.82 116.67 117.66 3ir5 s ASP 634 Ca 0.28 -0.93 0.20 0.00 2.13 0.00 0.00 52.55 54.22 3ir5 s ASP 634 Cb -0.10 -2.56 0.96 0.00 -1.45 0.00 0.00 42.92 39.77 3ir5 s ASP 634 CO 0.20 -2.32 1.52 0.11 0.13 0.00 0.00 175.17 174.81 3ir5 h LYS 635 N 10.80 0.00 0.00 4.34 1.57 -1.95 0.64 116.57 131.97 3ir5 h LYS 635 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3ir5 h LYS 635 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 3ir5 h LYS 635 CO 1.28 0.00 -0.25 0.66 -0.57 0.00 0.00 179.45 180.58 3ir5 h SER 636 N 0.00 0.00 0.54 0.86 4.64 -2.02 -3.05 113.55 114.52 3ir5 h SER 636 Ca 0.12 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3ir5 h SER 636 Cb 1.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 3ir5 h SER 636 CO -0.00 0.03 -0.04 0.54 -0.87 0.00 0.00 176.83 176.50 3ir5 n ARG 637 N -2.34 0.46 -2.76 4.77 1.74 0.22 -4.11 116.66 114.64 3ir5 n ARG 637 Ca 0.04 -0.05 -0.18 0.00 -0.77 0.00 0.00 57.85 56.89 3ir5 n ARG 637 Cb 0.45 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 3ir5 n ARG 637 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3ir5 n TYR 638 N -1.22 1.91 -3.21 -1.55 4.02 -1.15 -5.09 117.16 110.87 3ir5 n TYR 638 Ca 0.14 -3.26 -0.25 0.00 -0.01 0.00 0.00 57.90 54.52 3ir5 n TYR 638 Cb 0.26 -0.33 -0.01 0.00 -0.02 0.00 0.00 39.34 39.24 3ir5 n TYR 638 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3ir5 s THR 639 N -3.77 5.05 0.00 -0.72 -4.23 -1.26 -4.57 115.64 106.14 3ir5 s THR 639 Ca 0.38 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 3ir5 s THR 639 Cb 0.40 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 70.39 3ir5 s THR 639 CO -0.07 -0.59 0.00 0.61 -0.54 0.00 0.00 174.62 174.03 3ir5 n GLY 640 N -1.78 3.13 3.79 3.99 0.00 -1.26 -4.95 105.19 108.11 3ir5 n GLY 640 Ca -0.03 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.64 3ir5 n GLY 640 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ir5 s HIS 641 N -2.66 3.14 0.48 1.61 5.65 -1.26 -4.57 115.29 117.68 3ir5 s HIS 641 Ca 0.00 1.61 0.27 0.00 0.25 0.00 0.00 55.06 57.20 3ir5 s HIS 641 Cb 0.00 -3.12 1.34 0.00 -1.18 0.00 0.00 32.58 29.62 3ir5 s HIS 641 CO 0.00 -0.75 1.81 -0.07 -0.65 0.00 0.00 174.74 175.08 3ir5 h LEU 642 N 2.11 0.20 -1.16 8.88 3.38 -1.97 0.92 115.31 127.67 3ir5 h LEU 642 Ca -0.49 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 3ir5 h LEU 642 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3ir5 h LEU 642 CO 0.61 0.04 -0.34 -0.29 0.09 0.00 0.00 178.44 178.55 3ir5 h ILE 643 N 0.18 0.92 -0.88 1.22 2.10 -1.96 -2.59 117.51 116.50 3ir5 h ILE 643 Ca 0.54 -1.33 -0.01 0.00 1.08 0.00 0.00 64.86 65.15 3ir5 h ILE 643 Cb 1.80 1.79 -0.04 0.00 -1.09 0.00 0.00 36.82 39.27 3ir5 h ILE 643 CO -0.13 0.33 0.51 0.44 -1.08 0.00 0.00 178.15 178.23 3ir5 h ASP 644 N 0.00 1.07 -0.18 2.19 3.45 0.54 -0.54 116.42 122.95 3ir5 h ASP 644 Ca -0.00 -0.08 -0.06 0.00 0.43 0.00 0.00 57.03 57.32 3ir5 h ASP 644 Cb 0.76 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 39.24 3ir5 h ASP 644 CO 0.04 0.84 -0.05 -0.26 -1.57 0.00 0.00 179.24 178.24 3ir5 h PHE 645 N 1.22 0.52 -0.14 4.55 -1.00 -1.35 -1.81 116.94 118.93 3ir5 h PHE 645 Ca 0.31 -0.06 -0.04 0.00 2.81 0.00 0.00 57.97 61.00 3ir5 h PHE 645 Cb -0.02 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 39.39 3ir5 h PHE 645 CO 0.00 0.55 -0.05 -0.97 -1.61 0.00 0.00 178.31 176.23 3ir5 h ASN 646 N 0.47 0.29 -0.87 2.17 -1.24 -1.17 -0.46 115.58 114.77 3ir5 h ASN 646 Ca 0.10 -0.40 0.06 0.00 0.71 0.00 0.00 56.30 56.77 3ir5 h ASN 646 Cb 0.39 -0.08 -0.06 0.00 0.73 0.00 0.00 38.32 39.29 3ir5 h ASN 646 CO 0.02 0.62 0.54 0.58 -1.29 0.00 0.00 177.43 177.90 3ir5 h VAL 647 N -0.05 1.05 -0.49 2.57 2.07 -0.91 0.91 116.25 121.41 3ir5 h VAL 647 Ca 0.03 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 3ir5 h VAL 647 Cb 0.51 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 3ir5 h VAL 647 CO 0.02 0.18 -0.13 0.03 0.02 0.00 0.00 177.57 177.69 3ir5 h ARG 648 N 0.99 0.93 -0.55 1.57 3.08 -1.24 -2.28 114.38 116.88 3ir5 h ARG 648 Ca 0.38 -0.34 0.02 0.00 0.07 0.00 0.00 59.98 60.11 3ir5 h ARG 648 Cb 0.16 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 3ir5 h ARG 648 CO -0.17 1.00 0.33 0.00 -1.07 0.00 0.00 179.97 180.06 3ir5 h ALA 649 N 1.02 0.71 0.06 0.04 0.00 0.19 -1.82 119.26 119.46 3ir5 h ALA 649 Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ir5 h ALA 649 Cb 0.67 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3ir5 h ALA 649 CO 0.05 0.05 -0.03 0.93 0.00 0.00 0.00 179.25 180.25 3ir5 h GLU 650 N 0.66 -0.09 0.00 0.00 5.08 -0.52 -0.66 114.58 119.05 3ir5 h GLU 650 Ca 0.22 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3ir5 h GLU 650 Cb 0.02 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3ir5 h GLU 650 CO -0.09 -0.06 0.00 0.07 -1.00 0.00 0.00 179.01 177.93 3ir5 h ARG 651 N -0.09 0.00 -0.15 2.33 0.11 -1.26 -2.05 114.38 113.27 3ir5 h ARG 651 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3ir5 h ARG 651 Cb 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 3ir5 h ARG 651 CO 0.01 0.00 0.00 -1.33 0.10 0.00 0.00 179.97 178.75 3ir5 n MET 652 N -2.90 1.71 -1.49 0.08 2.81 -0.70 -4.23 117.12 112.39 3ir5 n MET 652 Ca 0.01 -1.06 -0.06 0.00 -1.81 0.00 0.00 57.70 54.78 3ir5 n MET 652 Cb 0.29 -1.40 -0.02 0.00 -0.71 0.00 0.00 33.22 31.37 3ir5 n MET 652 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ir5 n GLY 653 N 1.13 0.60 0.14 3.03 0.00 -0.77 -2.80 105.19 106.51 3ir5 n GLY 653 Ca 0.16 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 45.24 3ir5 n GLY 653 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3ir5 h TRP 654 N 0.00 0.51 -3.35 1.61 6.55 -1.31 0.60 115.95 120.56 3ir5 h TRP 654 Ca -0.13 -0.37 -0.44 0.00 0.95 0.00 0.00 58.89 58.90 3ir5 h TRP 654 Cb 0.63 -0.02 -0.17 0.00 -0.86 0.00 0.00 29.16 28.74 3ir5 h TRP 654 CO 0.16 1.69 -0.75 -0.51 -1.05 0.00 0.00 178.44 177.98 3ir5 s LEU 655 N -7.04 2.46 0.80 -4.49 1.43 -1.19 -4.08 118.68 106.56 3ir5 s LEU 655 Ca -0.19 -0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 51.91 3ir5 s LEU 655 Cb 0.06 -0.62 0.07 0.00 0.03 0.00 0.00 46.19 45.73 3ir5 s LEU 655 CO 0.80 -0.14 1.11 -2.16 0.23 0.00 0.00 176.35 176.19 3ir5 s PRO 656 N -3.01 2.10 0.09 1.29 0.04 -1.26 -4.36 135.00 129.89 3ir5 s PRO 656 Ca 0.14 0.47 0.06 0.00 0.04 0.00 0.00 61.00 61.71 3ir5 s PRO 656 Cb -0.03 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 3ir5 s PRO 656 CO 0.04 -1.57 -0.17 -1.12 0.04 0.00 0.00 177.00 174.22 3ir5 s SER 657 N -4.12 2.07 -0.30 6.66 0.01 -1.26 -4.78 113.70 111.97 3ir5 s SER 657 Ca 0.61 -0.68 -0.09 0.00 1.31 0.00 0.00 55.95 57.10 3ir5 s SER 657 Cb -0.13 -0.09 0.18 0.00 0.21 0.00 0.00 66.02 66.19 3ir5 s SER 657 CO 0.53 -0.04 0.88 0.00 0.41 0.00 0.00 173.24 175.02 3ir5 s ALA 658 N -1.38 -2.95 1.04 1.44 0.00 -1.26 -4.17 121.76 114.47 3ir5 s ALA 658 Ca 0.03 1.63 -0.11 0.00 0.00 0.00 0.00 51.96 53.51 3ir5 s ALA 658 Cb -0.09 -2.35 0.22 0.00 0.00 0.00 0.00 23.12 20.90 3ir5 s ALA 658 CO 0.03 -1.38 1.08 -2.14 0.00 0.00 0.00 175.76 173.36 3ir5 s PRO 659 N 2.89 0.03 -0.10 0.00 0.02 -1.26 -4.89 135.00 131.69 3ir5 s PRO 659 Ca 0.07 1.16 -0.06 0.00 0.02 0.00 0.00 61.00 62.19 3ir5 s PRO 659 Cb -0.12 -1.64 -0.02 0.00 0.02 0.00 0.00 34.50 32.74 3ir5 s PRO 659 CO -0.15 -3.18 -0.11 1.96 -0.33 0.00 0.00 177.00 175.18 3ir5 h GLN 660 N -2.25 0.00 -6.21 5.54 4.20 -1.87 -3.41 115.11 111.11 3ir5 h GLN 660 Ca -0.53 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 57.65 3ir5 h GLN 660 Cb 1.30 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.01 3ir5 h GLN 660 CO 0.46 0.00 -0.58 -0.51 -0.67 0.00 0.00 178.83 177.54 3ir5 s LEU 661 N -7.43 3.58 0.00 1.46 1.43 -1.26 -0.03 118.68 116.42 3ir5 s LEU 661 Ca -0.09 -0.38 0.15 0.00 -1.03 0.00 0.00 54.13 52.78 3ir5 s LEU 661 Cb 0.01 -2.12 0.89 0.00 0.03 0.00 0.00 46.19 45.00 3ir5 s LEU 661 CO 0.14 -0.01 1.50 0.61 0.23 0.00 0.00 176.35 178.82 3ir5 n GLY 662 N -0.94 -0.90 3.09 -3.19 0.00 -0.02 -4.36 105.19 98.87 3ir5 n GLY 662 Ca -0.08 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 3ir5 n GLY 662 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ir5 s THR 663 N -2.00 0.86 -0.30 2.61 -1.32 -1.26 -4.94 115.64 109.28 3ir5 s THR 663 Ca 0.22 -0.91 -0.35 0.00 -1.21 0.00 0.00 61.69 59.44 3ir5 s THR 663 Cb 0.10 -0.81 -0.12 0.00 -1.51 0.00 0.00 72.50 70.17 3ir5 s THR 663 CO 0.17 -0.08 2.10 -3.20 -2.21 0.00 0.00 174.62 171.40 3ir5 n ASN 664 N 1.93 2.38 0.00 8.08 2.85 -1.24 -4.81 115.26 124.45 3ir5 n ASN 664 Ca -0.18 0.54 0.01 0.00 -0.11 0.00 0.00 54.58 54.84 3ir5 n ASN 664 Cb 0.55 -1.28 0.07 0.00 1.24 0.00 0.00 39.78 40.36 3ir5 n ASN 664 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3ir5 n PRO 665 N 7.73 0.03 0.04 1.20 -0.04 -1.26 -1.23 135.00 141.47 3ir5 n PRO 665 Ca 0.37 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 64.27 3ir5 n PRO 665 Cb 0.24 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.44 3ir5 n PRO 665 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ir5 n LEU 666 N -1.35 0.59 -0.49 1.53 4.77 -1.26 -2.07 117.00 118.72 3ir5 n LEU 666 Ca 0.01 0.21 0.10 0.00 -0.03 0.00 0.00 56.01 56.30 3ir5 n LEU 666 Cb 0.03 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3ir5 n LEU 666 CO 0.02 -0.01 0.32 0.35 -1.33 0.00 0.00 177.39 176.74 3ir5 n THR 667 N -1.90 0.00 -0.19 -5.08 -2.24 -0.36 -4.50 114.28 100.01 3ir5 n THR 667 Ca 0.04 -0.30 -0.09 0.00 -2.27 0.00 0.00 64.05 61.43 3ir5 n THR 667 Cb 0.40 1.26 0.01 0.00 -2.10 0.00 0.00 70.33 69.90 3ir5 n THR 667 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3ir5 h ILE 668 N 2.41 1.24 -0.68 2.28 2.04 -1.68 -3.05 117.51 120.07 3ir5 h ILE 668 Ca 0.00 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 3ir5 h ILE 668 Cb 0.71 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3ir5 h ILE 668 CO 0.00 0.32 0.31 0.00 0.00 0.00 0.00 178.15 178.78 3ir5 h ALA 669 N 1.00 0.88 0.00 1.87 0.00 -1.83 -0.85 119.26 120.33 3ir5 h ALA 669 Ca 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ir5 h ALA 669 Cb 0.34 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ir5 h ALA 669 CO 0.00 0.47 0.00 0.78 0.00 0.00 0.00 179.25 180.50 3ir5 h GLY 670 N 0.96 0.00 0.71 0.00 0.00 -1.81 -1.56 103.07 101.37 3ir5 h GLY 670 Ca 0.23 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.37 3ir5 h GLY 670 CO -0.03 0.00 -1.65 1.18 0.00 0.00 0.00 176.54 176.04 3ir5 n GLU 671 N -2.87 0.64 0.22 4.80 1.02 -0.63 -3.60 120.64 120.22 3ir5 n GLU 671 Ca -0.01 0.14 0.12 0.00 -0.02 0.00 0.00 57.16 57.39 3ir5 n GLU 671 Cb 0.17 -1.73 0.33 0.00 -0.02 0.00 0.00 31.44 30.19 3ir5 n GLU 671 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ir5 h ALA 672 N 1.40 0.95 0.01 0.62 0.00 -0.31 -2.72 119.26 119.21 3ir5 h ALA 672 Ca -0.22 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.36 3ir5 h ALA 672 Cb 1.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3ir5 h ALA 672 CO 0.04 0.15 -0.95 1.49 0.00 0.00 0.00 179.25 179.97 3ir5 h GLU 673 N 0.00 0.37 0.00 0.00 4.57 -1.42 0.34 114.58 118.44 3ir5 h GLU 673 Ca -0.00 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 3ir5 h GLU 673 Cb 0.89 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 3ir5 h GLU 673 CO 0.02 1.09 -0.16 1.63 -1.18 0.00 0.00 179.01 180.40 3ir5 n LYS 674 N -3.72 0.04 0.00 1.92 5.02 -1.17 -3.27 118.16 116.97 3ir5 n LYS 674 Ca -0.06 0.02 0.10 0.00 -2.02 0.00 0.00 58.31 56.35 3ir5 n LYS 674 Cb 0.84 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 34.29 3ir5 n LYS 674 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ir5 n ALA 675 N -1.54 3.79 -1.07 7.82 0.00 -1.04 -4.97 120.51 123.51 3ir5 n ALA 675 Ca 0.06 -0.62 -0.02 0.00 0.00 0.00 0.00 53.44 52.86 3ir5 n ALA 675 Cb 0.35 -0.75 -0.01 0.00 0.00 0.00 0.00 19.45 19.04 3ir5 n ALA 675 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ir5 n GLY 676 N 1.41 0.58 3.47 0.00 0.00 -0.96 -5.03 105.19 104.65 3ir5 n GLY 676 Ca 0.08 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 3ir5 n GLY 676 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ir5 s MET 677 N -1.68 1.68 0.74 1.61 -1.94 0.07 -5.04 119.30 114.74 3ir5 s MET 677 Ca 0.00 -1.38 -0.11 0.00 -1.71 0.00 0.00 55.69 52.49 3ir5 s MET 677 Cb 0.00 -1.97 0.03 0.00 2.01 0.00 0.00 34.83 34.90 3ir5 s MET 677 CO 0.00 0.43 1.08 0.54 -0.01 0.00 0.00 175.02 177.05 3ir5 s ASN 678 N -2.54 4.93 0.19 3.03 2.20 -1.26 -4.02 114.94 117.48 3ir5 s ASN 678 Ca 0.20 1.68 -0.13 0.00 -0.94 0.00 0.00 52.86 53.67 3ir5 s ASN 678 Cb -0.09 -2.47 0.20 0.00 -2.00 0.00 0.00 41.25 36.89 3ir5 s ASN 678 CO 0.11 -1.74 1.67 1.55 -2.94 0.00 0.00 177.10 175.75 3ir5 h PRO 679 N -0.92 0.09 0.07 3.55 0.13 -1.90 -2.27 132.00 130.74 3ir5 h PRO 679 Ca -0.44 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3ir5 h PRO 679 Cb 1.22 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3ir5 h PRO 679 CO 0.55 0.06 -0.03 0.28 -0.23 0.00 0.00 178.00 178.62 3ir5 h VAL 680 N 0.09 0.97 -0.80 1.56 2.07 -1.92 -2.52 116.25 115.71 3ir5 h VAL 680 Ca 0.26 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 3ir5 h VAL 680 Cb 0.40 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 3ir5 h VAL 680 CO -0.46 0.03 0.42 0.44 0.02 0.00 0.00 177.57 178.03 3ir5 h ASP 681 N -0.15 1.01 -0.16 0.57 3.32 -1.92 -2.23 116.42 116.85 3ir5 h ASP 681 Ca -0.01 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 3ir5 h ASP 681 Cb 0.12 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3ir5 h ASP 681 CO 0.02 0.83 0.06 0.22 -1.72 0.00 0.00 179.24 178.64 3ir5 h TYR 682 N 1.11 0.32 0.04 4.55 3.20 -1.32 -0.96 116.97 123.91 3ir5 h TYR 682 Ca 0.28 -0.01 -0.25 0.00 3.14 0.00 0.00 58.73 61.89 3ir5 h TYR 682 Cb 0.06 -0.10 0.01 0.00 1.54 0.00 0.00 36.73 38.24 3ir5 h TYR 682 CO 0.01 0.29 -1.05 1.15 -1.64 0.00 0.00 178.16 176.91 3ir5 h THR 683 N 0.32 1.37 -0.43 1.81 2.02 -1.06 -2.01 112.91 114.94 3ir5 h THR 683 Ca 0.08 -2.49 -0.12 0.00 0.77 0.00 0.00 66.41 64.65 3ir5 h THR 683 Cb 0.13 2.53 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 3ir5 h THR 683 CO -0.00 0.75 -0.20 0.58 0.37 0.00 0.00 175.52 177.01 3ir5 h VAL 684 N 0.25 1.28 -0.54 3.16 2.07 -1.05 0.17 116.25 121.58 3ir5 h VAL 684 Ca -0.11 -1.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 3ir5 h VAL 684 Cb 1.71 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.68 3ir5 h VAL 684 CO 0.19 0.46 0.24 0.50 0.02 0.00 0.00 177.57 178.98 3ir5 h LYS 685 N 0.72 0.78 -0.32 1.57 3.64 -1.21 -2.06 116.57 119.69 3ir5 h LYS 685 Ca 0.10 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 3ir5 h LYS 685 Cb 0.77 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 3ir5 h LYS 685 CO 0.06 0.66 -0.18 0.77 -2.27 0.00 0.00 179.45 178.49 3ir5 h SER 686 N 0.72 0.58 -0.27 4.20 0.02 -1.20 -1.73 113.55 115.87 3ir5 h SER 686 Ca 0.18 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3ir5 h SER 686 Cb 0.15 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3ir5 h SER 686 CO -0.02 0.78 0.06 -0.07 -1.14 0.00 0.00 176.83 176.44 3ir5 h LEU 687 N 0.53 0.41 0.36 5.07 3.38 -0.63 0.18 115.31 124.61 3ir5 h LEU 687 Ca 0.09 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3ir5 h LEU 687 Cb 0.61 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3ir5 h LEU 687 CO 0.04 0.54 -0.17 0.11 0.09 0.00 0.00 178.44 179.05 3ir5 h LYS 688 N 0.27 -0.46 0.00 1.13 1.57 -1.25 -2.73 116.57 115.10 3ir5 h LYS 688 Ca 0.08 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3ir5 h LYS 688 Cb 0.29 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 3ir5 h LYS 688 CO 0.00 -0.27 -0.07 0.93 -0.57 0.00 0.00 179.45 179.48 3ir5 h GLU 689 N -0.54 0.00 0.00 3.15 5.08 -1.27 -3.46 114.58 117.54 3ir5 h GLU 689 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3ir5 h GLU 689 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3ir5 h GLU 689 CO 0.08 0.07 0.00 0.41 -1.00 0.00 0.00 179.01 178.57 3ir5 n GLY 690 N -0.96 0.76 0.18 -3.84 0.00 0.49 -4.92 105.19 96.90 3ir5 n GLY 690 Ca -0.02 -0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.04 3ir5 n GLY 690 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ir5 h SER 691 N 0.00 0.00 -3.87 1.61 4.64 -1.47 -3.41 113.55 111.04 3ir5 h SER 691 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 3ir5 h SER 691 Cb 0.00 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 61.78 3ir5 h SER 691 CO 0.00 0.41 -0.85 -0.63 -0.87 0.00 0.00 176.83 174.89 3ir5 s ILE 692 N -3.46 1.56 0.25 0.95 1.01 -1.02 -5.02 121.20 115.45 3ir5 s ILE 692 Ca 0.01 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 59.93 3ir5 s ILE 692 Cb 0.10 -1.33 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 3ir5 s ILE 692 CO 0.70 0.44 -0.06 -0.13 0.00 0.00 0.00 174.94 175.90 3ir5 s ARG 693 N 0.04 1.42 0.14 2.79 0.52 -1.26 -4.09 118.95 118.51 3ir5 s ARG 693 Ca -0.05 -1.70 -0.30 0.00 -0.52 0.00 0.00 55.73 53.16 3ir5 s ARG 693 Cb -0.12 -0.96 -0.07 0.00 0.52 0.00 0.00 34.95 34.32 3ir5 s ARG 693 CO 0.03 0.02 1.11 -0.06 0.02 0.00 0.00 175.30 176.42 3ir5 s PHE 694 N -3.14 3.57 0.47 -0.53 0.40 -1.26 -0.84 117.98 116.65 3ir5 s PHE 694 Ca 0.27 1.55 0.16 0.00 -0.60 0.00 0.00 56.93 58.32 3ir5 s PHE 694 Cb 0.04 -3.29 1.15 0.00 0.51 0.00 0.00 43.02 41.43 3ir5 s PHE 694 CO 0.09 -0.69 2.03 0.00 0.70 0.00 0.00 175.22 177.35 3ir5 h ALA 695 N 5.59 2.10 -0.40 5.36 0.00 -0.65 -1.87 119.26 129.39 3ir5 h ALA 695 Ca -0.43 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.58 3ir5 h ALA 695 Cb 1.21 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3ir5 h ALA 695 CO 0.74 -0.20 0.35 0.00 0.00 0.00 0.00 179.25 180.14 3ir5 h ALA 696 N 1.77 2.20 -0.10 0.00 0.00 -1.79 -1.10 119.26 120.24 3ir5 h ALA 696 Ca 0.20 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3ir5 h ALA 696 Cb 0.49 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3ir5 h ALA 696 CO -0.04 -0.55 -0.33 0.93 0.00 0.00 0.00 179.25 179.26 3ir5 h GLU 697 N 0.00 0.19 -1.97 0.00 5.08 -1.58 -3.35 114.58 112.95 3ir5 h GLU 697 Ca 0.19 -0.07 -0.50 0.00 -1.00 0.00 0.00 59.36 57.98 3ir5 h GLU 697 Cb 0.88 -0.01 -0.40 0.00 0.50 0.00 0.00 28.75 29.72 3ir5 h GLU 697 CO -0.00 0.50 -1.07 1.04 -1.00 0.00 0.00 179.01 178.48 3ir5 n GLN 698 N -4.11 1.52 0.28 2.33 6.02 -0.43 -2.15 117.38 120.84 3ir5 n GLN 698 Ca -0.01 -3.71 0.13 0.00 -0.01 0.00 0.00 57.00 53.40 3ir5 n GLN 698 Cb 0.41 -1.79 0.71 0.00 1.02 0.00 0.00 30.24 30.59 3ir5 n GLN 698 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3ir5 h PRO 699 N 2.99 0.00 -0.31 -1.09 0.13 -1.68 -1.97 132.00 130.07 3ir5 h PRO 699 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3ir5 h PRO 699 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3ir5 h PRO 699 CO 0.57 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.73 3ir5 n GLU 700 N -2.64 2.89 0.15 0.86 1.02 -1.26 -4.16 120.64 117.50 3ir5 n GLU 700 Ca -0.02 -2.00 0.13 0.00 -0.02 0.00 0.00 57.16 55.25 3ir5 n GLU 700 Cb 0.32 -1.25 0.52 0.00 -0.02 0.00 0.00 31.44 31.00 3ir5 n GLU 700 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 3ir5 h ASN 701 N 1.80 0.00 0.00 1.62 -1.07 -1.76 -3.47 115.58 112.70 3ir5 h ASN 701 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3ir5 h ASN 701 Cb 0.72 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.97 3ir5 h ASN 701 CO 0.00 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 3ir5 n GLY 702 N 0.04 0.85 0.00 9.14 0.00 -1.26 -4.92 105.19 109.04 3ir5 n GLY 702 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3ir5 n GLY 702 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ir5 n LYS 703 N -0.85 -0.28 -0.24 1.61 5.02 -1.26 -4.79 118.16 117.37 3ir5 n LYS 703 Ca 0.00 -0.31 0.07 0.00 -2.02 0.00 0.00 58.31 56.05 3ir5 n LYS 703 Cb 0.00 -0.73 0.17 0.00 -0.02 0.00 0.00 35.03 34.45 3ir5 n LYS 703 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ir5 n ASN 704 N -0.02 3.07 -4.66 4.39 3.02 -1.26 -4.94 115.26 114.86 3ir5 n ASN 704 Ca 0.00 -2.66 -0.30 0.00 -0.03 0.00 0.00 54.58 51.58 3ir5 n ASN 704 Cb 0.16 -0.37 -0.09 0.00 -0.61 0.00 0.00 39.78 38.87 3ir5 n ASN 704 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 3ir5 s HIS 705 N -2.18 2.94 0.61 3.10 -3.43 -1.26 -4.24 115.29 110.83 3ir5 s HIS 705 Ca 0.30 -0.04 -0.18 0.00 -0.80 0.00 0.00 55.06 54.34 3ir5 s HIS 705 Cb 0.23 -1.53 -0.03 0.00 -1.43 0.00 0.00 32.58 29.82 3ir5 s HIS 705 CO 0.08 0.46 1.17 -1.25 -2.00 0.00 0.00 174.74 173.20 3ir5 s PRO 706 N -2.17 2.95 0.00 -0.38 0.04 -1.26 -4.90 135.00 129.28 3ir5 s PRO 706 Ca 0.24 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.97 3ir5 s PRO 706 Cb -0.12 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.48 3ir5 s PRO 706 CO 0.16 -1.19 0.00 0.54 0.04 0.00 0.00 177.00 176.55 3ir5 n ARG 707 N -1.77 2.91 -4.37 4.56 1.74 0.59 -4.08 116.66 116.23 3ir5 n ARG 707 Ca 0.13 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.89 3ir5 n ARG 707 Cb 0.50 -0.94 -0.16 0.00 -1.02 0.00 0.00 32.46 30.84 3ir5 n ARG 707 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3ir5 s ASN 708 N -2.54 2.90 -0.10 0.55 0.02 -0.99 0.03 114.94 114.81 3ir5 s ASN 708 Ca 0.00 -0.56 0.02 0.00 -1.02 0.00 0.00 52.86 51.30 3ir5 s ASN 708 Cb 0.00 -1.33 0.01 0.00 0.02 0.00 0.00 41.25 39.95 3ir5 s ASN 708 CO 0.00 0.02 -0.14 -0.22 0.02 0.00 0.00 177.10 176.78 3ir5 s LEU 709 N 1.09 1.66 -0.19 0.60 2.96 -0.61 0.22 118.68 124.40 3ir5 s LEU 709 Ca -0.02 -0.38 -0.08 0.00 -0.22 0.00 0.00 54.13 53.43 3ir5 s LEU 709 Cb -0.14 -1.00 -0.04 0.00 0.50 0.00 0.00 46.19 45.51 3ir5 s LEU 709 CO -0.06 0.01 0.07 -0.36 -1.32 0.00 0.00 176.35 174.69 3ir5 s PHE 710 N 0.94 3.24 -0.14 5.38 0.08 0.23 -1.11 117.98 126.60 3ir5 s PHE 710 Ca -0.08 0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.01 3ir5 s PHE 710 Cb -0.15 -2.11 0.02 0.00 -0.57 0.00 0.00 43.02 40.21 3ir5 s PHE 710 CO -0.00 0.10 -0.13 0.42 -0.10 0.00 0.00 175.22 175.50 3ir5 s ILE 711 N 0.54 1.49 -0.06 0.64 1.01 0.18 0.13 121.20 125.12 3ir5 s ILE 711 Ca 0.04 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 59.99 3ir5 s ILE 711 Cb -0.13 -1.41 0.02 0.00 0.01 0.00 0.00 42.46 40.95 3ir5 s ILE 711 CO 0.01 0.45 0.26 -1.66 0.00 0.00 0.00 174.94 174.00 3ir5 s TRP 712 N 1.48 -0.21 -1.63 3.97 -2.14 -1.08 -1.42 118.94 117.91 3ir5 s TRP 712 Ca 0.04 0.47 0.00 0.00 2.66 0.00 0.00 56.10 59.27 3ir5 s TRP 712 Cb -0.13 0.08 0.00 0.00 -3.10 0.00 0.00 33.47 30.32 3ir5 s TRP 712 CO -0.10 -0.24 0.00 0.54 -2.66 0.00 0.00 176.95 174.49 3ir5 n ARG 713 N 2.22 -1.45 -3.62 3.25 1.74 -1.26 -4.31 116.66 113.25 3ir5 n ARG 713 Ca -0.17 0.93 -0.13 0.00 -0.77 0.00 0.00 57.85 57.70 3ir5 n ARG 713 Cb 0.57 -5.42 -0.06 0.00 -1.02 0.00 0.00 32.46 26.53 3ir5 n ARG 713 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3ir5 s SER 714 N -2.25 -0.37 -0.39 0.55 0.15 -1.26 -4.29 113.70 105.84 3ir5 s SER 714 Ca 0.00 0.11 0.10 0.00 0.70 0.00 0.00 55.95 56.87 3ir5 s SER 714 Cb 0.00 0.46 0.44 0.00 -1.71 0.00 0.00 66.02 65.21 3ir5 s SER 714 CO 0.00 -0.68 1.05 -3.20 1.20 0.00 0.00 173.24 171.61 3ir5 n ASN 715 N 0.50 3.44 -0.20 5.45 5.15 -1.26 -4.97 115.26 123.37 3ir5 n ASN 715 Ca -0.18 -3.32 -0.05 0.00 -0.60 0.00 0.00 54.58 50.43 3ir5 n ASN 715 Cb 0.60 -0.48 -0.05 0.00 -0.53 0.00 0.00 39.78 39.32 3ir5 n ASN 715 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 3ir5 n LEU 716 N -0.33 -0.49 -4.52 1.20 7.94 -1.26 -3.47 117.00 116.07 3ir5 n LEU 716 Ca 0.27 1.27 -0.42 0.00 -1.11 0.00 0.00 56.01 56.03 3ir5 n LEU 716 Cb 0.73 -0.33 -0.03 0.00 0.53 0.00 0.00 43.42 44.32 3ir5 n LEU 716 CO 0.31 -0.90 1.05 -0.76 -1.11 0.00 0.00 177.39 175.98 3ir5 s LEU 717 N -8.10 3.51 0.00 -1.96 1.43 -1.26 -0.98 118.68 111.33 3ir5 s LEU 717 Ca -0.06 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 3ir5 s LEU 717 Cb 0.05 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.73 3ir5 s LEU 717 CO 0.29 -1.71 0.00 0.61 0.23 0.00 0.00 176.35 175.77 3ir5 n GLY 718 N 5.35 2.73 7.00 -3.19 0.00 -1.23 -1.17 105.19 114.69 3ir5 n GLY 718 Ca 0.01 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.22 3ir5 n GLY 718 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ir5 n SER 719 N 0.00 0.00 0.00 1.61 2.88 -1.25 -3.93 113.62 112.93 3ir5 n SER 719 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3ir5 n SER 719 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3ir5 n SER 719 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3ir5 n SER 720 N 3.45 0.00 -4.56 -3.46 2.88 -1.25 -4.68 113.62 105.99 3ir5 n SER 720 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 3ir5 n SER 720 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 3ir5 n SER 720 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ir5 n GLY 721 N -0.98 0.46 3.77 0.46 0.00 -0.15 -4.97 105.19 103.78 3ir5 n GLY 721 Ca 0.00 0.71 -0.40 0.00 0.00 0.00 0.00 46.02 46.32 3ir5 n GLY 721 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ir5 s LYS 722 N 7.62 4.06 -0.31 1.61 3.01 -1.26 -3.04 119.74 131.44 3ir5 s LYS 722 Ca 1.00 2.39 -0.02 0.00 -1.01 0.00 0.00 55.97 58.33 3ir5 s LYS 722 Cb -0.26 -2.90 0.00 0.00 -1.01 0.00 0.00 37.83 33.67 3ir5 s LYS 722 CO 0.30 -0.50 0.27 0.41 0.51 0.00 0.00 175.35 176.34 3ir5 n GLY 723 N 0.59 0.57 0.32 -3.33 0.00 -1.08 -4.71 105.19 97.56 3ir5 n GLY 723 Ca 0.02 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 45.61 3ir5 n GLY 723 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3ir5 h HIS 724 N -0.60 -0.53 -0.62 1.61 2.76 -1.01 0.12 115.15 116.89 3ir5 h HIS 724 Ca -0.13 0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 3ir5 h HIS 724 Cb 1.08 0.36 -0.03 0.00 1.55 0.00 0.00 27.41 30.37 3ir5 h HIS 724 CO 0.11 -0.37 0.39 0.93 -1.30 0.00 0.00 177.93 177.70 3ir5 h GLU 725 N -0.01 0.82 -0.24 5.26 4.39 -1.80 -1.69 114.58 121.30 3ir5 h GLU 725 Ca 0.39 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.92 3ir5 h GLU 725 Cb 0.61 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3ir5 h GLU 725 CO -0.86 0.56 -0.31 0.74 -1.16 0.00 0.00 179.01 177.98 3ir5 h PHE 726 N 0.84 0.57 -0.25 4.33 0.04 -1.28 -2.18 116.94 119.01 3ir5 h PHE 726 Ca 0.22 -0.14 -0.05 0.00 2.80 0.00 0.00 57.97 60.81 3ir5 h PHE 726 Cb -0.07 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 37.94 3ir5 h PHE 726 CO 0.00 0.75 -0.03 0.52 -0.60 0.00 0.00 178.31 178.95 3ir5 h MET 727 N 0.43 0.47 -0.97 1.51 2.86 -0.75 0.11 114.93 118.59 3ir5 h MET 727 Ca 0.05 -0.16 0.07 0.00 -2.06 0.00 0.00 59.70 57.60 3ir5 h MET 727 Cb 0.75 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.31 3ir5 h MET 727 CO 0.06 0.66 0.62 -0.07 1.06 0.00 0.00 176.91 179.24 3ir5 h LEU 728 N 0.22 0.98 0.07 1.22 4.07 -1.21 0.16 115.31 120.83 3ir5 h LEU 728 Ca 0.07 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.04 3ir5 h LEU 728 Cb 0.47 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.02 3ir5 h LEU 728 CO 0.02 0.62 -0.03 0.50 -1.08 0.00 0.00 178.44 178.47 3ir5 h LYS 729 N 1.12 -0.09 0.00 1.13 3.64 -1.16 0.11 116.57 121.31 3ir5 h LYS 729 Ca 0.42 0.01 -0.28 0.00 -1.27 0.00 0.00 60.65 59.53 3ir5 h LYS 729 Cb 0.19 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 3ir5 h LYS 729 CO -0.18 0.47 -1.64 1.88 -2.27 0.00 0.00 179.45 177.70 3ir5 h TYR 730 N -0.90 0.00 0.10 1.91 -1.99 -0.99 -2.96 116.97 112.14 3ir5 h TYR 730 Ca -0.01 -0.00 -0.36 0.00 2.00 0.00 0.00 58.73 60.36 3ir5 h TYR 730 Cb 0.60 -0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.30 3ir5 h TYR 730 CO 0.14 1.00 -2.03 1.28 -0.00 0.00 0.00 178.16 178.55 3ir5 n LEU 731 N -3.07 2.64 -0.05 3.88 4.77 -0.06 -1.88 117.00 123.23 3ir5 n LEU 731 Ca -0.15 0.17 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 3ir5 n LEU 731 Cb 1.04 -1.08 -0.15 0.00 -2.33 0.00 0.00 43.42 40.91 3ir5 n LEU 731 CO 0.45 0.83 -0.79 0.18 -1.33 0.00 0.00 177.39 176.73 3ir5 n LEU 732 N -3.52 0.70 -1.72 2.23 4.32 -0.59 -1.48 117.00 116.94 3ir5 n LEU 732 Ca -0.34 0.24 -0.09 0.00 -0.02 0.00 0.00 56.01 55.79 3ir5 n LEU 732 Cb 1.02 0.20 0.03 0.00 -1.62 0.00 0.00 43.42 43.05 3ir5 n LEU 732 CO 0.39 0.47 0.10 0.61 -1.22 0.00 0.00 177.39 177.73 3ir5 n GLY 733 N 1.67 0.36 3.78 -0.72 0.00 0.20 -4.55 105.19 105.92 3ir5 n GLY 733 Ca -0.24 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 3ir5 n GLY 733 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ir5 s THR 734 N -3.12 1.15 0.43 2.61 -4.23 -0.20 -4.21 115.64 108.07 3ir5 s THR 734 Ca 0.23 -1.97 -0.25 0.00 -1.18 0.00 0.00 61.69 58.52 3ir5 s THR 734 Cb -0.10 -2.12 -0.10 0.00 1.34 0.00 0.00 72.50 71.52 3ir5 s THR 734 CO 0.29 0.00 1.25 -0.62 -0.54 0.00 0.00 174.62 175.00 3ir5 n GLU 735 N -1.31 1.87 -4.28 3.99 1.02 -1.26 -4.23 120.64 116.44 3ir5 n GLU 735 Ca -0.19 0.67 -0.15 0.00 -0.02 0.00 0.00 57.16 57.47 3ir5 n GLU 735 Cb 0.67 -2.37 -0.10 0.00 -0.02 0.00 0.00 31.44 29.62 3ir5 n GLU 735 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 3ir5 s HIS 736 N -1.21 1.37 -0.21 -0.32 -3.43 -1.26 -4.73 115.29 105.50 3ir5 s HIS 736 Ca 0.62 -1.06 0.16 0.00 -0.80 0.00 0.00 55.06 53.99 3ir5 s HIS 736 Cb -0.51 -0.79 0.44 0.00 -1.43 0.00 0.00 32.58 30.29 3ir5 s HIS 736 CO 0.57 -0.22 1.33 0.41 -2.00 0.00 0.00 174.74 174.83 3ir5 n GLY 737 N -0.34 4.14 3.70 -1.38 0.00 -1.26 -5.03 105.19 105.03 3ir5 n GLY 737 Ca -0.04 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 3ir5 n GLY 737 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3ir5 n ILE 738 N -0.68 1.05 -0.09 -0.61 5.41 -1.26 -4.08 119.36 119.10 3ir5 n ILE 738 Ca 0.19 -0.26 -0.09 0.00 1.00 0.00 0.00 62.75 63.58 3ir5 n ILE 738 Cb 0.78 -1.68 -0.15 0.00 -0.71 0.00 0.00 39.64 37.88 3ir5 n ILE 738 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ir5 n GLN 739 N 1.98 0.94 -2.51 0.38 1.13 -0.33 -4.91 117.38 114.06 3ir5 n GLN 739 Ca 0.10 -0.01 -0.23 0.00 -1.94 0.00 0.00 57.00 54.92 3ir5 n GLN 739 Cb 0.34 -1.48 0.05 0.00 0.11 0.00 0.00 30.24 29.25 3ir5 n GLN 739 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3ir5 s GLY 740 N -5.29 1.77 0.14 1.08 0.00 -0.35 -4.99 107.32 99.67 3ir5 s GLY 740 Ca -0.09 -1.18 -0.05 0.00 0.00 0.00 0.00 44.72 43.40 3ir5 s GLY 740 CO 0.77 -0.86 0.37 0.54 0.00 0.00 0.00 173.10 173.91 3ir5 s LYS 741 N -4.91 3.61 0.65 2.90 1.02 -1.26 -5.06 119.74 116.69 3ir5 s LYS 741 Ca 0.58 -0.10 -0.06 0.00 0.02 0.00 0.00 55.97 56.41 3ir5 s LYS 741 Cb -0.10 -2.86 0.04 0.00 -0.52 0.00 0.00 37.83 34.38 3ir5 s LYS 741 CO 0.40 0.48 0.96 0.16 -0.92 0.00 0.00 175.35 176.43 3ir5 s ASP 742 N -2.41 5.17 0.28 2.83 1.47 -1.26 -4.78 116.67 117.97 3ir5 s ASP 742 Ca 0.40 0.55 -0.08 0.00 1.18 0.00 0.00 52.55 54.60 3ir5 s ASP 742 Cb -0.12 -1.36 0.45 0.00 -0.34 0.00 0.00 42.92 41.55 3ir5 s ASP 742 CO 0.25 -1.35 1.56 -0.07 0.68 0.00 0.00 175.17 176.24 3ir5 h LEU 743 N -0.39 -0.90 -1.36 2.11 4.07 -1.54 0.34 115.31 117.64 3ir5 h LEU 743 Ca -0.45 0.29 0.05 0.00 0.08 0.00 0.00 57.88 57.86 3ir5 h LEU 743 Cb 1.29 0.61 -0.04 0.00 1.08 0.00 0.00 40.66 43.59 3ir5 h LEU 743 CO 0.60 -0.32 0.47 1.23 -1.08 0.00 0.00 178.44 179.34 3ir5 h GLY 744 N 0.00 0.97 2.00 0.83 0.00 -1.86 0.66 103.07 105.66 3ir5 h GLY 744 Ca 0.47 -0.32 -0.17 0.00 0.00 0.00 0.00 47.33 47.32 3ir5 h GLY 744 CO -1.01 0.25 -0.81 1.46 0.00 0.00 0.00 176.54 176.43 3ir5 h GLN 745 N 0.79 0.00 -0.31 4.80 4.20 -0.72 -3.09 115.11 120.78 3ir5 h GLN 745 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 3ir5 h GLN 745 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3ir5 h GLN 745 CO -0.10 0.81 0.00 1.04 -0.67 0.00 0.00 178.83 179.91 3ir5 n GLN 746 N -3.38 2.24 -2.76 1.46 6.02 -0.50 -4.93 117.38 115.54 3ir5 n GLN 746 Ca 0.00 -1.87 -0.20 0.00 -0.01 0.00 0.00 57.00 54.92 3ir5 n GLN 746 Cb 0.83 -1.47 0.02 0.00 1.02 0.00 0.00 30.24 30.64 3ir5 n GLN 746 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ir5 n GLY 747 N 1.37 -0.44 2.77 1.08 0.00 0.66 -4.99 105.19 105.64 3ir5 n GLY 747 Ca 0.18 0.02 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 3ir5 n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ir5 n GLY 748 N -1.32 -2.39 3.72 -0.02 0.00 0.20 -4.99 105.19 100.39 3ir5 n GLY 748 Ca -0.15 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 3ir5 n GLY 748 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ir5 s VAL 749 N -2.70 5.19 0.49 1.61 -7.23 -1.26 -4.79 120.40 111.72 3ir5 s VAL 749 Ca 0.56 0.92 -0.22 0.00 -1.81 0.00 0.00 61.98 61.43 3ir5 s VAL 749 Cb -0.04 -3.80 -0.07 0.00 0.56 0.00 0.00 36.38 33.03 3ir5 s VAL 749 CO 0.42 0.34 1.16 -0.54 -0.31 0.00 0.00 175.10 176.17 3ir5 s LYS 750 N 0.57 3.58 0.97 4.82 3.01 -1.26 -4.96 119.74 126.48 3ir5 s LYS 750 Ca 0.25 1.74 -0.11 0.00 -1.01 0.00 0.00 55.97 56.84 3ir5 s LYS 750 Cb -0.15 -2.26 0.17 0.00 -1.01 0.00 0.00 37.83 34.59 3ir5 s LYS 750 CO 0.10 -0.69 1.10 -1.25 0.51 0.00 0.00 175.35 175.12 3ir5 s PRO 751 N -2.91 0.62 0.00 -1.68 0.04 -1.26 -4.84 135.00 124.98 3ir5 s PRO 751 Ca 0.67 1.21 0.21 0.00 0.04 0.00 0.00 61.00 63.12 3ir5 s PRO 751 Cb -0.28 -1.71 0.31 0.00 0.04 0.00 0.00 34.50 32.87 3ir5 s PRO 751 CO 0.33 -2.79 1.27 -0.85 0.04 0.00 0.00 177.00 175.00 3ir5 n GLU 752 N -4.31 2.20 0.00 4.56 0.28 -1.26 -4.38 120.64 117.73 3ir5 n GLU 752 Ca 0.08 -2.02 0.00 0.00 -0.16 0.00 0.00 57.16 55.06 3ir5 n GLU 752 Cb 0.53 -1.44 0.00 0.00 1.43 0.00 0.00 31.44 31.97 3ir5 n GLU 752 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3ir5 n GLU 753 N 1.25 4.15 -4.97 3.44 -0.58 -1.26 -5.04 120.64 117.63 3ir5 n GLU 753 Ca 0.16 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.61 3ir5 n GLU 753 Cb 0.54 -0.61 -0.17 0.00 -0.57 0.00 0.00 31.44 30.63 3ir5 n GLU 753 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3ir5 s VAL 754 N -1.18 1.68 0.58 2.62 1.01 -1.26 -4.58 120.40 119.26 3ir5 s VAL 754 Ca 0.00 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 60.97 3ir5 s VAL 754 Cb 0.00 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 3ir5 s VAL 754 CO 0.00 0.48 1.14 0.47 0.00 0.00 0.00 175.10 177.18 3ir5 n ASP 755 N 3.45 1.57 -4.30 3.32 10.43 -0.91 -4.50 116.55 125.61 3ir5 n ASP 755 Ca -0.20 0.88 -0.29 0.00 2.57 0.00 0.00 54.79 57.75 3ir5 n ASP 755 Cb 0.52 -1.47 -0.15 0.00 1.84 0.00 0.00 41.12 41.87 3ir5 n ASP 755 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 3ir5 s TRP 756 N -1.41 2.16 -0.07 1.24 -0.11 -1.26 -4.95 118.94 114.54 3ir5 s TRP 756 Ca 0.75 -0.40 -0.05 0.00 1.22 0.00 0.00 56.10 57.62 3ir5 s TRP 756 Cb -0.42 -1.33 0.03 0.00 -1.50 0.00 0.00 33.47 30.24 3ir5 s TRP 756 CO 0.47 0.05 0.18 1.14 -4.62 0.00 0.00 176.95 174.17 3ir5 s GLN 757 N -0.95 0.16 0.38 5.86 -2.07 -1.26 -5.06 119.66 116.73 3ir5 s GLN 757 Ca 0.10 0.35 0.07 0.00 -1.82 0.00 0.00 55.36 54.06 3ir5 s GLN 757 Cb -0.09 -0.05 0.80 0.00 -1.09 0.00 0.00 33.01 32.58 3ir5 s GLN 757 CO 0.01 -0.10 1.99 -0.44 -1.32 0.00 0.00 175.29 175.43 3ir5 h ASP 758 N 6.63 0.58 -3.56 12.60 3.45 -2.00 -3.35 116.42 130.78 3ir5 h ASP 758 Ca -0.35 -0.00 -0.72 0.00 0.43 0.00 0.00 57.03 56.39 3ir5 h ASP 758 Cb 1.17 -0.13 -0.31 0.00 -0.56 0.00 0.00 39.33 39.50 3ir5 h ASP 758 CO 0.40 0.39 -0.35 0.20 -1.57 0.00 0.00 179.24 178.31 3ir5 s ASN 759 N -6.36 5.66 0.47 6.45 0.01 -1.26 -4.97 114.94 114.94 3ir5 s ASN 759 Ca -0.09 -2.21 -0.23 0.00 -0.71 0.00 0.00 52.86 49.61 3ir5 s ASN 759 Cb 0.19 -1.97 -0.09 0.00 0.41 0.00 0.00 41.25 39.78 3ir5 s ASN 759 CO 0.76 -0.59 1.07 0.61 -1.51 0.00 0.00 177.10 177.43 3ir5 n GLY 760 N 4.46 -0.03 3.70 0.66 0.00 -1.26 -4.92 105.19 107.81 3ir5 n GLY 760 Ca -0.01 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3ir5 n GLY 760 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ir5 s LEU 761 N -1.21 4.35 0.27 0.99 2.96 -1.26 -5.01 118.68 119.76 3ir5 s LEU 761 Ca 0.66 2.27 0.09 0.00 -0.22 0.00 0.00 54.13 56.93 3ir5 s LEU 761 Cb -0.51 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.57 3ir5 s LEU 761 CO 0.55 -0.73 0.01 -1.61 -1.32 0.00 0.00 176.35 173.25 3ir5 s GLU 762 N 1.96 2.34 -1.32 1.98 2.02 -1.26 -4.77 118.70 119.65 3ir5 s GLU 762 Ca 0.66 -1.40 -0.00 0.00 0.02 0.00 0.00 54.97 54.25 3ir5 s GLU 762 Cb -0.35 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 31.70 3ir5 s GLU 762 CO 0.29 0.36 0.69 0.41 0.02 0.00 0.00 175.26 177.03 3ir5 n GLY 763 N -0.92 -0.29 0.28 -1.39 0.00 -0.97 -4.86 105.19 97.04 3ir5 n GLY 763 Ca -0.06 0.13 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 3ir5 n GLY 763 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ir5 h LYS 764 N -1.87 0.59 -6.21 1.61 1.57 -1.30 -3.43 116.57 107.53 3ir5 h LYS 764 Ca -0.61 -0.13 -0.56 0.00 -1.87 0.00 0.00 60.65 57.48 3ir5 h LYS 764 Cb 1.36 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.55 3ir5 h LYS 764 CO 0.57 0.60 0.80 -0.51 -0.57 0.00 0.00 179.45 180.34 3ir5 s LEU 765 N -9.10 4.21 0.14 2.94 1.43 -0.55 -4.45 118.68 113.30 3ir5 s LEU 765 Ca -0.08 1.69 0.11 0.00 -1.03 0.00 0.00 54.13 54.83 3ir5 s LEU 765 Cb 0.15 -3.55 -0.12 0.00 0.03 0.00 0.00 46.19 42.71 3ir5 s LEU 765 CO 0.77 -0.67 1.21 0.44 0.23 0.00 0.00 176.35 178.33 3ir5 h ASP 766 N 7.78 0.00 -2.46 2.29 3.45 -0.66 -3.46 116.42 123.36 3ir5 h ASP 766 Ca -0.29 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.13 3ir5 h ASP 766 Cb 1.12 0.00 -0.25 0.00 -0.56 0.00 0.00 39.33 39.64 3ir5 h ASP 766 CO 0.93 0.80 -0.27 -0.22 -1.57 0.00 0.00 179.24 178.91 3ir5 s LEU 767 N -6.46 -0.76 -0.25 1.55 1.98 -0.88 -5.04 118.68 108.83 3ir5 s LEU 767 Ca 0.01 1.19 -0.04 0.00 -2.89 0.00 0.00 54.13 52.39 3ir5 s LEU 767 Cb 0.09 1.69 0.00 0.00 0.66 0.00 0.00 46.19 48.63 3ir5 s LEU 767 CO 0.80 -0.23 -0.01 -0.69 -1.89 0.00 0.00 176.35 174.33 3ir5 s VAL 768 N 2.52 3.42 -0.23 1.68 1.01 -1.26 -1.58 120.40 125.97 3ir5 s VAL 768 Ca -0.04 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 3ir5 s VAL 768 Cb -0.11 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.62 3ir5 s VAL 768 CO -0.15 0.28 -0.07 -0.69 0.00 0.00 0.00 175.10 174.47 3ir5 s VAL 769 N 1.45 3.03 -0.11 2.92 1.01 -0.27 -1.59 120.40 126.85 3ir5 s VAL 769 Ca 0.04 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3ir5 s VAL 769 Cb -0.16 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 3ir5 s VAL 769 CO -0.02 0.35 -0.15 -0.89 0.00 0.00 0.00 175.10 174.39 3ir5 s THR 770 N 1.40 2.90 -0.21 3.92 2.01 -0.65 -0.65 115.64 124.36 3ir5 s THR 770 Ca 0.04 -0.73 -0.06 0.00 0.31 0.00 0.00 61.69 61.25 3ir5 s THR 770 Cb -0.15 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 3ir5 s THR 770 CO -0.05 0.54 0.02 -0.76 -0.69 0.00 0.00 174.62 173.69 3ir5 s LEU 771 N 0.11 3.39 0.17 4.42 1.02 -0.51 -0.40 118.68 126.87 3ir5 s LEU 771 Ca -0.07 -0.15 -0.24 0.00 0.02 0.00 0.00 54.13 53.69 3ir5 s LEU 771 Cb -0.15 -1.87 0.06 0.00 0.02 0.00 0.00 46.19 44.25 3ir5 s LEU 771 CO 0.05 0.07 0.82 -0.62 0.02 0.00 0.00 176.35 176.69 3ir5 s ASP 772 N 1.00 -0.29 -0.00 2.29 3.68 -0.90 -4.06 116.67 118.38 3ir5 s ASP 772 Ca 0.02 -0.34 0.17 0.00 2.13 0.00 0.00 52.55 54.54 3ir5 s ASP 772 Cb -0.14 0.56 -0.20 0.00 -1.45 0.00 0.00 42.92 41.68 3ir5 s ASP 772 CO 0.02 -1.00 0.66 2.22 0.13 0.00 0.00 175.17 177.20 3ir5 n PHE 773 N -0.42 0.00 -4.22 -5.34 -1.74 -1.26 -1.14 117.46 103.35 3ir5 n PHE 773 Ca -0.08 0.00 -0.20 0.00 -0.56 0.00 0.00 57.45 56.62 3ir5 n PHE 773 Cb 0.61 -0.08 -0.12 0.00 1.52 0.00 0.00 39.48 41.41 3ir5 n PHE 773 CO 0.00 0.00 0.00 -0.98 -0.56 0.00 0.00 176.76 175.22 3ir5 s ARG 774 N -2.74 0.90 -0.88 3.97 1.70 -1.26 -0.82 118.95 119.82 3ir5 s ARG 774 Ca 0.04 -0.98 -0.25 0.00 -0.47 0.00 0.00 55.73 54.07 3ir5 s ARG 774 Cb 0.13 -0.97 0.04 0.00 -0.57 0.00 0.00 34.95 33.58 3ir5 s ARG 774 CO 0.71 0.22 1.36 -1.17 -1.08 0.00 0.00 175.30 175.34 3ir5 s LEU 775 N -1.72 3.35 0.88 -1.89 0.20 -1.02 -4.84 118.68 113.64 3ir5 s LEU 775 Ca 0.00 -0.97 -0.10 0.00 0.69 0.00 0.00 54.13 53.75 3ir5 s LEU 775 Cb -0.10 -2.56 0.18 0.00 -0.43 0.00 0.00 46.19 43.28 3ir5 s LEU 775 CO 0.03 -1.67 1.20 -0.94 -0.29 0.00 0.00 176.35 174.68 3ir5 s SER 776 N 4.37 3.53 0.27 3.68 1.04 -1.26 -4.86 113.70 120.46 3ir5 s SER 776 Ca 0.41 -0.02 -0.04 0.00 0.48 0.00 0.00 55.95 56.78 3ir5 s SER 776 Cb -0.04 -0.13 0.34 0.00 0.10 0.00 0.00 66.02 66.29 3ir5 s SER 776 CO 0.02 -2.44 1.90 0.28 0.98 0.00 0.00 173.24 173.98 3ir5 h SER 777 N -1.24 1.01 -0.41 7.02 0.02 -1.93 -1.28 113.55 116.74 3ir5 h SER 777 Ca -0.41 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.40 3ir5 h SER 777 Cb 1.24 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 3ir5 h SER 777 CO 0.37 0.79 -0.00 0.74 -1.14 0.00 0.00 176.83 177.60 3ir5 h THR 778 N 1.15 1.26 -0.59 -2.27 2.02 -1.43 -2.78 112.91 110.26 3ir5 h THR 778 Ca 0.29 -1.02 0.03 0.00 0.77 0.00 0.00 66.41 66.49 3ir5 h THR 778 Cb -0.01 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 3ir5 h THR 778 CO -0.05 0.35 0.35 0.00 0.37 0.00 0.00 175.52 176.53 3ir5 h LEU 780 N 0.68 0.00 -2.66 0.00 5.85 -0.97 -0.53 115.31 117.67 3ir5 h LEU 780 Ca 0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3ir5 h LEU 780 Cb 0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3ir5 h LEU 780 CO -0.12 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.76 3ir5 n TYR 781 N -4.12 0.66 -2.60 1.25 4.02 -0.71 -2.52 117.16 113.14 3ir5 n TYR 781 Ca 0.08 -0.43 -0.22 0.00 -0.01 0.00 0.00 57.90 57.31 3ir5 n TYR 781 Cb 0.57 -0.01 0.06 0.00 -0.02 0.00 0.00 39.34 39.95 3ir5 n TYR 781 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3ir5 s SER 782 N -1.07 4.92 -0.19 7.72 0.01 -0.21 -4.52 113.70 120.36 3ir5 s SER 782 Ca 0.36 -0.13 0.03 0.00 1.31 0.00 0.00 55.95 57.51 3ir5 s SER 782 Cb 0.19 -0.55 -0.21 0.00 0.21 0.00 0.00 66.02 65.66 3ir5 s SER 782 CO 0.26 -1.43 0.06 0.47 0.41 0.00 0.00 173.24 173.01 3ir5 n ASP 783 N -2.54 1.65 -3.95 2.44 8.00 -0.62 -4.79 116.55 116.74 3ir5 n ASP 783 Ca 0.11 0.03 -0.22 0.00 0.71 0.00 0.00 54.79 55.42 3ir5 n ASP 783 Cb 0.60 -0.32 -0.16 0.00 -0.02 0.00 0.00 41.12 41.22 3ir5 n ASP 783 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ir5 s ILE 784 N -2.53 0.79 -0.16 0.53 1.01 -1.05 -1.54 121.20 118.24 3ir5 s ILE 784 Ca -0.25 -0.28 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 3ir5 s ILE 784 Cb 0.08 -0.77 -0.01 0.00 0.01 0.00 0.00 42.46 41.77 3ir5 s ILE 784 CO 0.70 0.28 -0.10 -0.63 0.00 0.00 0.00 174.94 175.19 3ir5 s ILE 785 N 0.80 3.10 -0.23 2.92 1.01 -0.24 -1.64 121.20 126.92 3ir5 s ILE 785 Ca -0.13 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 3ir5 s ILE 785 Cb -0.15 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 3ir5 s ILE 785 CO 0.02 0.49 0.01 -0.76 0.00 0.00 0.00 174.94 174.70 3ir5 s LEU 786 N 0.81 3.21 -0.31 2.97 1.43 0.46 -0.28 118.68 126.96 3ir5 s LEU 786 Ca -0.04 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.51 3ir5 s LEU 786 Cb -0.15 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 3ir5 s LEU 786 CO 0.01 -0.00 1.68 -2.16 0.23 0.00 0.00 176.35 176.11 3ir5 s PRO 787 N 1.39 3.50 0.22 1.29 0.04 -1.26 -2.13 135.00 138.06 3ir5 s PRO 787 Ca 0.05 1.41 0.05 0.00 0.04 0.00 0.00 61.00 62.54 3ir5 s PRO 787 Cb -0.15 -4.12 -0.03 0.00 0.04 0.00 0.00 34.50 30.24 3ir5 s PRO 787 CO 0.01 -1.65 0.33 -0.08 0.04 0.00 0.00 177.00 175.64 3ir5 s THR 788 N 6.17 5.20 0.35 1.26 -1.32 -0.29 -1.98 115.64 125.02 3ir5 s THR 788 Ca 0.74 -0.96 -0.27 0.00 -1.21 0.00 0.00 61.69 59.99 3ir5 s THR 788 Cb -0.22 -3.79 -0.09 0.00 -1.51 0.00 0.00 72.50 66.89 3ir5 s THR 788 CO 0.32 -0.28 1.13 0.00 -2.21 0.00 0.00 174.62 173.59 3ir5 s ALA 789 N -1.94 3.27 0.98 11.08 0.00 0.50 -4.19 121.76 131.45 3ir5 s ALA 789 Ca 0.34 0.91 -0.14 0.00 0.00 0.00 0.00 51.96 53.07 3ir5 s ALA 789 Cb -0.09 -3.35 0.18 0.00 0.00 0.00 0.00 23.12 19.86 3ir5 s ALA 789 CO 0.28 -0.33 1.16 0.95 0.00 0.00 0.00 175.76 177.82 3ir5 s THR 790 N -1.34 1.93 0.02 0.00 -4.23 -1.26 -4.87 115.64 105.89 3ir5 s THR 790 Ca 0.52 0.00 0.31 0.00 -1.18 0.00 0.00 61.69 61.34 3ir5 s THR 790 Cb -0.30 -2.72 0.32 0.00 1.34 0.00 0.00 72.50 71.15 3ir5 s THR 790 CO 0.38 0.00 1.93 -0.50 -0.54 0.00 0.00 174.62 175.90 3ir5 h TRP 791 N -1.75 0.00 -0.57 3.99 6.55 -1.94 -1.36 115.95 120.88 3ir5 h TRP 791 Ca -0.49 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.35 3ir5 h TRP 791 Cb 1.31 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.61 3ir5 h TRP 791 CO -0.36 0.00 0.00 0.66 -1.05 0.00 0.00 178.44 177.69 3ir5 n TYR 792 N -2.66 0.80 -1.54 0.49 0.53 -1.26 -4.19 117.16 109.34 3ir5 n TYR 792 Ca -0.00 -0.39 0.05 0.00 -1.02 0.00 0.00 57.90 56.54 3ir5 n TYR 792 Cb 0.15 -0.02 0.08 0.00 -1.03 0.00 0.00 39.34 38.53 3ir5 n TYR 792 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 3ir5 n GLU 793 N 1.15 0.68 -3.50 -0.72 1.02 -0.51 -0.38 120.64 118.39 3ir5 n GLU 793 Ca 0.19 -1.88 -0.13 0.00 -0.02 0.00 0.00 57.16 55.33 3ir5 n GLU 793 Cb 0.50 -1.02 -0.04 0.00 -0.02 0.00 0.00 31.44 30.87 3ir5 n GLU 793 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 3ir5 s LYS 794 N -1.53 1.17 0.02 3.49 -2.85 -1.24 -4.25 119.74 114.55 3ir5 s LYS 794 Ca 0.18 -0.40 -0.10 0.00 -1.00 0.00 0.00 55.97 54.65 3ir5 s LYS 794 Cb 0.16 0.53 -0.05 0.00 -2.06 0.00 0.00 37.83 36.41 3ir5 s LYS 794 CO 0.01 -0.47 0.35 -0.51 0.10 0.00 0.00 175.35 174.83 3ir5 s ASP 795 N -2.45 6.64 -0.08 0.03 1.01 -1.26 -2.60 116.67 117.96 3ir5 s ASP 795 Ca -0.01 0.77 -0.31 0.00 0.71 0.00 0.00 52.55 53.71 3ir5 s ASP 795 Cb -0.00 -2.17 0.11 0.00 1.01 0.00 0.00 42.92 41.86 3ir5 s ASP 795 CO -0.08 0.26 1.37 -0.62 0.21 0.00 0.00 175.17 176.30 3ir5 s ASP 796 N -1.48 -0.00 0.19 0.27 3.68 -0.51 -4.82 116.67 114.00 3ir5 s ASP 796 Ca 0.27 -0.05 0.08 0.00 2.13 0.00 0.00 52.55 54.98 3ir5 s ASP 796 Cb -0.14 0.04 -0.04 0.00 -1.45 0.00 0.00 42.92 41.32 3ir5 s ASP 796 CO 0.15 -0.07 -0.15 -0.04 0.13 0.00 0.00 175.17 175.19 3ir5 s MET 797 N -2.02 1.29 -0.08 4.34 -1.94 -1.26 0.42 119.30 120.05 3ir5 s MET 797 Ca 0.29 -1.52 -0.06 0.00 -1.71 0.00 0.00 55.69 52.69 3ir5 s MET 797 Cb 0.01 -1.12 0.02 0.00 2.01 0.00 0.00 34.83 35.75 3ir5 s MET 797 CO -0.03 0.19 0.20 1.21 -0.01 0.00 0.00 175.02 176.58 3ir5 s ASN 798 N -3.13 -0.20 0.23 3.03 3.84 -0.35 -2.53 114.94 115.83 3ir5 s ASN 798 Ca 0.20 0.40 0.00 0.00 0.21 0.00 0.00 52.86 53.67 3ir5 s ASN 798 Cb -0.02 0.38 -0.05 0.00 -0.55 0.00 0.00 41.25 41.02 3ir5 s ASN 798 CO 0.06 -0.09 0.11 0.42 -2.79 0.00 0.00 177.10 174.82 3ir5 s THR 799 N 0.35 0.30 0.18 -5.21 -4.23 -0.79 -2.77 115.64 103.47 3ir5 s THR 799 Ca -0.02 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.32 3ir5 s THR 799 Cb -0.03 -2.57 0.03 0.00 1.34 0.00 0.00 72.50 71.27 3ir5 s THR 799 CO -0.01 -0.00 0.50 -0.55 -0.54 0.00 0.00 174.62 174.01 3ir5 s SER 800 N -3.24 -0.27 0.34 3.99 0.15 -1.20 -4.56 113.70 108.91 3ir5 s SER 800 Ca 0.38 -0.42 0.17 0.00 0.70 0.00 0.00 55.95 56.77 3ir5 s SER 800 Cb 0.07 0.56 0.57 0.00 -1.71 0.00 0.00 66.02 65.51 3ir5 s SER 800 CO 0.13 -1.01 1.69 0.44 1.20 0.00 0.00 173.24 175.69 3ir5 h ASP 801 N 2.22 0.00 0.01 5.45 5.19 -1.85 -3.29 116.42 124.15 3ir5 h ASP 801 Ca -0.30 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.00 3ir5 h ASP 801 Cb 1.26 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.76 3ir5 h ASP 801 CO 0.39 0.44 -0.34 0.24 -3.12 0.00 0.00 179.24 176.86 3ir5 h MET 802 N 0.00 0.46 -4.32 3.56 2.86 -1.90 -3.40 114.93 112.19 3ir5 h MET 802 Ca -0.00 -0.21 -0.19 0.00 -2.06 0.00 0.00 59.70 57.24 3ir5 h MET 802 Cb 0.97 -0.01 -0.13 0.00 0.06 0.00 0.00 31.60 32.49 3ir5 h MET 802 CO 0.06 0.75 -0.48 -3.38 1.06 0.00 0.00 176.91 174.91 3ir5 s HIS 803 N -4.34 0.93 -1.65 -0.22 -3.43 -1.24 -1.67 115.29 103.67 3ir5 s HIS 803 Ca -0.07 -1.19 0.17 0.00 -0.80 0.00 0.00 55.06 53.17 3ir5 s HIS 803 Cb 0.13 -0.35 0.55 0.00 -1.43 0.00 0.00 32.58 31.49 3ir5 s HIS 803 CO 0.80 -0.74 1.45 -0.35 -2.00 0.00 0.00 174.74 173.90 3ir5 n PRO 804 N -0.30 2.76 -3.37 -0.38 -0.04 -1.26 -4.34 135.00 128.06 3ir5 n PRO 804 Ca 0.01 -2.22 -0.35 0.00 -0.04 0.00 0.00 63.50 60.90 3ir5 n PRO 804 Cb 0.65 -1.60 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 3ir5 n PRO 804 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3ir5 s PHE 805 N -1.47 3.58 -0.19 0.54 0.40 -1.26 -0.93 117.98 118.65 3ir5 s PHE 805 Ca 0.41 1.03 -0.01 0.00 -0.60 0.00 0.00 56.93 57.76 3ir5 s PHE 805 Cb 0.23 -2.35 0.01 0.00 0.51 0.00 0.00 43.02 41.43 3ir5 s PHE 805 CO 0.24 0.42 -0.15 -1.50 0.70 0.00 0.00 175.22 174.93 3ir5 s ILE 806 N -1.50 2.50 0.27 0.64 2.07 -0.34 -4.52 121.20 120.31 3ir5 s ILE 806 Ca 0.39 -0.79 0.02 0.00 -1.41 0.00 0.00 60.65 58.85 3ir5 s ILE 806 Cb -0.14 -2.08 -0.05 0.00 0.13 0.00 0.00 42.46 40.31 3ir5 s ILE 806 CO 0.19 0.50 0.08 -1.38 -1.91 0.00 0.00 174.94 172.42 3ir5 s HIS 807 N 1.34 1.64 0.53 3.50 -3.43 -1.11 -2.84 115.29 114.92 3ir5 s HIS 807 Ca 0.05 -1.11 0.07 0.00 -0.80 0.00 0.00 55.06 53.28 3ir5 s HIS 807 Cb -0.13 -0.99 0.05 0.00 -1.43 0.00 0.00 32.58 30.07 3ir5 s HIS 807 CO -0.10 -0.23 0.55 -1.25 -2.00 0.00 0.00 174.74 171.72 3ir5 s PRO 808 N -3.99 2.33 -0.07 -0.38 0.04 -1.26 -1.21 135.00 130.46 3ir5 s PRO 808 Ca 0.37 -1.78 0.03 0.00 0.04 0.00 0.00 61.00 59.65 3ir5 s PRO 808 Cb 0.08 -2.37 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 3ir5 s PRO 808 CO 0.14 -0.64 -0.16 -0.51 0.04 0.00 0.00 177.00 175.86 3ir5 s LEU 809 N -4.41 2.59 0.05 -3.56 1.02 0.17 -3.25 118.68 111.29 3ir5 s LEU 809 Ca 0.47 -0.29 0.03 0.00 0.02 0.00 0.00 54.13 54.36 3ir5 s LEU 809 Cb -0.04 -1.53 -0.02 0.00 0.02 0.00 0.00 46.19 44.62 3ir5 s LEU 809 CO 0.29 0.28 -0.09 -0.44 0.02 0.00 0.00 176.35 176.41 3ir5 s SER 810 N -0.37 1.05 -0.51 2.29 0.01 -1.07 -1.43 113.70 113.67 3ir5 s SER 810 Ca 0.04 -0.55 -0.29 0.00 1.31 0.00 0.00 55.95 56.45 3ir5 s SER 810 Cb -0.12 0.01 0.03 0.00 0.21 0.00 0.00 66.02 66.15 3ir5 s SER 810 CO 0.02 -0.17 1.15 0.00 0.41 0.00 0.00 173.24 174.65 3ir5 s ALA 811 N -1.32 3.11 0.23 1.44 0.00 -1.15 -4.13 121.76 119.93 3ir5 s ALA 811 Ca -0.08 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.35 3ir5 s ALA 811 Cb -0.10 -3.93 0.21 0.00 0.00 0.00 0.00 23.12 19.30 3ir5 s ALA 811 CO 0.01 -2.37 1.53 0.00 0.00 0.00 0.00 175.76 174.93 3ir5 h ALA 812 N 9.32 0.80 -2.57 0.00 0.00 -1.04 -3.46 119.26 122.29 3ir5 h ALA 812 Ca -0.24 -0.58 -0.07 0.00 0.00 0.00 0.00 54.91 54.02 3ir5 h ALA 812 Cb 1.06 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.61 3ir5 h ALA 812 CO 1.14 0.77 -0.11 0.08 0.00 0.00 0.00 179.25 181.13 3ir5 s VAL 813 N -3.65 0.06 0.61 0.00 1.01 -1.24 -5.04 120.40 112.15 3ir5 s VAL 813 Ca -0.04 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 3ir5 s VAL 813 Cb 0.12 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 3ir5 s VAL 813 CO 0.80 -0.28 1.21 0.47 0.00 0.00 0.00 175.10 177.30 3ir5 n ASP 814 N 0.35 1.84 -4.62 3.32 8.00 -1.26 -4.48 116.55 119.70 3ir5 n ASP 814 Ca -0.18 0.86 -0.49 0.00 0.71 0.00 0.00 54.79 55.69 3ir5 n ASP 814 Cb 0.61 -1.51 -0.05 0.00 -0.02 0.00 0.00 41.12 40.15 3ir5 n ASP 814 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3ir5 n PRO 815 N -1.43 1.53 -1.16 -0.24 -0.02 -1.26 -4.91 135.00 127.50 3ir5 n PRO 815 Ca 0.14 0.55 -0.31 0.00 -2.02 0.00 0.00 63.50 61.86 3ir5 n PRO 815 Cb 0.47 -2.19 0.11 0.00 -0.02 0.00 0.00 33.50 31.87 3ir5 n PRO 815 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ir5 s ALA 816 N 0.35 2.07 0.00 3.55 0.00 -1.26 -4.60 121.76 121.87 3ir5 s ALA 816 Ca 0.78 0.40 0.00 0.00 0.00 0.00 0.00 51.96 53.14 3ir5 s ALA 816 Cb -0.82 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 18.97 3ir5 s ALA 816 CO 0.46 -1.99 0.00 0.91 0.00 0.00 0.00 175.76 175.15 3ir5 n TRP 817 N -3.58 0.00 -0.96 0.00 8.01 -1.26 -1.89 117.44 117.75 3ir5 n TRP 817 Ca 0.10 0.00 0.04 0.00 -1.31 0.00 0.00 57.50 56.33 3ir5 n TRP 817 Cb 0.53 0.00 0.36 0.00 -2.01 0.00 0.00 31.31 30.19 3ir5 n TRP 817 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 3ir5 n GLU 818 N 14.00 4.38 -1.87 -0.99 1.02 -0.68 -5.00 120.64 131.50 3ir5 n GLU 818 Ca 0.00 -3.12 -0.33 0.00 -0.02 0.00 0.00 57.16 53.69 3ir5 n GLU 818 Cb 0.00 -2.21 0.03 0.00 -0.02 0.00 0.00 31.44 29.24 3ir5 n GLU 818 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ir5 s ALA 819 N -2.85 2.56 0.03 0.62 0.00 -0.79 -4.86 121.76 116.47 3ir5 s ALA 819 Ca 0.54 0.52 -0.00 0.00 0.00 0.00 0.00 51.96 53.01 3ir5 s ALA 819 Cb 0.42 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 3ir5 s ALA 819 CO 0.14 -1.11 -0.03 0.15 0.00 0.00 0.00 175.76 174.91 3ir5 s LYS 820 N -4.04 0.43 0.71 0.00 1.02 -0.84 -4.70 119.74 112.31 3ir5 s LYS 820 Ca 0.66 -0.85 -0.13 0.00 0.02 0.00 0.00 55.97 55.67 3ir5 s LYS 820 Cb -0.19 0.13 0.02 0.00 -0.52 0.00 0.00 37.83 37.27 3ir5 s LYS 820 CO 0.39 -0.07 1.10 -1.54 -0.92 0.00 0.00 175.35 174.31 3ir5 s SER 821 N -2.03 4.88 0.26 2.83 1.04 -1.26 -0.37 113.70 119.06 3ir5 s SER 821 Ca -0.07 1.91 -0.02 0.00 0.48 0.00 0.00 55.95 58.25 3ir5 s SER 821 Cb -0.03 -2.54 0.47 0.00 0.10 0.00 0.00 66.02 64.02 3ir5 s SER 821 CO -0.04 -1.78 1.83 0.44 0.98 0.00 0.00 173.24 174.66 3ir5 h ASP 822 N -0.46 0.81 -0.49 7.02 3.32 -1.90 -0.32 116.42 124.40 3ir5 h ASP 822 Ca -0.45 0.05 0.02 0.00 0.02 0.00 0.00 57.03 56.66 3ir5 h ASP 822 Cb 1.24 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 3ir5 h ASP 822 CO 0.53 0.45 0.31 -0.25 -1.72 0.00 0.00 179.24 178.56 3ir5 h TRP 823 N 0.91 0.58 0.00 4.55 2.91 -1.85 -1.67 115.95 121.38 3ir5 h TRP 823 Ca 0.44 0.02 -0.13 0.00 1.13 0.00 0.00 58.89 60.35 3ir5 h TRP 823 Cb 0.41 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 28.85 3ir5 h TRP 823 CO -0.03 0.35 -0.60 0.93 -1.03 0.00 0.00 178.44 178.05 3ir5 h GLU 824 N 0.62 0.00 0.07 2.65 4.39 -1.70 -2.33 114.58 118.28 3ir5 h GLU 824 Ca 0.19 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.89 3ir5 h GLU 824 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3ir5 h GLU 824 CO -0.07 0.60 -0.03 0.82 -1.16 0.00 0.00 179.01 179.17 3ir5 h ILE 825 N 0.00 1.11 0.00 3.13 2.04 -0.60 -2.29 117.51 120.90 3ir5 h ILE 825 Ca -0.01 -0.66 -0.06 0.00 1.00 0.00 0.00 64.86 65.14 3ir5 h ILE 825 Cb 1.09 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 3ir5 h ILE 825 CO 0.08 0.16 -0.29 1.88 0.00 0.00 0.00 178.15 179.98 3ir5 h TYR 826 N -0.39 0.00 -0.32 1.37 0.05 -1.34 -1.99 116.97 114.35 3ir5 h TYR 826 Ca -0.01 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.65 3ir5 h TYR 826 Cb 0.34 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 3ir5 h TYR 826 CO 0.02 0.29 -0.28 -0.22 -1.05 0.00 0.00 178.16 176.92 3ir5 h LYS 827 N 0.00 0.75 -0.28 4.88 3.64 -1.35 -0.26 116.57 123.95 3ir5 h LYS 827 Ca -0.00 -0.38 -0.10 0.00 -1.27 0.00 0.00 60.65 58.90 3ir5 h LYS 827 Cb 0.69 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 3ir5 h LYS 827 CO 0.04 1.00 -0.24 0.00 -2.27 0.00 0.00 179.45 177.98 3ir5 h ALA 828 N 0.73 1.06 -0.24 5.00 0.00 -1.19 0.90 119.26 125.52 3ir5 h ALA 828 Ca 0.05 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 3ir5 h ALA 828 Cb 0.85 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3ir5 h ALA 828 CO 0.07 0.57 -0.17 0.82 0.00 0.00 0.00 179.25 180.54 3ir5 h ILE 829 N 0.48 1.31 -0.88 0.00 2.04 -1.26 -1.32 117.51 117.88 3ir5 h ILE 829 Ca 0.07 -1.30 0.02 0.00 1.00 0.00 0.00 64.86 64.65 3ir5 h ILE 829 Cb 0.68 1.63 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 3ir5 h ILE 829 CO 0.05 0.40 0.58 0.00 0.00 0.00 0.00 178.15 179.18 3ir5 h ALA 830 N 0.69 1.41 -0.37 1.87 0.00 -0.68 0.99 119.26 123.17 3ir5 h ALA 830 Ca 0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3ir5 h ALA 830 Cb 0.70 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3ir5 h ALA 830 CO 0.05 0.53 0.05 -0.22 0.00 0.00 0.00 179.25 179.66 3ir5 h LYS 831 N 1.15 0.62 -0.04 0.00 3.64 -0.57 -1.61 116.57 119.76 3ir5 h LYS 831 Ca 0.33 -0.17 -0.12 0.00 -1.27 0.00 0.00 60.65 59.42 3ir5 h LYS 831 Cb -0.07 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3ir5 h LYS 831 CO -0.08 0.69 -0.55 -0.22 -2.27 0.00 0.00 179.45 177.02 3ir5 h LYS 832 N 0.45 0.11 -0.52 1.90 1.63 -0.73 -3.01 116.57 116.40 3ir5 h LYS 832 Ca 0.11 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 59.80 3ir5 h LYS 832 Cb 0.38 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.99 3ir5 h LYS 832 CO 0.01 0.63 0.13 0.35 -3.45 0.00 0.00 179.45 177.11 3ir5 h PHE 833 N 0.08 0.87 0.00 1.91 3.57 -0.62 -0.97 116.94 121.79 3ir5 h PHE 833 Ca -0.00 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.37 3ir5 h PHE 833 Cb 0.99 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 3ir5 h PHE 833 CO 0.01 0.77 -0.11 0.77 -2.23 0.00 0.00 178.31 177.51 3ir5 h SER 834 N 0.72 0.00 0.00 0.41 0.02 -1.17 -1.15 113.55 112.39 3ir5 h SER 834 Ca 0.16 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3ir5 h SER 834 Cb 0.33 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 3ir5 h SER 834 CO 0.00 0.11 -0.01 -0.33 -1.14 0.00 0.00 176.83 175.46 3ir5 h GLU 835 N 0.00 0.00 -0.68 3.45 5.08 -1.42 -3.37 114.58 117.64 3ir5 h GLU 835 Ca -0.00 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 3ir5 h GLU 835 Cb 0.22 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 3ir5 h GLU 835 CO 0.01 0.06 0.47 0.28 -1.00 0.00 0.00 179.01 178.83 3ir5 h VAL 836 N -1.00 0.76 0.00 3.13 2.07 -1.13 -1.69 116.25 118.39 3ir5 h VAL 836 Ca -0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3ir5 h VAL 836 Cb 0.07 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3ir5 h VAL 836 CO -0.00 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.63 3ir5 s VAL 838 N -2.98 3.07 0.00 0.00 1.01 -0.64 -1.26 120.40 119.60 3ir5 s VAL 838 Ca 0.13 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.20 3ir5 s VAL 838 Cb 0.17 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.49 3ir5 s VAL 838 CO 0.47 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.16 3ir5 n GLY 839 N 4.73 1.94 0.05 4.51 0.00 -1.26 -4.86 105.19 110.30 3ir5 n GLY 839 Ca 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.17 3ir5 n GLY 839 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ir5 n HIS 840 N -1.63 0.00 -3.82 1.61 8.25 -0.39 -5.00 115.22 114.24 3ir5 n HIS 840 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 3ir5 n HIS 840 Cb 0.00 -0.47 -0.15 0.00 1.12 0.00 0.00 29.99 30.49 3ir5 n HIS 840 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3ir5 s LEU 841 N -5.14 1.33 0.00 2.41 1.43 -0.66 -4.96 118.68 113.09 3ir5 s LEU 841 Ca -0.10 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 3ir5 s LEU 841 Cb 0.03 -0.07 0.00 0.00 0.03 0.00 0.00 46.19 46.18 3ir5 s LEU 841 CO 0.34 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.44 3ir5 n GLY 842 N 3.88 2.73 3.46 -3.19 0.00 -1.26 -4.44 105.19 106.36 3ir5 n GLY 842 Ca -0.24 -0.29 -0.44 0.00 0.00 0.00 0.00 46.02 45.06 3ir5 n GLY 842 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ir5 s LYS 843 N 4.16 3.51 0.47 1.61 1.02 -1.26 -2.65 119.74 126.60 3ir5 s LYS 843 Ca 0.00 -1.58 -0.02 0.00 0.02 0.00 0.00 55.97 54.39 3ir5 s LYS 843 Cb 0.00 -4.82 -0.01 0.00 -0.52 0.00 0.00 37.83 32.48 3ir5 s LYS 843 CO 0.00 -1.80 0.72 -1.21 -0.92 0.00 0.00 175.35 172.14 3ir5 s GLU 844 N 3.01 3.14 -0.12 1.68 0.41 0.53 -4.90 118.70 122.45 3ir5 s GLU 844 Ca 0.31 -0.28 0.01 0.00 -0.41 0.00 0.00 54.97 54.60 3ir5 s GLU 844 Cb -0.07 -2.49 -0.01 0.00 -1.78 0.00 0.00 34.13 29.78 3ir5 s GLU 844 CO -0.06 -0.31 -0.14 0.99 -0.49 0.00 0.00 175.26 175.25 3ir5 s THR 845 N -2.65 2.96 -0.05 3.63 2.01 -1.26 -0.87 115.64 119.41 3ir5 s THR 845 Ca 0.48 -0.70 0.06 0.00 0.31 0.00 0.00 61.69 61.84 3ir5 s THR 845 Cb -0.10 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.18 3ir5 s THR 845 CO 0.40 0.54 -0.24 -0.62 -0.69 0.00 0.00 174.62 174.00 3ir5 s ASP 846 N 0.21 2.98 -0.27 3.53 -1.08 0.58 -4.34 116.67 118.29 3ir5 s ASP 846 Ca -0.09 -0.49 -0.13 0.00 -0.52 0.00 0.00 52.55 51.32 3ir5 s ASP 846 Cb -0.15 -0.75 -0.04 0.00 -1.46 0.00 0.00 42.92 40.51 3ir5 s ASP 846 CO 0.05 0.25 0.26 -0.63 0.52 0.00 0.00 175.17 175.62 3ir5 s ILE 847 N -0.21 5.26 -0.08 4.11 -1.09 -0.88 -0.84 121.20 127.47 3ir5 s ILE 847 Ca -0.02 0.34 0.04 0.00 -2.23 0.00 0.00 60.65 58.78 3ir5 s ILE 847 Cb -0.13 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.16 3ir5 s ILE 847 CO 0.03 0.23 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.06 3ir5 s VAL 848 N 1.78 1.83 0.04 2.92 1.01 0.35 -4.83 120.40 123.49 3ir5 s VAL 848 Ca 0.10 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 61.00 3ir5 s VAL 848 Cb -0.16 -1.59 -0.06 0.00 0.00 0.00 0.00 36.38 34.57 3ir5 s VAL 848 CO 0.10 0.51 0.54 0.42 0.00 0.00 0.00 175.10 176.67 3ir5 s THR 849 N 0.32 4.84 -0.13 3.92 -4.23 -1.26 0.13 115.64 119.23 3ir5 s THR 849 Ca -0.15 1.14 -0.01 0.00 -1.18 0.00 0.00 61.69 61.49 3ir5 s THR 849 Cb -0.17 -3.87 0.04 0.00 1.34 0.00 0.00 72.50 69.84 3ir5 s THR 849 CO 0.07 0.53 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.43 3ir5 s LEU 850 N -0.87 1.08 0.94 4.79 2.96 -0.57 -4.93 118.68 122.08 3ir5 s LEU 850 Ca 0.28 -0.40 -0.11 0.00 -0.22 0.00 0.00 54.13 53.68 3ir5 s LEU 850 Cb -0.19 -0.68 0.16 0.00 0.50 0.00 0.00 46.19 45.98 3ir5 s LEU 850 CO 0.17 -0.19 1.11 -2.16 -1.32 0.00 0.00 176.35 173.96 3ir5 s PRO 851 N 1.81 0.87 0.16 0.98 0.04 -1.26 -0.24 135.00 137.36 3ir5 s PRO 851 Ca 0.03 1.29 -0.31 0.00 0.04 0.00 0.00 61.00 62.05 3ir5 s PRO 851 Cb -0.14 -1.73 -0.11 0.00 0.04 0.00 0.00 34.50 32.57 3ir5 s PRO 851 CO -0.07 -2.65 1.73 0.42 0.04 0.00 0.00 177.00 176.47 3ir5 s ILE 852 N -2.68 2.39 -0.11 0.56 1.01 0.20 -4.71 121.20 117.86 3ir5 s ILE 852 Ca 0.66 0.15 -0.10 0.00 0.00 0.00 0.00 60.65 61.35 3ir5 s ILE 852 Cb -0.22 -3.09 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 3ir5 s ILE 852 CO 0.59 0.01 0.23 -1.10 0.00 0.00 0.00 174.94 174.66 3ir5 s GLN 853 N 1.83 3.79 0.59 2.79 -1.52 -1.26 -2.77 119.66 123.11 3ir5 s GLN 853 Ca 0.76 0.03 -0.18 0.00 -1.95 0.00 0.00 55.36 54.02 3ir5 s GLN 853 Cb -0.47 -3.27 -0.03 0.00 -0.22 0.00 0.00 33.01 29.03 3ir5 s GLN 853 CO 0.33 0.61 1.14 -1.58 -0.25 0.00 0.00 175.29 175.54 3ir5 s HIS 854 N -0.62 2.57 -1.30 0.91 5.65 0.64 -2.95 115.29 120.19 3ir5 s HIS 854 Ca 0.17 1.54 0.00 0.00 0.25 0.00 0.00 55.06 57.02 3ir5 s HIS 854 Cb -0.13 -3.30 0.00 0.00 -1.18 0.00 0.00 32.58 27.97 3ir5 s HIS 854 CO 0.06 -1.78 0.00 -0.25 -0.65 0.00 0.00 174.74 172.12 3ir5 n ASP 855 N -1.74 -4.41 -4.18 9.88 8.00 -1.26 -4.90 116.55 117.94 3ir5 n ASP 855 Ca 0.12 0.17 -0.15 0.00 0.71 0.00 0.00 54.79 55.64 3ir5 n ASP 855 Cb 0.51 -3.33 -0.11 0.00 -0.02 0.00 0.00 41.12 38.17 3ir5 n ASP 855 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3ir5 s SER 856 N -2.64 1.51 0.54 -2.24 1.04 -1.15 -2.82 113.70 107.94 3ir5 s SER 856 Ca 0.00 -0.82 0.23 0.00 0.48 0.00 0.00 55.95 55.84 3ir5 s SER 856 Cb 0.00 0.00 1.41 0.00 0.10 0.00 0.00 66.02 67.53 3ir5 s SER 856 CO 0.00 -0.26 2.05 0.00 0.98 0.00 0.00 173.24 176.02 3ir5 h ALA 857 N 3.52 2.24 0.00 5.32 0.00 -1.95 -1.06 119.26 127.33 3ir5 h ALA 857 Ca -0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3ir5 h ALA 857 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3ir5 h ALA 857 CO 0.53 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.37 3ir5 n ALA 858 N -2.56 1.39 0.31 0.00 0.00 -1.26 -2.55 120.51 115.84 3ir5 n ALA 858 Ca 0.05 0.02 0.21 0.00 0.00 0.00 0.00 53.44 53.72 3ir5 n ALA 858 Cb 0.42 -1.20 1.13 0.00 0.00 0.00 0.00 19.45 19.79 3ir5 n ALA 858 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3ir5 h GLU 859 N 0.00 0.00 -2.95 0.00 4.11 -1.28 -2.99 114.58 111.48 3ir5 h GLU 859 Ca 0.00 0.00 -0.73 0.00 0.07 0.00 0.00 59.36 58.70 3ir5 h GLU 859 Cb 0.16 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.32 3ir5 h GLU 859 CO 0.00 0.00 2.70 1.28 0.07 0.00 0.00 179.01 183.06 3ir5 n LEU 860 N -2.97 7.88 0.00 3.06 4.32 -1.06 -1.90 117.00 126.34 3ir5 n LEU 860 Ca -0.03 -4.69 0.00 0.00 -0.02 0.00 0.00 56.01 51.28 3ir5 n LEU 860 Cb 0.07 -1.44 0.00 0.00 -1.62 0.00 0.00 43.42 40.43 3ir5 n LEU 860 CO 0.19 1.88 0.00 0.00 -1.22 0.00 0.00 177.39 178.24 3ir5 n ALA 861 N 2.79 0.00 -3.63 -1.18 0.00 -1.13 -4.83 120.51 112.53 3ir5 n ALA 861 Ca 0.61 -0.01 -0.39 0.00 0.00 0.00 0.00 53.44 53.65 3ir5 n ALA 861 Cb 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.64 3ir5 n ALA 861 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ir5 s GLN 862 N -0.18 2.79 0.27 0.00 -0.21 -1.07 -4.95 119.66 116.30 3ir5 s GLN 862 Ca 0.00 -2.48 -0.02 0.00 0.02 0.00 0.00 55.36 52.87 3ir5 s GLN 862 Cb 0.00 -3.89 0.40 0.00 1.00 0.00 0.00 33.01 30.52 3ir5 s GLN 862 CO 0.00 -1.20 1.89 -1.00 -2.12 0.00 0.00 175.29 172.86 3ir5 h PRO 863 N 7.26 1.15 0.00 2.91 0.13 -1.87 -3.38 132.00 138.20 3ir5 h PRO 863 Ca 0.00 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3ir5 h PRO 863 Cb 0.98 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3ir5 h PRO 863 CO 0.73 0.76 -1.13 1.28 -0.23 0.00 0.00 178.00 179.41 3ir5 n LEU 864 N -4.48 0.01 0.00 1.56 7.99 -1.26 -5.00 117.00 115.81 3ir5 n LEU 864 Ca 0.15 -0.02 -0.02 0.00 -0.01 0.00 0.00 56.01 56.11 3ir5 n LEU 864 Cb 0.16 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.48 3ir5 n LEU 864 CO 0.33 0.00 0.15 -0.90 -1.51 0.00 0.00 177.39 175.46 3ir5 n ASP 865 N -1.61 -0.49 -4.27 -1.43 5.75 -1.26 -4.88 116.55 108.37 3ir5 n ASP 865 Ca -0.01 -1.31 -0.35 0.00 -0.01 0.00 0.00 54.79 53.11 3ir5 n ASP 865 Cb 0.09 0.81 -0.14 0.00 -1.03 0.00 0.00 41.12 40.85 3ir5 n ASP 865 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3ir5 s VAL 866 N -2.65 3.35 -0.20 2.12 1.01 -1.26 -4.83 120.40 117.94 3ir5 s VAL 866 Ca 0.04 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 3ir5 s VAL 866 Cb -0.01 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.72 3ir5 s VAL 866 CO 0.02 0.22 -0.13 -0.54 0.00 0.00 0.00 175.10 174.67 3ir5 s LYS 867 N 1.42 3.12 -0.37 2.72 1.02 -1.26 -5.09 119.74 121.30 3ir5 s LYS 867 Ca 0.02 -0.77 -0.18 0.00 0.02 0.00 0.00 55.97 55.07 3ir5 s LYS 867 Cb -0.16 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.38 3ir5 s LYS 867 CO -0.02 -0.22 0.51 0.34 -0.92 0.00 0.00 175.35 175.04 3ir5 s ASP 868 N 1.36 6.29 0.37 2.83 -1.08 -1.26 -4.83 116.67 120.35 3ir5 s ASP 868 Ca 0.05 -0.17 0.04 0.00 -0.52 0.00 0.00 52.55 51.95 3ir5 s ASP 868 Cb -0.14 -2.26 0.70 0.00 -1.46 0.00 0.00 42.92 39.76 3ir5 s ASP 868 CO -0.09 -0.52 2.00 4.11 0.52 0.00 0.00 175.17 181.19 3ir5 h TRP 869 N 8.55 0.67 0.00 -5.34 5.08 -1.82 -1.63 115.95 121.46 3ir5 h TRP 869 Ca -0.27 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.68 3ir5 h TRP 869 Cb 1.12 -0.22 -0.00 0.00 -3.00 0.00 0.00 29.16 27.06 3ir5 h TRP 869 CO 0.71 0.45 -0.06 -0.22 -1.28 0.00 0.00 178.44 178.04 3ir5 h LYS 870 N 0.71 0.00 -0.56 0.12 3.64 -1.93 0.51 116.57 119.06 3ir5 h LYS 870 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3ir5 h LYS 870 Cb -0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3ir5 h LYS 870 CO -0.03 0.06 0.00 1.63 -2.27 0.00 0.00 179.45 178.84 3ir5 n LYS 871 N -3.57 2.57 -1.36 1.90 5.02 -0.65 -4.91 118.16 117.16 3ir5 n LYS 871 Ca -0.02 -1.81 -0.13 0.00 -2.02 0.00 0.00 58.31 54.34 3ir5 n LYS 871 Cb 0.18 -1.58 -0.05 0.00 -0.02 0.00 0.00 35.03 33.56 3ir5 n LYS 871 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ir5 n GLY 872 N 0.96 1.21 0.00 0.72 0.00 0.18 -4.83 105.19 103.43 3ir5 n GLY 872 Ca 0.16 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.25 3ir5 n GLY 872 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ir5 n GLU 873 N -1.21 0.17 -3.64 1.61 1.02 -0.98 -4.84 120.64 112.77 3ir5 n GLU 873 Ca -0.13 0.13 -0.01 0.00 -0.02 0.00 0.00 57.16 57.14 3ir5 n GLU 873 Cb 0.59 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.50 3ir5 n GLU 873 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ir5 s ASP 875 N -2.86 5.23 -0.62 0.00 2.15 -1.26 -4.37 116.67 114.95 3ir5 s ASP 875 Ca 0.13 1.36 -0.23 0.00 0.43 0.00 0.00 52.55 54.23 3ir5 s ASP 875 Cb 0.03 -2.19 0.06 0.00 -0.30 0.00 0.00 42.92 40.51 3ir5 s ASP 875 CO -0.03 -1.50 0.96 -0.22 -0.17 0.00 0.00 175.17 174.21 3ir5 s LEU 876 N -5.52 4.21 -0.49 -1.34 0.20 -1.26 -4.77 118.68 109.70 3ir5 s LEU 876 Ca 0.58 -0.70 -0.01 0.00 0.69 0.00 0.00 54.13 54.70 3ir5 s LEU 876 Cb -0.13 -2.59 0.13 0.00 -0.43 0.00 0.00 46.19 43.17 3ir5 s LEU 876 CO 0.54 -1.36 0.28 -0.63 -0.29 0.00 0.00 176.35 174.88 3ir5 s ILE 877 N 4.08 3.20 0.12 6.68 1.01 -1.26 -5.02 121.20 130.01 3ir5 s ILE 877 Ca 0.26 -2.62 -0.35 0.00 0.00 0.00 0.00 60.65 57.95 3ir5 s ILE 877 Cb -0.15 -3.17 -0.14 0.00 0.01 0.00 0.00 42.46 39.01 3ir5 s ILE 877 CO 0.14 -0.76 1.54 -0.81 0.00 0.00 0.00 174.94 175.05 3ir5 n PRO 878 N 3.92 1.90 -0.24 2.79 -0.04 -1.26 -0.93 135.00 141.14 3ir5 n PRO 878 Ca 0.03 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 3ir5 n PRO 878 Cb 0.39 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 3ir5 n PRO 878 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ir5 n GLY 879 N 3.27 0.64 2.01 0.55 0.00 0.19 -4.73 105.19 107.13 3ir5 n GLY 879 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3ir5 n GLY 879 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ir5 n LYS 880 N -2.02 0.00 -0.22 1.61 4.81 -0.11 -4.85 118.16 117.38 3ir5 n LYS 880 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.52 3ir5 n LYS 880 Cb 0.00 0.00 0.17 0.00 0.02 0.00 0.00 35.03 35.22 3ir5 n LYS 880 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3ir5 n THR 881 N -3.24 1.88 -3.63 3.15 -2.24 -0.45 -4.50 114.28 105.25 3ir5 n THR 881 Ca 0.00 -1.88 -0.03 0.00 -2.27 0.00 0.00 64.05 59.87 3ir5 n THR 881 Cb 0.00 -0.10 -0.01 0.00 -2.10 0.00 0.00 70.33 68.11 3ir5 n THR 881 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ir5 s ALA 882 N -2.50 -1.97 0.83 6.98 0.00 -1.12 -4.41 121.76 119.57 3ir5 s ALA 882 Ca 0.32 0.82 -0.11 0.00 0.00 0.00 0.00 51.96 52.99 3ir5 s ALA 882 Cb 0.26 0.33 0.09 0.00 0.00 0.00 0.00 23.12 23.81 3ir5 s ALA 882 CO 0.06 -0.88 1.10 -1.25 0.00 0.00 0.00 175.76 174.79 3ir5 s PRO 883 N -2.78 1.74 0.54 0.00 0.04 -1.26 0.55 135.00 133.84 3ir5 s PRO 883 Ca 0.11 1.13 -0.19 0.00 0.04 0.00 0.00 61.00 62.08 3ir5 s PRO 883 Cb 0.01 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.65 3ir5 s PRO 883 CO -0.03 -1.99 1.12 -1.01 0.04 0.00 0.00 177.00 175.12 3ir5 s HIS 884 N -2.86 2.69 -0.35 0.56 3.76 0.67 -2.97 115.29 116.79 3ir5 s HIS 884 Ca 0.63 1.55 0.01 0.00 -0.15 0.00 0.00 55.06 57.09 3ir5 s HIS 884 Cb -0.18 -3.27 0.09 0.00 1.11 0.00 0.00 32.58 30.33 3ir5 s HIS 884 CO 0.57 -1.53 0.08 0.42 -0.85 0.00 0.00 174.74 173.42 3ir5 s ILE 885 N -1.81 2.73 0.23 0.60 1.01 -1.26 -1.51 121.20 121.18 3ir5 s ILE 885 Ca 0.72 -2.01 -0.03 0.00 0.00 0.00 0.00 60.65 59.33 3ir5 s ILE 885 Cb -0.23 -2.84 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 3ir5 s ILE 885 CO 0.27 -0.49 0.46 -0.04 0.00 0.00 0.00 174.94 175.14 3ir5 s MET 886 N 1.06 3.57 -0.20 2.79 -1.94 0.12 -4.89 119.30 119.82 3ir5 s MET 886 Ca 0.05 -0.18 -0.04 0.00 -1.71 0.00 0.00 55.69 53.81 3ir5 s MET 886 Cb -0.21 -2.76 -0.02 0.00 2.01 0.00 0.00 34.83 33.86 3ir5 s MET 886 CO -0.05 0.33 -0.04 0.08 -0.01 0.00 0.00 175.02 175.33 3ir5 s VAL 887 N -1.94 3.55 -0.08 -6.03 1.01 -1.26 -0.50 120.40 115.14 3ir5 s VAL 887 Ca 0.41 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.95 3ir5 s VAL 887 Cb -0.11 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.70 3ir5 s VAL 887 CO 0.29 0.44 -0.09 -0.69 0.00 0.00 0.00 175.10 175.05 3ir5 s VAL 888 N 1.15 1.01 -0.04 2.92 1.01 -0.02 -4.92 120.40 121.50 3ir5 s VAL 888 Ca 0.02 -0.34 -0.22 0.00 0.00 0.00 0.00 61.98 61.44 3ir5 s VAL 888 Cb -0.15 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3ir5 s VAL 888 CO -0.00 0.34 0.64 -1.61 0.00 0.00 0.00 175.10 174.47 3ir5 s GLU 889 N 1.18 4.39 -0.08 2.72 0.41 -1.26 -0.31 118.70 125.75 3ir5 s GLU 889 Ca -0.05 0.79 0.04 0.00 -0.41 0.00 0.00 54.97 55.33 3ir5 s GLU 889 Cb -0.14 -3.40 0.00 0.00 -1.78 0.00 0.00 34.13 28.80 3ir5 s GLU 889 CO -0.02 0.20 -0.21 1.03 -0.49 0.00 0.00 175.26 175.76 3ir5 s ARG 890 N 0.38 2.56 -0.88 1.61 0.52 -0.05 -4.98 118.95 118.11 3ir5 s ARG 890 Ca 0.34 -0.76 -0.03 0.00 -0.52 0.00 0.00 55.73 54.75 3ir5 s ARG 890 Cb -0.18 -2.02 0.22 0.00 0.52 0.00 0.00 34.95 33.49 3ir5 s ARG 890 CO 0.17 0.19 0.77 0.34 0.02 0.00 0.00 175.30 176.80 3ir5 s ASP 891 N 0.28 6.08 0.27 0.23 -1.08 -1.26 -0.35 116.67 120.84 3ir5 s ASP 891 Ca -0.14 -3.56 -0.01 0.00 -0.52 0.00 0.00 52.55 48.32 3ir5 s ASP 891 Cb -0.16 -1.95 0.46 0.00 -1.46 0.00 0.00 42.92 39.81 3ir5 s ASP 891 CO 0.06 -0.23 1.86 1.88 0.52 0.00 0.00 175.17 179.27 3ir5 h TYR 892 N 6.28 1.18 0.00 -5.34 0.05 -1.80 -0.89 116.97 116.45 3ir5 h TYR 892 Ca 0.14 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.94 3ir5 h TYR 892 Cb 0.85 -0.38 -0.00 0.00 1.01 0.00 0.00 36.73 38.20 3ir5 h TYR 892 CO 0.74 0.56 -0.06 -1.35 -1.05 0.00 0.00 178.16 177.00 3ir5 h PRO 893 N 1.11 0.00 -0.67 4.88 0.11 -1.78 -2.55 132.00 133.10 3ir5 h PRO 893 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 3ir5 h PRO 893 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 3ir5 h PRO 893 CO -0.21 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 177.64 3ir5 n ALA 894 N -2.17 2.74 -0.10 -0.75 0.00 -0.36 -4.61 120.51 115.27 3ir5 n ALA 894 Ca -0.01 -1.35 -0.06 0.00 0.00 0.00 0.00 53.44 52.02 3ir5 n ALA 894 Cb 0.24 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.70 3ir5 n ALA 894 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3ir5 h THR 895 N 3.95 0.55 -0.17 0.00 2.02 -1.22 -1.06 112.91 116.98 3ir5 h THR 895 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3ir5 h THR 895 Cb 1.16 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3ir5 h THR 895 CO 0.12 0.00 0.10 0.22 0.37 0.00 0.00 175.52 176.33 3ir5 h TYR 896 N -0.07 0.19 -0.83 3.16 3.20 -1.82 0.18 116.97 120.99 3ir5 h TYR 896 Ca 0.18 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.07 3ir5 h TYR 896 Cb 0.34 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 3ir5 h TYR 896 CO -0.36 0.12 0.55 0.93 -1.64 0.00 0.00 178.16 177.75 3ir5 h GLU 897 N 0.21 1.04 -0.30 1.82 4.39 -1.79 -0.11 114.58 119.85 3ir5 h GLU 897 Ca 0.06 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 3ir5 h GLU 897 Cb -0.02 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.39 3ir5 h GLU 897 CO -0.02 0.69 -0.37 0.00 -1.16 0.00 0.00 179.01 178.15 3ir5 h ARG 898 N 1.07 0.77 -0.55 2.33 3.08 -0.82 -3.11 114.38 117.16 3ir5 h ARG 898 Ca 0.32 -0.44 0.05 0.00 0.07 0.00 0.00 59.98 59.98 3ir5 h ARG 898 Cb -0.05 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 3ir5 h ARG 898 CO -0.08 1.07 0.28 0.35 -1.07 0.00 0.00 179.97 180.51 3ir5 h PHE 899 N 0.53 0.51 -0.48 3.04 3.57 0.07 -2.75 116.94 121.44 3ir5 h PHE 899 Ca 0.04 0.02 -0.25 0.00 3.53 0.00 0.00 57.97 61.31 3ir5 h PHE 899 Cb 0.96 -0.15 -0.15 0.00 2.79 0.00 0.00 35.95 39.40 3ir5 h PHE 899 CO 0.07 0.24 0.31 0.25 -2.23 0.00 0.00 178.31 176.96 3ir5 n THR 900 N -4.87 2.06 -3.52 4.41 -2.24 -0.12 -4.79 114.28 105.21 3ir5 n THR 900 Ca 0.06 -0.93 -0.18 0.00 -2.27 0.00 0.00 64.05 60.73 3ir5 n THR 900 Cb 0.15 -0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 67.59 3ir5 n THR 900 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ir5 s SER 901 N -0.12 -0.65 -0.44 3.42 1.04 -1.04 -0.86 113.70 115.05 3ir5 s SER 901 Ca 0.28 0.68 -0.26 0.00 0.48 0.00 0.00 55.95 57.13 3ir5 s SER 901 Cb 0.23 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.91 3ir5 s SER 901 CO 0.05 -0.62 0.94 -0.63 0.98 0.00 0.00 173.24 173.97 3ir5 s ILE 902 N -1.29 4.48 1.10 -1.02 1.01 -0.75 -4.83 121.20 119.90 3ir5 s ILE 902 Ca -0.10 0.90 -0.18 0.00 0.00 0.00 0.00 60.65 61.27 3ir5 s ILE 902 Cb -0.00 -4.42 0.10 0.00 0.01 0.00 0.00 42.46 38.15 3ir5 s ILE 902 CO 0.09 -0.77 0.08 0.61 0.00 0.00 0.00 174.94 174.94 3ir5 n GLY 903 N 4.78 -2.42 0.21 6.18 0.00 -1.24 -4.33 105.19 108.36 3ir5 n GLY 903 Ca 0.07 -0.79 0.14 0.00 0.00 0.00 0.00 46.02 45.44 3ir5 n GLY 903 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ir5 h PRO 904 N -2.00 0.00 0.00 1.61 0.13 -1.82 -3.33 132.00 126.59 3ir5 h PRO 904 Ca -0.52 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.60 3ir5 h PRO 904 Cb 1.35 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.48 3ir5 h PRO 904 CO 0.38 0.00 -0.01 -0.07 -0.23 0.00 0.00 178.00 178.07 3ir5 h LEU 905 N 0.00 0.00 -1.17 1.56 3.38 -1.44 0.13 115.31 117.77 3ir5 h LEU 905 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3ir5 h LEU 905 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3ir5 h LEU 905 CO 0.00 0.01 -0.41 0.24 0.09 0.00 0.00 178.44 178.37 3ir5 h MET 906 N 0.00 0.00 0.08 1.13 2.86 -1.72 0.25 114.93 117.53 3ir5 h MET 906 Ca -0.00 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.34 3ir5 h MET 906 Cb 0.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 3ir5 h MET 906 CO 0.00 0.41 -1.63 0.93 1.06 0.00 0.00 176.91 177.69 3ir5 h GLU 907 N 0.00 0.18 -0.46 1.72 5.08 -1.35 -2.63 114.58 117.12 3ir5 h GLU 907 Ca -0.00 -0.30 -0.13 0.00 -1.00 0.00 0.00 59.36 57.92 3ir5 h GLU 907 Cb 0.74 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3ir5 h GLU 907 CO 0.05 1.14 -0.24 -0.22 -1.00 0.00 0.00 179.01 178.75 3ir5 h LYS 908 N -0.36 0.96 0.00 2.33 3.64 -0.81 -3.38 116.57 118.94 3ir5 h LYS 908 Ca -0.37 -0.42 -0.16 0.00 -1.27 0.00 0.00 60.65 58.43 3ir5 h LYS 908 Cb 1.74 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.50 3ir5 h LYS 908 CO -0.02 1.08 -1.60 -0.89 -2.27 0.00 0.00 179.45 175.75 3ir5 n ILE 909 N -4.10 0.61 0.00 2.00 5.41 0.02 -5.06 119.36 118.23 3ir5 n ILE 909 Ca -0.00 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.46 3ir5 n ILE 909 Cb 0.47 -0.84 0.00 0.00 -0.71 0.00 0.00 39.64 38.56 3ir5 n ILE 909 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ir5 n GLY 910 N 2.79 -0.75 3.20 7.39 0.00 -0.84 -4.95 105.19 112.02 3ir5 n GLY 910 Ca -0.17 -2.15 -0.12 0.00 0.00 0.00 0.00 46.02 43.58 3ir5 n GLY 910 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ir5 s ASN 911 N -4.00 0.39 0.00 1.61 2.47 -0.99 -4.40 114.94 110.02 3ir5 s ASN 911 Ca 0.00 -1.33 0.00 0.00 0.42 0.00 0.00 52.86 51.95 3ir5 s ASN 911 Cb 0.00 0.31 0.00 0.00 -1.45 0.00 0.00 41.25 40.11 3ir5 s ASN 911 CO 0.00 -0.78 0.00 0.61 -3.72 0.00 0.00 177.10 173.21 3ir5 n GLY 912 N -0.24 -2.15 0.00 1.21 0.00 -1.26 -1.17 105.19 101.57 3ir5 n GLY 912 Ca -0.01 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3ir5 n GLY 912 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ir5 n GLY 913 N -0.52 1.49 3.62 -0.02 0.00 -0.45 -4.86 105.19 104.44 3ir5 n GLY 913 Ca 0.00 -0.76 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 3ir5 n GLY 913 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ir5 n LYS 914 N -0.37 -7.01 -0.29 1.61 4.81 -1.26 -2.69 118.16 112.96 3ir5 n LYS 914 Ca 0.00 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 3ir5 n LYS 914 Cb 0.00 -5.76 0.00 0.00 0.02 0.00 0.00 35.03 29.29 3ir5 n LYS 914 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ir5 n GLY 915 N -1.72 2.29 3.48 3.14 0.00 -1.13 -5.01 105.19 106.25 3ir5 n GLY 915 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 3ir5 n GLY 915 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ir5 s ILE 916 N -3.25 2.47 0.06 -0.61 -4.36 -1.09 -5.01 121.20 109.40 3ir5 s ILE 916 Ca 0.00 -2.38 -0.08 0.00 -0.26 0.00 0.00 60.65 57.93 3ir5 s ILE 916 Cb 0.00 -2.34 -0.00 0.00 1.25 0.00 0.00 42.46 41.37 3ir5 s ILE 916 CO 0.00 -0.38 0.17 0.00 0.24 0.00 0.00 174.94 174.97 3ir5 s ALA 917 N -2.52 -0.21 0.25 2.27 0.00 -1.26 -1.35 121.76 118.94 3ir5 s ALA 917 Ca 0.30 -0.51 -0.12 0.00 0.00 0.00 0.00 51.96 51.63 3ir5 s ALA 917 Cb -0.04 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 3ir5 s ALA 917 CO 0.15 -0.42 0.46 1.67 0.00 0.00 0.00 175.76 177.63 3ir5 s TRP 918 N -3.18 0.43 0.00 0.00 -2.14 -0.31 -4.79 118.94 108.95 3ir5 s TRP 918 Ca -0.00 -0.78 -0.21 0.00 2.66 0.00 0.00 56.10 57.76 3ir5 s TRP 918 Cb 0.02 0.15 -0.05 0.00 -3.10 0.00 0.00 33.47 30.48 3ir5 s TRP 918 CO -0.07 -0.99 0.61 1.21 -2.66 0.00 0.00 176.95 175.05 3ir5 s ASN 919 N -3.04 7.00 -0.16 -2.66 3.84 -1.26 -2.35 114.94 116.31 3ir5 s ASN 919 Ca 0.24 1.19 0.16 0.00 0.21 0.00 0.00 52.86 54.66 3ir5 s ASN 919 Cb -0.00 -2.38 0.43 0.00 -0.55 0.00 0.00 41.25 38.76 3ir5 s ASN 919 CO 0.10 0.09 1.19 1.07 -2.79 0.00 0.00 177.10 176.76 3ir5 n THR 920 N 2.74 1.50 -0.07 -5.21 5.66 -1.26 -4.83 114.28 112.80 3ir5 n THR 920 Ca -0.06 -2.66 -0.10 0.00 -3.05 0.00 0.00 64.05 58.18 3ir5 n THR 920 Cb 0.51 0.15 -0.03 0.00 -1.55 0.00 0.00 70.33 69.41 3ir5 n THR 920 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 3ir5 h GLN 921 N 1.27 0.36 -0.89 1.09 5.75 -1.91 -2.66 115.11 118.12 3ir5 h GLN 921 Ca -0.04 -0.05 0.14 0.00 -0.15 0.00 0.00 58.65 58.55 3ir5 h GLN 921 Cb 1.36 -0.07 -0.09 0.00 1.07 0.00 0.00 27.48 29.75 3ir5 h GLN 921 CO 0.14 0.34 0.50 0.66 -2.65 0.00 0.00 178.83 177.82 3ir5 h SER 922 N 0.30 0.67 -0.61 -0.69 4.64 -2.00 -0.61 113.55 115.25 3ir5 h SER 922 Ca 0.09 0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.46 3ir5 h SER 922 Cb 0.08 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 3ir5 h SER 922 CO -0.01 0.31 0.27 -0.33 -0.87 0.00 0.00 176.83 176.20 3ir5 h GLU 923 N 0.75 0.90 -0.44 4.77 3.07 -1.84 -1.56 114.58 120.24 3ir5 h GLU 923 Ca 0.47 -0.15 -0.06 0.00 -0.50 0.00 0.00 59.36 59.12 3ir5 h GLU 923 Cb 0.59 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 3ir5 h GLU 923 CO -0.32 0.75 0.01 0.52 -1.40 0.00 0.00 179.01 178.57 3ir5 h MET 924 N 0.85 0.70 -0.58 2.33 2.86 -0.87 0.37 114.93 120.59 3ir5 h MET 924 Ca 0.21 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3ir5 h MET 924 Cb 0.16 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 3ir5 h MET 924 CO -0.02 0.71 0.19 -0.44 1.06 0.00 0.00 176.91 178.41 3ir5 h ASP 925 N 0.66 0.83 -0.53 1.22 3.32 -0.75 -1.27 116.42 119.90 3ir5 h ASP 925 Ca 0.14 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3ir5 h ASP 925 Cb 0.40 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3ir5 h ASP 925 CO 0.01 0.81 0.28 0.25 -1.72 0.00 0.00 179.24 178.88 3ir5 h LEU 926 N 0.81 0.67 -1.38 1.55 6.46 -0.70 -2.73 115.31 119.99 3ir5 h LEU 926 Ca 0.19 -0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 57.81 3ir5 h LEU 926 Cb 0.27 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 3ir5 h LEU 926 CO -0.01 0.57 0.04 -0.07 -0.62 0.00 0.00 178.44 178.36 3ir5 h LEU 927 N 0.71 0.42 -1.77 2.25 3.38 -0.58 -1.72 115.31 118.00 3ir5 h LEU 927 Ca 0.19 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3ir5 h LEU 927 Cb 0.06 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3ir5 h LEU 927 CO -0.03 0.46 -0.04 0.03 0.09 0.00 0.00 178.44 178.95 3ir5 h ARG 928 N 0.45 0.09 0.00 1.13 3.08 -0.92 -0.70 114.38 117.52 3ir5 h ARG 928 Ca 0.10 -0.01 -0.24 0.00 0.07 0.00 0.00 59.98 59.90 3ir5 h ARG 928 Cb 0.23 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 3ir5 h ARG 928 CO 0.00 0.15 -1.27 0.87 -1.07 0.00 0.00 179.97 178.64 3ir5 h LYS 929 N 0.09 0.00 0.10 0.04 1.57 -1.31 -2.08 116.57 115.00 3ir5 h LYS 929 Ca 0.02 -0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.51 3ir5 h LYS 929 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3ir5 h LYS 929 CO 0.01 0.81 -1.42 -0.07 -0.57 0.00 0.00 179.45 178.20 3ir5 h LEU 930 N 0.00 0.34 -0.42 2.94 3.38 -1.02 -3.37 115.31 117.17 3ir5 h LEU 930 Ca -0.12 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.41 3ir5 h LEU 930 Cb 1.87 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.50 3ir5 h LEU 930 CO 0.11 1.36 -0.57 0.59 0.09 0.00 0.00 178.44 180.02 3ir5 n ASN 931 N -3.44 1.19 -0.63 -0.43 4.13 -0.30 -5.05 115.26 110.72 3ir5 n ASN 931 Ca -0.13 -1.09 0.08 0.00 1.68 0.00 0.00 54.58 55.12 3ir5 n ASN 931 Cb 1.03 0.75 -0.03 0.00 -1.54 0.00 0.00 39.78 39.99 3ir5 n ASN 931 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3ir5 n TYR 932 N -0.79 -1.65 -4.41 3.10 4.01 -0.78 -4.08 117.16 112.57 3ir5 n TYR 932 Ca 0.05 0.86 -0.21 0.00 -0.16 0.00 0.00 57.90 58.44 3ir5 n TYR 932 Cb 0.30 -1.50 -0.10 0.00 -0.31 0.00 0.00 39.34 37.73 3ir5 n TYR 932 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3ir5 s THR 933 N -2.48 1.87 0.19 -0.72 -4.23 -1.26 -1.40 115.64 107.61 3ir5 s THR 933 Ca 0.00 -2.22 -0.32 0.00 -1.18 0.00 0.00 61.69 57.98 3ir5 s THR 933 Cb 0.00 -2.27 -0.11 0.00 1.34 0.00 0.00 72.50 71.47 3ir5 s THR 933 CO 0.00 -0.43 1.60 -0.54 -0.54 0.00 0.00 174.62 174.71 3ir5 s LYS 934 N -3.65 4.19 0.20 3.99 -0.14 -0.82 -4.86 119.74 118.65 3ir5 s LYS 934 Ca 0.27 2.43 0.11 0.00 -1.36 0.00 0.00 55.97 57.42 3ir5 s LYS 934 Cb 0.00 -3.13 0.00 0.00 -1.68 0.00 0.00 37.83 33.03 3ir5 s LYS 934 CO 0.11 -0.64 1.40 0.00 -0.76 0.00 0.00 175.35 175.46 3ir5 h ALA 935 N 6.63 0.56 -2.28 5.17 0.00 -1.93 -1.35 119.26 126.06 3ir5 h ALA 935 Ca -0.43 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 53.78 3ir5 h ALA 935 Cb 1.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3ir5 h ALA 935 CO 0.91 0.96 0.12 -0.85 0.00 0.00 0.00 179.25 180.39 3ir5 n GLU 936 N -3.38 0.38 0.00 0.00 0.28 -1.26 -4.84 120.64 111.82 3ir5 n GLU 936 Ca 0.00 -0.75 0.00 0.00 -0.16 0.00 0.00 57.16 56.25 3ir5 n GLU 936 Cb 0.81 0.95 0.00 0.00 1.43 0.00 0.00 31.44 34.63 3ir5 n GLU 936 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3ir5 n GLY 937 N -0.20 -2.34 0.40 -1.84 0.00 -1.26 -3.74 105.19 96.21 3ir5 n GLY 937 Ca -0.03 -1.63 0.19 0.00 0.00 0.00 0.00 46.02 44.56 3ir5 n GLY 937 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ir5 h PRO 938 N 0.00 0.39 -0.54 1.61 0.11 -1.98 -1.98 132.00 129.61 3ir5 h PRO 938 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3ir5 h PRO 938 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 3ir5 h PRO 938 CO 0.00 0.26 0.00 0.00 -0.21 0.00 0.00 178.00 178.05 3ir5 n ALA 939 N -2.52 3.16 -1.57 -0.75 0.00 -1.26 -5.02 120.51 112.55 3ir5 n ALA 939 Ca 0.19 -1.75 -0.59 0.00 0.00 0.00 0.00 53.44 51.29 3ir5 n ALA 939 Cb 0.71 -0.93 -0.08 0.00 0.00 0.00 0.00 19.45 19.14 3ir5 n ALA 939 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3ir5 n LYS 940 N 0.70 0.29 0.00 0.00 4.81 -0.75 -1.26 118.16 121.95 3ir5 n LYS 940 Ca 0.24 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 3ir5 n LYS 940 Cb 0.92 -1.64 0.00 0.00 0.02 0.00 0.00 35.03 34.32 3ir5 n LYS 940 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ir5 n GLY 941 N 2.30 1.74 3.88 3.14 0.00 -0.51 -4.93 105.19 110.81 3ir5 n GLY 941 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 3ir5 n GLY 941 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ir5 s GLN 942 N -0.54 3.73 0.86 1.61 -1.52 -0.39 -4.75 119.66 118.66 3ir5 s GLN 942 Ca 0.00 0.32 -0.12 0.00 -1.95 0.00 0.00 55.36 53.61 3ir5 s GLN 942 Cb 0.00 -2.46 0.11 0.00 -0.22 0.00 0.00 33.01 30.43 3ir5 s GLN 942 CO 0.00 0.03 1.14 -2.30 -0.25 0.00 0.00 175.29 173.91 3ir5 n PRO 943 N -1.24 -0.12 -3.61 2.91 -0.02 -1.26 -1.95 135.00 129.71 3ir5 n PRO 943 Ca 0.01 0.04 -0.29 0.00 -2.02 0.00 0.00 63.50 61.24 3ir5 n PRO 943 Cb 0.54 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 3ir5 n PRO 943 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3ir5 s MET 944 N -4.30 3.58 -0.44 -0.52 -1.94 -0.50 -1.80 119.30 113.38 3ir5 s MET 944 Ca 0.70 -0.18 0.08 0.00 -1.71 0.00 0.00 55.69 54.58 3ir5 s MET 944 Cb -0.26 -2.80 0.28 0.00 2.01 0.00 0.00 34.83 34.06 3ir5 s MET 944 CO 0.55 0.38 0.63 1.28 -0.01 0.00 0.00 175.02 177.85 3ir5 n LEU 945 N -0.51 1.19 -0.08 -0.03 4.77 -0.04 -4.75 117.00 117.56 3ir5 n LEU 945 Ca -0.03 -4.95 -0.22 0.00 -0.03 0.00 0.00 56.01 50.77 3ir5 n LEU 945 Cb 0.53 0.37 -0.12 0.00 -2.33 0.00 0.00 43.42 41.87 3ir5 n LEU 945 CO 0.48 2.14 -0.67 0.59 -1.33 0.00 0.00 177.39 178.60 3ir5 n ASN 946 N 0.95 1.94 -4.87 -1.43 3.02 -1.26 -4.24 115.26 109.37 3ir5 n ASN 946 Ca 0.24 0.35 -0.21 0.00 -0.03 0.00 0.00 54.58 54.93 3ir5 n ASN 946 Cb 0.53 -0.92 -0.03 0.00 -0.61 0.00 0.00 39.78 38.75 3ir5 n ASN 946 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3ir5 s THR 947 N -2.43 4.11 0.44 3.41 -4.23 -1.26 -4.99 115.64 110.69 3ir5 s THR 947 Ca -0.28 -1.30 0.17 0.00 -1.18 0.00 0.00 61.69 59.10 3ir5 s THR 947 Cb 0.07 -3.36 0.20 0.00 1.34 0.00 0.00 72.50 70.74 3ir5 s THR 947 CO 0.63 -0.25 2.00 0.00 -0.54 0.00 0.00 174.62 176.46 3ir5 h ALA 948 N 1.29 1.58 -0.35 3.99 0.00 -1.94 -2.33 119.26 121.51 3ir5 h ALA 948 Ca -0.47 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.18 3ir5 h ALA 948 Cb 1.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3ir5 h ALA 948 CO 0.59 0.23 -0.15 0.82 0.00 0.00 0.00 179.25 180.74 3ir5 h ILE 949 N 0.00 1.28 -0.92 0.00 2.04 -1.95 0.60 117.51 118.56 3ir5 h ILE 949 Ca -0.00 -1.25 0.02 0.00 1.00 0.00 0.00 64.86 64.63 3ir5 h ILE 949 Cb 0.35 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 3ir5 h ILE 949 CO 0.02 0.41 0.61 0.44 0.00 0.00 0.00 178.15 179.63 3ir5 h ASP 950 N 0.50 1.02 -0.41 1.72 3.32 -1.78 0.19 116.42 120.99 3ir5 h ASP 950 Ca 0.08 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 3ir5 h ASP 950 Cb 0.68 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 3ir5 h ASP 950 CO 0.05 0.72 0.09 0.00 -1.72 0.00 0.00 179.24 178.38 3ir5 h ALA 951 N 1.36 0.54 -0.58 3.45 0.00 -1.19 -1.35 119.26 121.49 3ir5 h ALA 951 Ca 0.36 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ir5 h ALA 951 Cb -0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3ir5 h ALA 951 CO -0.10 0.22 0.36 0.00 0.00 0.00 0.00 179.25 179.72 3ir5 h ALA 952 N 0.95 0.74 0.00 0.00 0.00 0.04 -1.48 119.26 119.51 3ir5 h ALA 952 Ca 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3ir5 h ALA 952 Cb 0.32 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ir5 h ALA 952 CO 0.00 0.21 -0.17 0.93 0.00 0.00 0.00 179.25 180.23 3ir5 h GLU 953 N 0.78 0.00 -0.09 0.00 4.39 -0.41 -1.66 114.58 117.58 3ir5 h GLU 953 Ca 0.21 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 3ir5 h GLU 953 Cb -0.03 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3ir5 h GLU 953 CO -0.04 0.17 0.03 1.98 -1.16 0.00 0.00 179.01 179.99 3ir5 h MET 954 N 0.00 0.15 -0.59 2.33 4.05 -0.23 -1.48 114.93 119.16 3ir5 h MET 954 Ca -0.00 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.41 3ir5 h MET 954 Cb 0.30 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.05 3ir5 h MET 954 CO 0.02 0.30 0.37 0.82 0.23 0.00 0.00 176.91 178.65 3ir5 h ILE 955 N -0.04 1.10 -0.39 1.77 2.04 -0.71 -2.04 117.51 119.24 3ir5 h ILE 955 Ca 0.03 -0.25 -0.09 0.00 1.00 0.00 0.00 64.86 65.55 3ir5 h ILE 955 Cb 0.22 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3ir5 h ILE 955 CO -0.00 0.13 -0.10 -0.07 0.00 0.00 0.00 178.15 178.12 3ir5 h LEU 956 N 0.74 0.76 -0.85 1.44 3.38 -1.25 -1.96 115.31 117.57 3ir5 h LEU 956 Ca 0.23 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 3ir5 h LEU 956 Cb -0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3ir5 h LEU 956 CO -0.08 0.95 -0.51 0.74 0.09 0.00 0.00 178.44 179.62 3ir5 h THR 957 N 0.56 1.36 0.09 0.22 2.02 -1.18 -3.29 112.91 112.69 3ir5 h THR 957 Ca 0.10 -1.77 -0.30 0.00 0.77 0.00 0.00 66.41 65.21 3ir5 h THR 957 Cb 0.62 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 3ir5 h THR 957 CO 0.04 0.52 -1.53 -0.07 0.37 0.00 0.00 175.52 174.85 3ir5 h LEU 958 N 0.12 0.29 -9.92 2.58 3.38 -1.35 -3.45 115.31 106.96 3ir5 h LEU 958 Ca 0.00 -0.43 -0.51 0.00 0.09 0.00 0.00 57.88 57.03 3ir5 h LEU 958 Cb 0.95 -0.10 0.05 0.00 0.09 0.00 0.00 40.66 41.65 3ir5 h LEU 958 CO 0.07 1.36 0.52 0.00 0.09 0.00 0.00 178.44 180.49 3ir5 s ALA 959 N -2.62 3.23 -0.00 1.53 0.00 -0.74 -4.62 121.76 118.53 3ir5 s ALA 959 Ca -0.08 1.00 0.18 0.00 0.00 0.00 0.00 51.96 53.06 3ir5 s ALA 959 Cb 0.07 -3.39 0.40 0.00 0.00 0.00 0.00 23.12 20.21 3ir5 s ALA 959 CO 0.84 -0.51 1.60 -1.00 0.00 0.00 0.00 175.76 176.69 3ir5 h PRO 960 N 2.85 0.00 0.00 0.00 0.13 -1.87 -1.61 132.00 131.51 3ir5 h PRO 960 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 3ir5 h PRO 960 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 3ir5 h PRO 960 CO 0.63 0.42 -0.16 0.93 -0.23 0.00 0.00 178.00 179.60 3ir5 h GLU 961 N 0.00 0.00 -0.00 0.86 3.07 -1.88 -3.25 114.58 113.39 3ir5 h GLU 961 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3ir5 h GLU 961 Cb 1.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 3ir5 h GLU 961 CO 0.05 0.16 -0.01 0.25 -1.40 0.00 0.00 179.01 178.06 3ir5 n THR 962 N -3.43 0.00 -3.59 1.13 -2.24 -1.15 0.45 114.28 105.45 3ir5 n THR 962 Ca -0.01 -0.49 -0.29 0.00 -2.27 0.00 0.00 64.05 60.99 3ir5 n THR 962 Cb 0.34 1.04 -0.15 0.00 -2.10 0.00 0.00 70.33 69.45 3ir5 n THR 962 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ir5 s ASN 963 N -0.32 3.60 0.55 3.42 3.84 -0.62 -1.47 114.94 123.95 3ir5 s ASN 963 Ca 0.02 -1.34 0.31 0.00 0.21 0.00 0.00 52.86 52.06 3ir5 s ASN 963 Cb 0.02 -0.47 1.47 0.00 -0.55 0.00 0.00 41.25 41.72 3ir5 s ASN 963 CO 0.03 -0.43 1.88 1.23 -2.79 0.00 0.00 177.10 177.03 3ir5 h GLY 964 N 8.33 0.00 0.84 1.21 0.00 -0.70 0.49 103.07 113.23 3ir5 h GLY 964 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3ir5 h GLY 964 CO 0.44 0.00 0.04 -1.61 0.00 0.00 0.00 176.54 175.41 3ir5 h GLN 965 N 0.00 0.24 -0.24 4.80 4.15 -1.71 -2.02 115.11 120.33 3ir5 h GLN 965 Ca 0.37 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.60 3ir5 h GLN 965 Cb 1.58 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 29.22 3ir5 h GLN 965 CO -0.00 0.39 -0.39 0.28 -1.93 0.00 0.00 178.83 177.17 3ir5 h VAL 966 N 0.05 1.30 -0.94 2.39 2.07 -1.31 -2.98 116.25 116.82 3ir5 h VAL 966 Ca 0.05 -1.55 0.09 0.00 0.82 0.00 0.00 66.70 66.11 3ir5 h VAL 966 Cb 0.26 1.54 -0.07 0.00 -1.52 0.00 0.00 31.29 31.49 3ir5 h VAL 966 CO 0.00 0.49 0.59 0.00 0.02 0.00 0.00 177.57 178.67 3ir5 h ALA 967 N 1.11 1.35 -0.16 1.67 0.00 -0.72 0.65 119.26 123.16 3ir5 h ALA 967 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3ir5 h ALA 967 Cb 0.89 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3ir5 h ALA 967 CO 0.08 0.29 -0.25 0.28 0.00 0.00 0.00 179.25 179.64 3ir5 h VAL 968 N 1.02 1.35 -0.38 0.00 2.07 -1.30 -1.69 116.25 117.31 3ir5 h VAL 968 Ca 0.43 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 3ir5 h VAL 968 Cb 0.30 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 3ir5 h VAL 968 CO -0.21 0.44 0.22 0.11 0.02 0.00 0.00 177.57 178.14 3ir5 h LYS 969 N 0.09 0.51 -0.13 1.57 1.57 -1.28 -0.08 116.57 118.82 3ir5 h LYS 969 Ca 0.01 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 3ir5 h LYS 969 Cb 0.82 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 3ir5 h LYS 969 CO 0.06 0.37 -0.23 0.00 -0.57 0.00 0.00 179.45 179.09 3ir5 h ALA 970 N 1.72 0.21 0.00 3.86 0.00 -0.78 -1.51 119.26 122.75 3ir5 h ALA 970 Ca 0.14 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3ir5 h ALA 970 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ir5 h ALA 970 CO -0.02 0.17 -0.25 -1.49 0.00 0.00 0.00 179.25 177.66 3ir5 h TRP 971 N -0.01 0.00 -0.24 0.00 -0.00 -0.93 -2.29 115.95 112.47 3ir5 h TRP 971 Ca 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 58.89 58.80 3ir5 h TRP 971 Cb 0.80 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.96 3ir5 h TRP 971 CO 0.10 0.25 -0.23 0.00 -0.00 0.00 0.00 178.44 178.56 3ir5 h ALA 972 N 1.75 0.35 -0.68 1.49 0.00 -0.87 -1.57 119.26 119.74 3ir5 h ALA 972 Ca -0.00 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.58 3ir5 h ALA 972 Cb 0.51 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3ir5 h ALA 972 CO 0.03 0.31 0.41 0.00 0.00 0.00 0.00 179.25 180.01 3ir5 h ALA 973 N 0.68 0.90 -0.69 0.00 0.00 -0.85 -2.19 119.26 117.11 3ir5 h ALA 973 Ca 0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3ir5 h ALA 973 Cb 0.78 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3ir5 h ALA 973 CO 0.06 0.16 0.19 1.25 0.00 0.00 0.00 179.25 180.91 3ir5 h LEU 974 N 0.80 1.03 -2.07 0.00 5.85 -1.30 -2.74 115.31 116.87 3ir5 h LEU 974 Ca 0.28 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.84 3ir5 h LEU 974 Cb 0.07 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3ir5 h LEU 974 CO -0.13 0.98 0.34 0.28 -0.34 0.00 0.00 178.44 179.58 3ir5 h SER 975 N 1.02 0.00 -0.29 1.25 0.02 -0.62 0.28 113.55 115.22 3ir5 h SER 975 Ca 0.22 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.04 3ir5 h SER 975 Cb 0.34 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3ir5 h SER 975 CO -0.00 0.00 -0.27 -0.33 -1.14 0.00 0.00 176.83 175.09 3ir5 h GLU 976 N 0.00 0.79 -0.05 3.45 4.39 -1.39 -0.25 114.58 121.51 3ir5 h GLU 976 Ca 0.10 -0.34 -0.06 0.00 0.34 0.00 0.00 59.36 59.40 3ir5 h GLU 976 Cb 0.79 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 3ir5 h GLU 976 CO -0.00 0.96 -0.21 0.74 -1.16 0.00 0.00 179.01 179.34 3ir5 h PHE 977 N 0.67 0.31 0.00 4.33 0.04 -1.08 -2.90 116.94 118.31 3ir5 h PHE 977 Ca 0.08 -0.13 -0.07 0.00 2.80 0.00 0.00 57.97 60.65 3ir5 h PHE 977 Cb 0.80 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.89 3ir5 h PHE 977 CO 0.04 0.84 -0.55 1.79 -0.60 0.00 0.00 178.31 179.83 3ir5 h THR 978 N -0.31 0.42 -0.16 -1.55 1.35 -1.56 -2.42 112.91 108.69 3ir5 h THR 978 Ca -0.01 -1.64 -0.07 0.00 -0.55 0.00 0.00 66.41 64.14 3ir5 h THR 978 Cb 0.86 2.11 -0.03 0.00 -1.73 0.00 0.00 68.15 69.36 3ir5 h THR 978 CO 0.04 0.24 -0.06 0.61 -0.25 0.00 0.00 175.52 176.10 3ir5 n GLY 979 N 1.21 0.60 3.22 5.82 0.00 -0.11 -4.45 105.19 111.48 3ir5 n GLY 979 Ca 0.01 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 3ir5 n GLY 979 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ir5 s ARG 980 N -1.55 2.01 0.16 1.61 0.52 -1.24 -5.03 118.95 115.43 3ir5 s ARG 980 Ca 0.00 -0.77 -0.30 0.00 -0.52 0.00 0.00 55.73 54.14 3ir5 s ARG 980 Cb 0.00 -1.81 -0.08 0.00 0.52 0.00 0.00 34.95 33.59 3ir5 s ARG 980 CO 0.00 0.38 1.27 0.34 0.02 0.00 0.00 175.30 177.31 3ir5 s ASP 981 N -0.25 6.98 0.00 0.23 2.15 -1.26 -4.46 116.67 120.06 3ir5 s ASP 981 Ca 0.01 2.28 0.00 0.00 0.43 0.00 0.00 52.55 55.27 3ir5 s ASP 981 Cb -0.11 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 3ir5 s ASP 981 CO 0.01 -0.48 0.19 1.41 -0.17 0.00 0.00 175.17 176.13 3ir5 n HIS 982 N 2.96 0.00 0.28 -5.34 8.25 -1.26 -4.72 115.22 115.38 3ir5 n HIS 982 Ca 0.07 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.66 3ir5 n HIS 982 Cb 0.44 0.00 0.84 0.00 1.12 0.00 0.00 29.99 32.39 3ir5 n HIS 982 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 3ir5 h THR 983 N 0.24 0.59 0.00 1.59 1.35 -1.90 -0.91 112.91 113.87 3ir5 h THR 983 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 3ir5 h THR 983 Cb 0.12 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 3ir5 h THR 983 CO 0.00 0.04 0.08 1.12 -0.25 0.00 0.00 175.52 176.50 3ir5 h HIS 984 N 0.00 0.00 0.00 4.73 2.07 -1.98 0.19 115.15 120.17 3ir5 h HIS 984 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3ir5 h HIS 984 Cb 0.09 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.07 3ir5 h HIS 984 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 3ir5 n LEU 985 N -2.92 0.43 0.00 6.12 4.77 -0.35 -3.94 117.00 121.11 3ir5 n LEU 985 Ca -0.03 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 3ir5 n LEU 985 Cb 0.13 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 3ir5 n LEU 985 CO 0.17 -0.32 0.01 0.00 -1.33 0.00 0.00 177.39 175.91 3ir5 n ALA 986 N -1.67 0.07 -0.29 -1.18 0.00 -0.08 -4.66 120.51 112.71 3ir5 n ALA 986 Ca 0.04 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.53 3ir5 n ALA 986 Cb 0.27 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.00 3ir5 n ALA 986 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ir5 h LEU 987 N 0.00 0.83 0.00 0.00 3.38 -1.31 -0.61 115.31 117.60 3ir5 h LEU 987 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ir5 h LEU 987 Cb 0.32 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3ir5 h LEU 987 CO 0.00 0.50 0.00 -0.46 0.09 0.00 0.00 178.44 178.57 3ir5 n ASN 988 N -4.52 0.00 -0.27 -0.43 6.94 -1.26 -2.46 115.26 113.26 3ir5 n ASN 988 Ca 0.15 -0.78 0.00 0.00 -0.02 0.00 0.00 54.58 53.93 3ir5 n ASN 988 Cb 0.28 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.70 3ir5 n ASN 988 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3ir5 n LYS 989 N -0.81 0.10 0.17 -3.83 5.02 -0.29 -4.88 118.16 113.64 3ir5 n LYS 989 Ca 0.08 -0.85 0.18 0.00 -2.02 0.00 0.00 58.31 55.70 3ir5 n LYS 989 Cb 0.04 -0.54 0.80 0.00 -0.02 0.00 0.00 35.03 35.31 3ir5 n LYS 989 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3ir5 h GLU 990 N 0.00 0.00 -0.00 1.97 4.81 -1.08 0.30 114.58 120.57 3ir5 h GLU 990 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3ir5 h GLU 990 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3ir5 h GLU 990 CO 0.00 0.00 -0.20 -3.47 -0.73 0.00 0.00 179.01 174.61 3ir5 n ASP 991 N -3.81 0.69 -4.69 1.04 2.03 -1.26 -2.61 116.55 107.94 3ir5 n ASP 991 Ca 0.03 -0.63 -0.42 0.00 0.52 0.00 0.00 54.79 54.29 3ir5 n ASP 991 Cb 0.40 0.03 -0.03 0.00 -0.72 0.00 0.00 41.12 40.80 3ir5 n ASP 991 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3ir5 s GLU 992 N -2.56 4.29 -0.26 -0.67 2.56 0.09 -4.90 118.70 117.26 3ir5 s GLU 992 Ca 0.25 1.94 -0.04 0.00 0.00 0.00 0.00 54.97 57.12 3ir5 s GLU 992 Cb 0.19 -3.57 0.09 0.00 2.00 0.00 0.00 34.13 32.85 3ir5 s GLU 992 CO 0.52 -0.56 0.11 0.15 -0.56 0.00 0.00 175.26 174.92 3ir5 s LYS 993 N 2.36 0.23 -0.06 4.30 1.02 -1.26 -0.16 119.74 126.17 3ir5 s LYS 993 Ca 0.63 -0.47 -0.30 0.00 0.02 0.00 0.00 55.97 55.86 3ir5 s LYS 993 Cb -0.31 -1.43 -0.04 0.00 -0.52 0.00 0.00 37.83 35.53 3ir5 s LYS 993 CO 0.26 -0.92 1.28 0.42 -0.92 0.00 0.00 175.35 175.47 3ir5 s ILE 994 N 2.06 4.08 0.10 2.17 1.01 -0.54 -5.03 121.20 125.04 3ir5 s ILE 994 Ca 0.07 1.41 0.06 0.00 0.00 0.00 0.00 60.65 62.19 3ir5 s ILE 994 Cb -0.16 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 3ir5 s ILE 994 CO -0.28 -0.02 -0.05 -0.13 0.00 0.00 0.00 174.94 174.46 3ir5 s ARG 995 N 2.51 2.35 0.15 2.79 1.81 -1.26 -4.70 118.95 122.59 3ir5 s ARG 995 Ca 0.58 -0.92 -0.17 0.00 -1.72 0.00 0.00 55.73 53.50 3ir5 s ARG 995 Cb -0.26 -2.43 0.04 0.00 -0.45 0.00 0.00 34.95 31.85 3ir5 s ARG 995 CO 0.22 0.53 1.75 0.35 -0.68 0.00 0.00 175.30 177.47 3ir5 h PHE 996 N 3.54 0.18 0.00 -0.53 3.57 -1.95 -1.85 116.94 119.89 3ir5 h PHE 996 Ca -0.48 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 60.99 3ir5 h PHE 996 Cb 1.17 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 3ir5 h PHE 996 CO 0.60 0.07 -0.22 0.00 -2.23 0.00 0.00 178.31 176.54 3ir5 h ARG 997 N 0.24 0.00 -0.07 1.11 3.08 -2.00 -2.59 114.38 114.15 3ir5 h ARG 997 Ca 0.15 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.01 3ir5 h ARG 997 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 3ir5 h ARG 997 CO -0.16 0.22 -0.75 -0.44 -1.07 0.00 0.00 179.97 177.78 3ir5 h ASP 998 N 0.00 0.47 1.42 7.04 3.32 -1.73 -2.96 116.42 123.98 3ir5 h ASP 998 Ca -0.00 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.73 3ir5 h ASP 998 Cb 0.56 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3ir5 h ASP 998 CO 0.03 1.06 0.00 0.16 -1.72 0.00 0.00 179.24 178.77 3ir5 h ILE 999 N 0.27 0.00 0.00 0.35 3.07 -1.12 -0.95 117.51 119.13 3ir5 h ILE 999 Ca -0.03 -0.57 -0.08 0.00 1.55 0.00 0.00 64.86 65.73 3ir5 h ILE 999 Cb 1.33 1.52 -0.01 0.00 -0.27 0.00 0.00 36.82 39.39 3ir5 h ILE 999 CO 0.13 0.00 -0.38 1.56 -1.05 0.00 0.00 178.15 178.41 3ir5 h GLN 1000N 0.00 0.00 0.18 0.16 4.20 -1.31 -3.13 115.11 115.20 3ir5 h GLN 1000Ca 0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 3ir5 h GLN 1000Cb 0.71 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.50 3ir5 h GLN 1000CO 0.00 0.38 -1.50 0.00 -0.67 0.00 0.00 178.83 177.04 3ir5 h ALA 1001N 1.62 0.06 -1.88 3.87 0.00 -1.31 -3.45 119.26 118.18 3ir5 h ALA 1001Ca -0.00 -1.02 0.04 0.00 0.00 0.00 0.00 54.91 53.93 3ir5 h ALA 1001Cb 0.97 0.36 -0.23 0.00 0.00 0.00 0.00 17.79 18.90 3ir5 h ALA 1001CO 0.05 0.82 0.12 -1.14 0.00 0.00 0.00 179.25 179.11 3ir5 s GLN 1002N -2.54 0.63 0.33 0.00 0.74 -0.41 -5.11 119.66 113.29 3ir5 s GLN 1002Ca -0.15 1.07 -0.28 0.00 0.05 0.00 0.00 55.36 56.05 3ir5 s GLN 1002Cb 0.04 0.13 -0.13 0.00 1.10 0.00 0.00 33.01 34.16 3ir5 s GLN 1002CO 0.85 -0.13 1.12 -2.30 -0.55 0.00 0.00 175.29 174.28 3ir5 n PRO 1003N 4.08 1.66 -5.01 1.67 -0.02 -1.24 -3.99 135.00 132.14 3ir5 n PRO 1003Ca -0.19 0.58 -0.32 0.00 -2.02 0.00 0.00 63.50 61.55 3ir5 n PRO 1003Cb 0.58 -2.06 -0.15 0.00 -0.02 0.00 0.00 33.50 31.86 3ir5 n PRO 1003CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3ir5 s ARG 1004N -1.74 2.72 0.23 -0.52 1.81 -1.13 -4.48 118.95 115.83 3ir5 s ARG 1004Ca 0.58 -0.77 -0.30 0.00 -1.72 0.00 0.00 55.73 53.52 3ir5 s ARG 1004Cb -0.63 -2.35 -0.09 0.00 -0.45 0.00 0.00 34.95 31.43 3ir5 s ARG 1004CO 0.60 0.44 1.19 0.21 -0.68 0.00 0.00 175.30 177.07 3ir5 s LYS 1005N -0.27 4.51 0.96 3.54 2.20 -1.26 -1.20 119.74 128.22 3ir5 s LYS 1005Ca 0.01 1.92 -0.15 0.00 -0.36 0.00 0.00 55.97 57.38 3ir5 s LYS 1005Cb -0.13 -3.20 0.18 0.00 -1.51 0.00 0.00 37.83 33.17 3ir5 s LYS 1005CO 0.03 -0.03 1.23 0.96 -0.36 0.00 0.00 175.35 177.17 3ir5 s ILE 1006N -0.49 1.93 -0.12 5.43 -5.25 -0.11 -4.94 121.20 117.67 3ir5 s ILE 1006Ca 0.50 0.00 -0.07 0.00 -0.99 0.00 0.00 60.65 60.09 3ir5 s ILE 1006Cb -0.34 -2.87 -0.04 0.00 2.95 0.00 0.00 42.46 42.16 3ir5 s ILE 1006CO 0.40 0.00 0.15 -0.63 -1.79 0.00 0.00 174.94 173.07 3ir5 s ILE 1007N -3.58 5.48 0.12 8.37 1.01 0.17 -4.85 121.20 127.93 3ir5 s ILE 1007Ca 0.69 0.24 -0.34 0.00 0.00 0.00 0.00 60.65 61.24 3ir5 s ILE 1007Cb -0.08 -3.42 -0.14 0.00 0.01 0.00 0.00 42.46 38.83 3ir5 s ILE 1007CO 0.53 0.61 1.59 -1.20 0.00 0.00 0.00 174.94 176.48 3ir5 n SER 1008N 2.00 2.98 -4.06 3.58 7.64 -1.26 -4.37 113.62 120.12 3ir5 n SER 1008Ca -0.20 1.07 -0.14 0.00 1.01 0.00 0.00 58.87 60.62 3ir5 n SER 1008Cb 0.55 -1.39 -0.12 0.00 -1.01 0.00 0.00 64.21 62.24 3ir5 n SER 1008CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3ir5 s SER 1009N 1.29 0.94 0.00 6.43 0.15 -1.26 -4.80 113.70 116.45 3ir5 s SER 1009Ca 0.81 -0.50 0.12 0.00 0.70 0.00 0.00 55.95 57.08 3ir5 s SER 1009Cb -0.71 0.01 0.53 0.00 -1.71 0.00 0.00 66.02 64.14 3ir5 s SER 1009CO 0.41 -0.15 1.34 -0.81 1.20 0.00 0.00 173.24 175.22 3ir5 n PRO 1010N 1.63 0.06 0.27 5.44 -0.04 -1.26 -1.39 135.00 139.70 3ir5 n PRO 1010Ca -0.21 0.26 0.16 0.00 -0.04 0.00 0.00 63.50 63.66 3ir5 n PRO 1010Cb 0.55 -1.50 0.63 0.00 -0.04 0.00 0.00 33.50 33.14 3ir5 n PRO 1010CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3ir5 h THR 1011N 0.00 0.10 -2.96 0.52 2.02 -1.95 -3.45 112.91 107.19 3ir5 h THR 1011Ca 0.00 -0.63 -0.44 0.00 0.77 0.00 0.00 66.41 66.11 3ir5 h THR 1011Cb 0.17 1.57 -0.14 0.00 -1.74 0.00 0.00 68.15 68.00 3ir5 h THR 1011CO 0.00 0.04 -0.68 0.26 0.37 0.00 0.00 175.52 175.51 3ir5 s TRP 1012N -3.66 1.73 -0.90 3.16 0.52 -0.49 -5.06 118.94 114.24 3ir5 s TRP 1012Ca 0.01 -0.76 0.16 0.00 0.02 0.00 0.00 56.10 55.53 3ir5 s TRP 1012Cb 0.09 -0.96 0.57 0.00 -1.15 0.00 0.00 33.47 32.02 3ir5 s TRP 1012CO 0.56 0.16 1.49 -1.13 0.02 0.00 0.00 176.95 178.05 3ir5 n SER 1013N -0.47 4.08 -4.57 2.95 3.41 -1.26 -4.76 113.62 112.99 3ir5 n SER 1013Ca -0.06 -2.44 -0.27 0.00 -0.26 0.00 0.00 58.87 55.85 3ir5 n SER 1013Cb 0.63 -0.48 -0.11 0.00 -0.26 0.00 0.00 64.21 63.99 3ir5 n SER 1013CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3ir5 s GLY 1014N -1.16 2.33 0.12 5.00 0.00 -1.26 -0.53 107.32 111.82 3ir5 s GLY 1014Ca 0.42 -2.19 0.08 0.00 0.00 0.00 0.00 44.72 43.03 3ir5 s GLY 1014CO 0.19 -2.05 -0.14 1.08 0.00 0.00 0.00 173.10 172.18 3ir5 s LEU 1015N -3.65 2.86 -0.51 0.66 1.43 -1.26 -4.66 118.68 113.55 3ir5 s LEU 1015Ca 0.34 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 3ir5 s LEU 1015Cb 0.06 -1.68 0.13 0.00 0.03 0.00 0.00 46.19 44.74 3ir5 s LEU 1015CO 0.17 0.17 0.42 -1.61 0.23 0.00 0.00 176.35 175.73 3ir5 s GLU 1016N -2.23 2.69 0.12 1.70 0.41 -1.26 -3.52 118.70 116.61 3ir5 s GLU 1016Ca 0.20 -1.80 0.01 0.00 -0.41 0.00 0.00 54.97 52.97 3ir5 s GLU 1016Cb -0.11 -4.06 -0.04 0.00 -1.78 0.00 0.00 34.13 28.14 3ir5 s GLU 1016CO 0.12 -1.24 -0.02 0.34 -0.49 0.00 0.00 175.26 173.97 3ir5 s ASP 1017N 2.89 0.92 0.29 -0.19 2.15 -1.25 -4.55 116.67 116.92 3ir5 s ASP 1017Ca 0.06 -1.09 0.23 0.00 0.43 0.00 0.00 52.55 52.18 3ir5 s ASP 1017Cb -0.27 0.15 0.26 0.00 -0.30 0.00 0.00 42.92 42.76 3ir5 s ASP 1017CO -0.00 -0.56 1.37 1.05 -0.17 0.00 0.00 175.17 176.86 3ir5 h GLU 1018N 2.89 0.00 0.00 4.34 4.11 -2.01 -3.38 114.58 120.54 3ir5 h GLU 1018Ca -0.35 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 58.81 3ir5 h GLU 1018Cb 1.18 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 3ir5 h GLU 1018CO 0.63 0.00 -2.10 0.72 0.07 0.00 0.00 179.01 178.33 3ir5 n HIS 1019N -2.73 0.00 -4.76 2.06 8.25 -1.26 -4.80 115.22 111.98 3ir5 n HIS 1019Ca 0.03 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.23 3ir5 n HIS 1019Cb 0.52 -0.77 -0.16 0.00 1.12 0.00 0.00 29.99 30.70 3ir5 n HIS 1019CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3ir5 s VAL 1020N -2.52 1.33 0.99 1.59 0.11 -1.26 -5.14 120.40 115.50 3ir5 s VAL 1020Ca -0.08 -0.65 -0.12 0.00 -2.93 0.00 0.00 61.98 58.20 3ir5 s VAL 1020Cb 0.06 -1.15 0.19 0.00 -1.53 0.00 0.00 36.38 33.95 3ir5 s VAL 1020CO 0.69 0.39 1.08 -0.44 -3.33 0.00 0.00 175.10 173.49 3ir5 s SER 1021N 0.12 2.58 -0.16 3.54 0.01 -1.26 -3.88 113.70 114.66 3ir5 s SER 1021Ca -0.05 1.40 -0.29 0.00 1.31 0.00 0.00 55.95 58.32 3ir5 s SER 1021Cb -0.12 -2.08 -0.01 0.00 0.21 0.00 0.00 66.02 64.02 3ir5 s SER 1021CO 0.02 -3.19 1.22 -0.47 0.41 0.00 0.00 173.24 171.24 3ir5 s TYR 1022N -2.84 2.96 -0.10 2.43 5.04 -1.23 -4.63 117.35 118.98 3ir5 s TYR 1022Ca 0.65 1.10 -0.02 0.00 -2.44 0.00 0.00 57.07 56.36 3ir5 s TYR 1022Cb -0.20 -3.46 0.04 0.00 0.35 0.00 0.00 41.96 38.69 3ir5 s TYR 1022CO 0.59 -1.48 0.01 1.21 -1.34 0.00 0.00 175.55 174.53 3ir5 s ASN 1023N 1.81 1.89 0.43 4.32 3.84 -1.26 -1.68 114.94 124.28 3ir5 s ASN 1023Ca 0.53 -0.25 -0.24 0.00 0.21 0.00 0.00 52.86 53.11 3ir5 s ASN 1023Cb -0.21 -0.48 -0.10 0.00 -0.55 0.00 0.00 41.25 39.91 3ir5 s ASN 1023CO 0.14 -0.22 0.98 0.00 -2.79 0.00 0.00 177.10 175.21 3ir5 n ALA 1024N 5.13 0.07 -0.89 1.71 0.00 -1.26 -1.71 120.51 123.57 3ir5 n ALA 1024Ca -0.08 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3ir5 n ALA 1024Cb 0.49 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.88 3ir5 n ALA 1024CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ir5 n GLY 1025N 1.23 0.54 0.29 0.00 0.00 -1.09 -3.10 105.19 103.05 3ir5 n GLY 1025Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 3ir5 n GLY 1025CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ir5 h TYR 1026N 0.00 0.97 -0.42 1.61 3.20 0.09 -2.52 116.97 119.89 3ir5 h TYR 1026Ca 0.00 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.78 3ir5 h TYR 1026Cb 0.12 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 3ir5 h TYR 1026CO 0.08 0.73 0.12 1.79 -1.64 0.00 0.00 178.16 179.24 3ir5 h THR 1027N 0.93 1.22 0.02 1.81 1.35 -1.28 0.33 112.91 117.30 3ir5 h THR 1027Ca 0.23 -0.75 0.03 0.00 -0.55 0.00 0.00 66.41 65.37 3ir5 h THR 1027Cb 0.12 0.91 -0.04 0.00 -1.73 0.00 0.00 68.15 67.41 3ir5 h THR 1027CO -0.03 0.27 -0.24 0.78 -0.25 0.00 0.00 175.52 176.05 3ir5 h ASN 1028N 0.55 -0.69 -0.19 5.36 4.21 -1.65 1.14 115.58 124.30 3ir5 h ASN 1028Ca 0.14 0.09 -0.10 0.00 1.21 0.00 0.00 56.30 57.64 3ir5 h ASN 1028Cb 0.28 0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.75 3ir5 h ASN 1028CO -0.00 -0.31 -0.22 0.58 -1.29 0.00 0.00 177.43 176.19 3ir5 h VAL 1029N -0.38 1.27 0.00 2.81 2.07 -1.38 -2.02 116.25 118.61 3ir5 h VAL 1029Ca 0.06 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.30 3ir5 h VAL 1029Cb 0.45 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3ir5 h VAL 1029CO -0.20 0.42 -1.62 1.41 0.02 0.00 0.00 177.57 177.60 3ir5 n HIS 1030N -4.12 0.00 0.46 1.57 8.25 0.10 -4.40 115.22 117.08 3ir5 n HIS 1030Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.52 3ir5 n HIS 1030Cb 0.41 -0.33 0.03 0.00 1.12 0.00 0.00 29.99 31.22 3ir5 n HIS 1030CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3ir5 n GLU 1031N -1.98 1.01 -2.73 -0.41 -0.58 0.39 -4.99 120.64 111.36 3ir5 n GLU 1031Ca -0.02 -0.99 -0.22 0.00 -0.42 0.00 0.00 57.16 55.51 3ir5 n GLU 1031Cb 0.43 -1.18 0.01 0.00 -0.57 0.00 0.00 31.44 30.14 3ir5 n GLU 1031CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3ir5 n LEU 1032N 0.35 -2.35 -4.66 -4.62 4.32 -0.77 -4.91 117.00 104.36 3ir5 n LEU 1032Ca 0.06 -0.16 -0.40 0.00 -0.02 0.00 0.00 56.01 55.48 3ir5 n LEU 1032Cb 0.26 -2.98 -0.06 0.00 -1.62 0.00 0.00 43.42 39.03 3ir5 n LEU 1032CO 0.09 0.02 0.41 -0.63 -1.22 0.00 0.00 177.39 176.06 3ir5 s ILE 1033N -3.12 5.00 0.51 -0.08 1.01 -1.18 -0.38 121.20 122.96 3ir5 s ILE 1033Ca 0.16 1.26 -0.21 0.00 0.00 0.00 0.00 60.65 61.86 3ir5 s ILE 1033Cb -0.07 -3.97 -0.07 0.00 0.01 0.00 0.00 42.46 38.36 3ir5 s ILE 1033CO 0.20 0.10 1.14 -2.16 0.00 0.00 0.00 174.94 174.22 3ir5 s PRO 1034N 1.90 3.54 0.45 2.79 0.04 -1.26 -4.01 135.00 138.45 3ir5 s PRO 1034Ca 0.30 1.65 -0.23 0.00 0.04 0.00 0.00 61.00 62.77 3ir5 s PRO 1034Cb -0.16 -2.16 -0.08 0.00 0.04 0.00 0.00 34.50 32.14 3ir5 s PRO 1034CO 0.11 -0.71 1.16 -1.58 0.04 0.00 0.00 177.00 176.02 3ir5 s TRP 1035N -1.70 2.91 -1.03 0.56 0.51 -0.04 -4.86 118.94 115.28 3ir5 s TRP 1035Ca 0.69 1.54 -0.07 0.00 -2.12 0.00 0.00 56.10 56.14 3ir5 s TRP 1035Cb -0.25 -3.36 -0.10 0.00 -0.81 0.00 0.00 33.47 28.95 3ir5 s TRP 1035CO 0.29 -1.44 2.62 0.54 -0.51 0.00 0.00 176.95 178.45 3ir5 n ARG 1036N -0.44 2.65 -4.43 4.98 3.00 -1.17 -3.99 116.66 117.25 3ir5 n ARG 1036Ca 0.07 -1.63 -0.24 0.00 -0.01 0.00 0.00 57.85 56.04 3ir5 n ARG 1036Cb 0.48 -2.48 -0.09 0.00 0.00 0.00 0.00 32.46 30.36 3ir5 n ARG 1036CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3ir5 s THR 1037N 2.53 2.66 0.29 0.55 -4.23 -1.26 -3.83 115.64 112.35 3ir5 s THR 1037Ca 0.54 -2.26 -0.02 0.00 -1.18 0.00 0.00 61.69 58.77 3ir5 s THR 1037Cb 0.16 -2.48 0.42 0.00 1.34 0.00 0.00 72.50 71.94 3ir5 s THR 1037CO -0.04 -0.36 1.57 0.25 -0.54 0.00 0.00 174.62 175.50 3ir5 h LEU 1038N 2.14 -0.62 -0.38 4.79 5.85 -1.90 0.19 115.31 125.37 3ir5 h LEU 1038Ca -0.41 0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3ir5 h LEU 1038Cb 1.26 0.52 0.00 0.00 0.37 0.00 0.00 40.66 42.81 3ir5 h LEU 1038CO 0.62 -0.34 -0.40 -1.54 -0.34 0.00 0.00 178.44 176.44 3ir5 n SER 1039N -5.53 1.00 0.00 1.25 3.41 -1.26 -0.22 113.62 112.28 3ir5 n SER 1039Ca 0.20 -0.80 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 3ir5 n SER 1039Cb 0.65 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 3ir5 n SER 1039CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ir5 n GLY 1040N 1.40 2.82 3.90 5.00 0.00 0.67 -3.54 105.19 115.44 3ir5 n GLY 1040Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 3ir5 n GLY 1040CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ir5 s ARG 1041N 0.00 2.25 -0.25 1.61 3.00 -1.26 -0.86 118.95 123.44 3ir5 s ARG 1041Ca 0.00 -2.05 -0.29 0.00 0.00 0.00 0.00 55.73 53.39 3ir5 s ARG 1041Cb 0.00 -2.06 -0.02 0.00 0.00 0.00 0.00 34.95 32.87 3ir5 s ARG 1041CO 0.00 -0.61 1.63 -0.65 0.00 0.00 0.00 175.30 175.66 3ir5 s GLN 1042N -4.26 3.72 -0.49 3.54 -0.21 -0.48 -4.73 119.66 116.75 3ir5 s GLN 1042Ca 0.32 1.59 -0.28 0.00 0.02 0.00 0.00 55.36 57.00 3ir5 s GLN 1042Cb -0.02 -4.05 0.01 0.00 1.00 0.00 0.00 33.01 29.95 3ir5 s GLN 1042CO 0.20 -1.38 1.38 -0.65 -2.12 0.00 0.00 175.29 172.72 3ir5 s GLN 1043N 4.81 3.46 0.01 2.91 -1.52 -0.47 -2.55 119.66 126.31 3ir5 s GLN 1043Ca 0.72 0.65 0.10 0.00 -1.95 0.00 0.00 55.36 54.88 3ir5 s GLN 1043Cb -0.24 -4.06 -0.23 0.00 -0.22 0.00 0.00 33.01 28.27 3ir5 s GLN 1043CO 0.30 -1.73 0.86 -0.07 -0.25 0.00 0.00 175.29 174.40 3ir5 h LEU 1044N 12.53 0.02 -8.45 2.90 4.07 -1.90 -3.40 115.31 121.08 3ir5 h LEU 1044Ca -0.27 -0.03 -0.69 0.00 0.08 0.00 0.00 57.88 56.98 3ir5 h LEU 1044Cb 1.09 -0.01 -0.24 0.00 1.08 0.00 0.00 40.66 42.59 3ir5 h LEU 1044CO 1.14 1.02 -0.54 -0.47 -1.08 0.00 0.00 178.44 178.51 3ir5 s TYR 1045N -2.63 3.21 -0.59 1.13 5.04 -1.26 -4.56 117.35 117.68 3ir5 s TYR 1045Ca -0.03 -0.80 -0.20 0.00 -2.44 0.00 0.00 57.07 53.59 3ir5 s TYR 1045Cb 0.09 -2.39 0.08 0.00 0.35 0.00 0.00 41.96 40.09 3ir5 s TYR 1045CO 0.82 -0.56 0.78 -0.65 -1.34 0.00 0.00 175.55 174.60 3ir5 s GLN 1046N 1.57 3.10 -0.12 4.97 -1.52 0.39 -4.92 119.66 123.13 3ir5 s GLN 1046Ca 0.03 -1.02 0.11 0.00 -1.95 0.00 0.00 55.36 52.53 3ir5 s GLN 1046Cb -0.18 -4.21 0.55 0.00 -0.22 0.00 0.00 33.01 28.94 3ir5 s GLN 1046CO 0.06 -1.56 1.38 -0.40 -0.25 0.00 0.00 175.29 174.52 3ir5 n ASP 1047N 6.79 3.93 -4.74 5.90 5.75 -1.26 -4.10 116.55 128.82 3ir5 n ASP 1047Ca -0.07 -2.49 -0.41 0.00 -0.01 0.00 0.00 54.79 51.82 3ir5 n ASP 1047Cb 0.44 -0.56 -0.04 0.00 -1.03 0.00 0.00 41.12 39.93 3ir5 n ASP 1047CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3ir5 s HIS 1048N -2.00 3.59 0.09 2.11 2.46 -1.26 -4.63 115.29 115.65 3ir5 s HIS 1048Ca 0.37 1.59 -0.18 0.00 0.47 0.00 0.00 55.06 57.31 3ir5 s HIS 1048Cb 0.26 -3.28 -0.04 0.00 -0.13 0.00 0.00 32.58 29.39 3ir5 s HIS 1048CO 0.14 -0.63 1.01 0.94 -2.47 0.00 0.00 174.74 173.73 3ir5 n GLN 1049N 2.38 -0.26 -0.34 2.88 7.27 -1.26 0.40 117.38 128.45 3ir5 n GLN 1049Ca 0.03 0.99 0.03 0.00 0.07 0.00 0.00 57.00 58.13 3ir5 n GLN 1049Cb 0.46 -1.47 0.18 0.00 2.41 0.00 0.00 30.24 31.83 3ir5 n GLN 1049CO 0.00 0.00 0.00 -1.49 0.07 0.00 0.00 177.06 175.64 3ir5 h TRP 1050N 0.00 1.07 -0.57 3.69 4.06 -1.98 -0.89 115.95 121.33 3ir5 h TRP 1050Ca 0.09 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 61.06 3ir5 h TRP 1050Cb 0.24 -0.34 -0.03 0.00 -1.00 0.00 0.00 29.16 28.03 3ir5 h TRP 1050CO -0.71 0.50 0.29 0.52 -3.56 0.00 0.00 178.44 175.48 3ir5 h MET 1051N 1.01 0.82 -0.32 0.49 2.86 -0.37 -0.65 114.93 118.77 3ir5 h MET 1051Ca 0.43 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.91 3ir5 h MET 1051Cb 0.29 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3ir5 h MET 1051CO -0.21 0.65 -0.01 0.00 1.06 0.00 0.00 176.91 178.39 3ir5 h ARG 1052N 0.78 0.57 0.00 1.72 3.08 -0.33 0.31 114.38 120.51 3ir5 h ARG 1052Ca 0.20 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3ir5 h ARG 1052Cb 0.09 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3ir5 h ARG 1052CO -0.03 0.71 0.00 -0.44 -1.07 0.00 0.00 179.97 179.14 3ir5 h ASP 1053N 0.36 0.00 -0.57 7.04 3.32 -1.07 -2.47 116.42 123.04 3ir5 h ASP 1053Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3ir5 h ASP 1053Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3ir5 h ASP 1053CO 0.02 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.03 3ir5 n PHE 1054N -2.58 1.95 -2.58 4.55 3.72 -0.26 0.12 117.46 122.37 3ir5 n PHE 1054Ca 0.03 -0.68 -0.21 0.00 -0.05 0.00 0.00 57.45 56.54 3ir5 n PHE 1054Cb 0.38 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 3ir5 n PHE 1054CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ir5 n GLY 1055N 0.67 -0.51 1.14 1.37 0.00 -0.93 -4.51 105.19 102.43 3ir5 n GLY 1055Ca 0.27 0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.34 3ir5 n GLY 1055CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ir5 n GLU 1056N -3.33 1.46 0.05 1.61 1.02 0.11 -4.69 120.64 116.87 3ir5 n GLU 1056Ca -0.21 -3.10 -0.05 0.00 -0.02 0.00 0.00 57.16 53.78 3ir5 n GLU 1056Cb 0.67 -1.30 0.16 0.00 -0.02 0.00 0.00 31.44 30.95 3ir5 n GLU 1056CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3ir5 h SER 1057N 1.25 0.41 -3.53 1.62 4.64 -1.69 -3.42 113.55 112.83 3ir5 h SER 1057Ca -0.02 -0.18 -0.46 0.00 -0.47 0.00 0.00 61.79 60.66 3ir5 h SER 1057Cb 1.31 -0.11 -0.16 0.00 -0.31 0.00 0.00 62.40 63.12 3ir5 h SER 1057CO 0.13 0.79 -0.76 -0.76 -0.87 0.00 0.00 176.83 175.37 3ir5 s LEU 1058N -8.35 2.48 0.56 5.97 1.43 -1.26 -0.46 118.68 119.05 3ir5 s LEU 1058Ca -0.06 -0.92 -0.18 0.00 -1.03 0.00 0.00 54.13 51.94 3ir5 s LEU 1058Cb 0.13 -0.69 -0.05 0.00 0.03 0.00 0.00 46.19 45.60 3ir5 s LEU 1058CO 0.80 -0.12 1.10 -1.48 0.23 0.00 0.00 176.35 176.88 3ir5 s LEU 1059N -2.90 3.68 0.06 1.79 2.34 -1.26 -5.04 118.68 117.35 3ir5 s LEU 1059Ca 0.17 2.06 -0.23 0.00 0.06 0.00 0.00 54.13 56.19 3ir5 s LEU 1059Cb -0.03 -4.57 0.06 0.00 -0.56 0.00 0.00 46.19 41.09 3ir5 s LEU 1059CO 0.06 -1.20 0.55 0.68 -1.06 0.00 0.00 176.35 175.38 3ir5 s VAL 1060N -1.98 0.02 0.18 1.48 -7.23 -1.26 -5.02 120.40 106.59 3ir5 s VAL 1060Ca 0.70 -0.18 -0.30 0.00 -1.81 0.00 0.00 61.98 60.38 3ir5 s VAL 1060Cb -0.21 -0.99 -0.08 0.00 0.56 0.00 0.00 36.38 35.66 3ir5 s VAL 1060CO 0.29 -0.10 1.26 -0.47 -0.31 0.00 0.00 175.10 175.77 3ir5 s TYR 1061N -2.61 3.33 -0.15 2.82 5.04 -1.26 -4.87 117.35 119.65 3ir5 s TYR 1061Ca -0.04 1.28 -0.02 0.00 -2.44 0.00 0.00 57.07 55.85 3ir5 s TYR 1061Cb -0.01 -3.53 0.05 0.00 0.35 0.00 0.00 41.96 38.82 3ir5 s TYR 1061CO -0.03 -1.62 0.00 1.03 -1.34 0.00 0.00 175.55 173.59 3ir5 s ARG 1062N 0.01 0.86 0.81 4.97 1.81 -1.26 -3.99 118.95 122.16 3ir5 s ARG 1062Ca 0.56 -0.29 -0.11 0.00 -1.72 0.00 0.00 55.73 54.16 3ir5 s ARG 1062Cb -0.35 -1.75 0.08 0.00 -0.45 0.00 0.00 34.95 32.49 3ir5 s ARG 1062CO 0.36 -0.48 1.12 -1.25 -0.68 0.00 0.00 175.30 174.37 3ir5 s PRO 1063N 1.83 1.86 0.54 3.54 0.04 -1.26 -4.91 135.00 136.62 3ir5 s PRO 1063Ca 0.01 1.37 -0.21 0.00 0.04 0.00 0.00 61.00 62.22 3ir5 s PRO 1063Cb -0.15 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 3ir5 s PRO 1063CO -0.07 -1.97 0.99 -2.30 0.04 0.00 0.00 177.00 173.68 3ir5 n PRO 1064N -3.62 1.10 -2.64 0.56 -0.02 -1.26 -4.96 135.00 124.17 3ir5 n PRO 1064Ca 0.11 0.41 -0.30 0.00 -2.02 0.00 0.00 63.50 61.69 3ir5 n PRO 1064Cb 0.52 -2.14 -0.02 0.00 -0.02 0.00 0.00 33.50 31.84 3ir5 n PRO 1064CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3ir5 s ILE 1065N -1.43 4.75 -0.33 4.25 -4.36 -1.26 -4.55 121.20 118.26 3ir5 s ILE 1065Ca 0.71 0.69 -0.18 0.00 -0.26 0.00 0.00 60.65 61.61 3ir5 s ILE 1065Cb -0.46 -3.76 -0.01 0.00 1.25 0.00 0.00 42.46 39.47 3ir5 s ILE 1065CO 0.51 -0.67 0.52 -0.62 0.24 0.00 0.00 174.94 174.92 3ir5 s ASP 1066N -3.39 6.35 0.00 4.36 -1.08 -1.26 -4.84 116.67 116.81 3ir5 s ASP 1066Ca 0.52 0.12 0.26 0.00 -0.52 0.00 0.00 52.55 52.93 3ir5 s ASP 1066Cb -0.10 -2.27 1.10 0.00 -1.46 0.00 0.00 42.92 40.19 3ir5 s ASP 1066CO 0.36 -0.44 1.77 0.35 0.52 0.00 0.00 175.17 177.72 3ir5 n THR 1067N 5.37 0.05 -3.97 1.71 -2.24 -1.26 -4.80 114.28 109.15 3ir5 n THR 1067Ca -0.04 -0.22 -0.28 0.00 -2.27 0.00 0.00 64.05 61.24 3ir5 n THR 1067Cb 0.49 0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.95 3ir5 n THR 1067CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ir5 n ARG 1068N -0.01 -0.83 -0.02 -0.78 1.74 -1.26 -4.81 116.66 110.69 3ir5 n ARG 1068Ca 0.19 0.04 0.04 0.00 -0.77 0.00 0.00 57.85 57.35 3ir5 n ARG 1068Cb 0.30 -2.62 0.05 0.00 -1.02 0.00 0.00 32.46 29.16 3ir5 n ARG 1068CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3ir5 n SER 1069N -2.09 1.88 -0.07 0.55 3.41 -1.26 -4.78 113.62 111.26 3ir5 n SER 1069Ca -0.23 -1.46 -0.13 0.00 -0.26 0.00 0.00 58.87 56.80 3ir5 n SER 1069Cb 0.53 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.40 3ir5 n SER 1069CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3ir5 n VAL 1070N 0.48 0.82 0.22 -3.33 0.31 -1.26 -0.23 118.33 115.33 3ir5 n VAL 1070Ca 0.06 -0.27 0.13 0.00 -0.01 0.00 0.00 64.34 64.25 3ir5 n VAL 1070Cb 0.25 -1.31 0.65 0.00 -0.91 0.00 0.00 33.84 32.52 3ir5 n VAL 1070CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3ir5 h LYS 1071N -0.24 0.00 -0.01 5.55 1.57 -1.96 -1.99 116.57 119.50 3ir5 h LYS 1071Ca -0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3ir5 h LYS 1071Cb 1.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.73 3ir5 h LYS 1071CO -0.13 0.00 -0.50 -1.91 -0.57 0.00 0.00 179.45 176.34 3ir5 n GLU 1072N -2.36 0.66 -0.00 3.15 4.07 -1.26 -4.43 120.64 120.47 3ir5 n GLU 1072Ca -0.01 -0.48 -0.00 0.00 -0.06 0.00 0.00 57.16 56.61 3ir5 n GLU 1072Cb 0.07 -1.49 -0.01 0.00 -0.06 0.00 0.00 31.44 29.96 3ir5 n GLU 1072CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 3ir5 n VAL 1073N -0.75 0.03 -1.68 6.31 0.24 -0.91 -4.91 118.33 116.66 3ir5 n VAL 1073Ca 0.09 -0.02 -0.45 0.00 -2.04 0.00 0.00 64.34 61.91 3ir5 n VAL 1073Cb 0.38 -0.47 -0.04 0.00 -1.47 0.00 0.00 33.84 32.25 3ir5 n VAL 1073CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ir5 n ILE 1074N -1.85 0.11 0.00 1.34 3.06 -0.80 -1.72 119.36 119.51 3ir5 n ILE 1074Ca -0.01 -0.02 0.00 0.00 -2.50 0.00 0.00 62.75 60.22 3ir5 n ILE 1074Cb 0.34 -1.74 0.00 0.00 0.54 0.00 0.00 39.64 38.78 3ir5 n ILE 1074CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3ir5 n GLY 1075N 3.75 2.97 0.30 4.50 0.00 -1.26 -4.87 105.19 110.58 3ir5 n GLY 1075Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 3ir5 n GLY 1075CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3ir5 h GLN 1076N 1.41 0.00 -1.83 1.61 1.08 -1.69 -3.15 115.11 112.54 3ir5 h GLN 1076Ca 0.00 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.72 3ir5 h GLN 1076Cb 0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 27.03 3ir5 h GLN 1076CO 0.00 0.00 -1.11 1.63 -0.95 0.00 0.00 178.83 178.40 3ir5 n LYS 1077N -4.16 1.41 -1.41 1.46 5.02 -1.26 -5.12 118.16 114.10 3ir5 n LYS 1077Ca -0.00 -3.60 -0.36 0.00 -2.02 0.00 0.00 58.31 52.32 3ir5 n LYS 1077Cb 0.20 -1.71 0.07 0.00 -0.02 0.00 0.00 35.03 33.57 3ir5 n LYS 1077CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3ir5 n SER 1078N 0.11 0.05 0.00 4.39 2.88 -1.19 -4.93 113.62 114.93 3ir5 n SER 1078Ca 0.23 0.69 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 3ir5 n SER 1078Cb 0.65 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 3ir5 n SER 1078CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3ir5 n ASN 1079N -0.98 1.07 0.00 -3.46 6.94 -1.26 -5.00 115.26 112.57 3ir5 n ASN 1079Ca 0.12 -1.34 0.00 0.00 -0.02 0.00 0.00 54.58 53.34 3ir5 n ASN 1079Cb 0.49 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 3ir5 n ASN 1079CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ir5 n GLY 1080N -0.17 2.51 3.88 4.83 0.00 -1.26 -4.91 105.19 110.08 3ir5 n GLY 1080Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3ir5 n GLY 1080CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ir5 s ASN 1081N 0.11 6.55 0.69 1.61 0.01 -1.26 -5.05 114.94 117.59 3ir5 s ASN 1081Ca 0.00 0.91 -0.16 0.00 -0.71 0.00 0.00 52.86 52.90 3ir5 s ASN 1081Cb 0.00 -2.22 0.02 0.00 0.41 0.00 0.00 41.25 39.45 3ir5 s ASN 1081CO 0.00 -0.19 1.18 -1.58 -1.51 0.00 0.00 177.10 175.00 3ir5 s GLN 1082N -3.28 2.46 0.17 -0.60 0.74 -1.26 -4.90 119.66 112.99 3ir5 s GLN 1082Ca 0.47 1.67 0.08 0.00 0.05 0.00 0.00 55.36 57.64 3ir5 s GLN 1082Cb -0.11 -1.88 -0.04 0.00 1.10 0.00 0.00 33.01 32.08 3ir5 s GLN 1082CO 0.26 -1.57 -0.18 -1.21 -0.55 0.00 0.00 175.29 172.04 3ir5 s GLU 1083N -3.85 1.28 -0.19 1.67 2.02 -1.26 -4.33 118.70 114.04 3ir5 s GLU 1083Ca 0.73 -1.42 -0.23 0.00 0.02 0.00 0.00 54.97 54.07 3ir5 s GLU 1083Cb -0.27 -1.32 0.06 0.00 0.10 0.00 0.00 34.13 32.70 3ir5 s GLU 1083CO 0.42 0.27 0.61 0.21 0.02 0.00 0.00 175.26 176.79 3ir5 s LYS 1084N -2.84 0.79 -0.10 1.61 2.20 -0.92 -4.94 119.74 115.53 3ir5 s LYS 1084Ca 0.16 0.69 -0.25 0.00 -0.36 0.00 0.00 55.97 56.21 3ir5 s LYS 1084Cb -0.05 0.38 -0.03 0.00 -1.51 0.00 0.00 37.83 36.62 3ir5 s LYS 1084CO 0.07 -0.14 0.77 0.00 -0.36 0.00 0.00 175.35 175.69 3ir5 s ALA 1085N -0.06 3.39 0.07 3.13 0.00 -1.26 -0.78 121.76 126.25 3ir5 s ALA 1085Ca -0.03 0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.08 3ir5 s ALA 1085Cb -0.04 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 3ir5 s ALA 1085CO 0.03 -0.33 -0.10 -0.51 0.00 0.00 0.00 175.76 174.85 3ir5 s LEU 1086N 1.34 2.33 -0.02 0.00 1.43 0.56 -4.95 118.68 119.37 3ir5 s LEU 1086Ca 0.39 -0.69 -0.30 0.00 -1.03 0.00 0.00 54.13 52.50 3ir5 s LEU 1086Cb -0.18 -0.31 -0.04 0.00 0.03 0.00 0.00 46.19 45.69 3ir5 s LEU 1086CO 0.17 -0.20 1.27 0.21 0.23 0.00 0.00 176.35 178.03 3ir5 s ASN 1087N -2.02 6.98 -0.60 2.29 3.04 -0.43 -0.83 114.94 123.37 3ir5 s ASN 1087Ca -0.01 1.95 -0.16 0.00 0.04 0.00 0.00 52.86 54.68 3ir5 s ASN 1087Cb -0.07 -2.56 0.14 0.00 -1.54 0.00 0.00 41.25 37.22 3ir5 s ASN 1087CO 0.01 -0.62 0.59 0.12 -3.04 0.00 0.00 177.10 174.16 3ir5 s PHE 1088N 2.12 3.27 -0.04 0.43 5.36 -0.52 -0.56 117.98 128.03 3ir5 s PHE 1088Ca 0.59 -1.33 -0.04 0.00 -0.96 0.00 0.00 56.93 55.19 3ir5 s PHE 1088Cb -0.28 -3.86 -0.04 0.00 -0.34 0.00 0.00 43.02 38.50 3ir5 s PHE 1088CO 0.25 -1.08 0.18 -0.51 -1.46 0.00 0.00 175.22 172.59 3ir5 s LEU 1089N 1.63 4.38 -0.52 6.12 1.43 -0.35 -4.63 118.68 126.75 3ir5 s LEU 1089Ca 0.08 0.40 0.07 0.00 -1.03 0.00 0.00 54.13 53.65 3ir5 s LEU 1089Cb -0.25 -2.47 0.32 0.00 0.03 0.00 0.00 46.19 43.81 3ir5 s LEU 1089CO 0.02 0.30 0.81 0.35 0.23 0.00 0.00 176.35 178.06 3ir5 n THR 1090N 1.25 1.76 -0.81 5.49 -2.24 -1.26 -1.77 114.28 116.70 3ir5 n THR 1090Ca -0.13 -5.11 -0.29 0.00 -2.27 0.00 0.00 64.05 56.24 3ir5 n THR 1090Cb 0.53 -1.31 0.20 0.00 -2.10 0.00 0.00 70.33 67.65 3ir5 n THR 1090CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3ir5 s PRO 1091N -2.80 0.14 0.05 -0.78 0.04 -1.26 -3.91 135.00 126.47 3ir5 s PRO 1091Ca 0.44 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 62.12 3ir5 s PRO 1091Cb 0.26 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 33.09 3ir5 s PRO 1091CO -0.10 -3.04 0.98 -1.01 0.04 0.00 0.00 177.00 173.87 3ir5 s HIS 1092N -2.67 3.72 1.05 0.56 3.76 -1.26 0.18 115.29 120.63 3ir5 s HIS 1092Ca 0.66 1.73 -0.12 0.00 -0.15 0.00 0.00 55.06 57.19 3ir5 s HIS 1092Cb -0.22 -3.10 0.22 0.00 1.11 0.00 0.00 32.58 30.59 3ir5 s HIS 1092CO 0.61 0.05 1.07 1.14 -0.85 0.00 0.00 174.74 176.75 3ir5 s GLN 1093N 0.57 -0.03 0.03 1.40 -2.07 -0.92 -4.73 119.66 113.90 3ir5 s GLN 1093Ca 0.50 0.91 0.22 0.00 -1.82 0.00 0.00 55.36 55.18 3ir5 s GLN 1093Cb -0.22 -1.65 -0.16 0.00 -1.09 0.00 0.00 33.01 29.89 3ir5 s GLN 1093CO 0.29 -3.15 0.79 1.17 -1.32 0.00 0.00 175.29 173.06 3ir5 n LYS 1094N -4.52 0.46 -1.17 9.60 4.81 -1.26 -4.35 118.16 121.72 3ir5 n LYS 1094Ca 0.05 -0.07 -0.18 0.00 -0.87 0.00 0.00 58.31 57.25 3ir5 n LYS 1094Cb 0.54 -1.59 0.15 0.00 0.02 0.00 0.00 35.03 34.16 3ir5 n LYS 1094CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 3ir5 n TRP 1095N -2.14 2.25 0.00 5.64 7.02 -1.26 -4.85 117.44 124.11 3ir5 n TRP 1095Ca -0.01 -2.02 0.00 0.00 -1.02 0.00 0.00 57.50 54.45 3ir5 n TRP 1095Cb 0.50 -0.79 0.00 0.00 -2.42 0.00 0.00 31.31 28.60 3ir5 n TRP 1095CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3ir5 n GLY 1096N -1.05 1.42 3.13 6.99 0.00 -1.26 -4.24 105.19 110.19 3ir5 n GLY 1096Ca 0.48 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 3ir5 n GLY 1096CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ir5 s ILE 1097N -2.00 3.39 0.00 -0.61 -1.09 -0.63 -4.62 121.20 115.64 3ir5 s ILE 1097Ca 0.00 -1.99 0.00 0.00 -2.23 0.00 0.00 60.65 56.43 3ir5 s ILE 1097Cb 0.00 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.59 3ir5 s ILE 1097CO 0.00 -0.67 0.00 1.41 -1.23 0.00 0.00 174.94 174.45 3ir5 n HIS 1098N 4.63 0.00 0.91 3.97 8.25 -1.26 -1.31 115.22 130.41 3ir5 n HIS 1098Ca -0.03 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.54 3ir5 n HIS 1098Cb 0.41 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.68 3ir5 n HIS 1098CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3ir5 n SER 1099N 5.12 0.61 -4.76 0.41 3.41 -1.25 -3.85 113.62 113.32 3ir5 n SER 1099Ca 0.00 -0.34 -0.41 0.00 -0.26 0.00 0.00 58.87 57.85 3ir5 n SER 1099Cb 0.00 0.44 -0.02 0.00 -0.26 0.00 0.00 64.21 64.37 3ir5 n SER 1099CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3ir5 s THR 1100N -3.04 2.69 0.00 6.66 2.01 -0.43 -1.39 115.64 122.14 3ir5 s THR 1100Ca 0.09 0.62 0.00 0.00 0.31 0.00 0.00 61.69 62.72 3ir5 s THR 1100Cb 0.17 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 69.28 3ir5 s THR 1100CO 0.74 0.12 0.00 -1.22 -0.69 0.00 0.00 174.62 173.57 3ir5 n TYR 1101N 1.68 0.00 0.05 4.92 4.02 -1.26 -1.60 117.16 124.97 3ir5 n TYR 1101Ca 0.04 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.03 3ir5 n TYR 1101Cb 0.41 0.00 0.56 0.00 -0.02 0.00 0.00 39.34 40.29 3ir5 n TYR 1101CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3ir5 h SER 1102N 0.00 0.22 -0.00 7.72 4.64 -1.40 0.29 113.55 125.01 3ir5 h SER 1102Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ir5 h SER 1102Cb 0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3ir5 h SER 1102CO 0.00 0.15 -0.02 -0.90 -0.87 0.00 0.00 176.83 175.18 3ir5 n ASP 1103N -4.47 1.78 -4.65 4.97 5.75 -1.26 -4.63 116.55 114.04 3ir5 n ASP 1103Ca 0.05 -1.56 -0.43 0.00 -0.01 0.00 0.00 54.79 52.84 3ir5 n ASP 1103Cb 0.27 0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.35 3ir5 n ASP 1103CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3ir5 s ASN 1104N -2.04 6.75 0.35 -1.12 3.84 0.10 -4.93 114.94 117.89 3ir5 s ASN 1104Ca 0.35 1.64 0.11 0.00 0.21 0.00 0.00 52.86 55.17 3ir5 s ASN 1104Cb 0.21 -2.54 0.90 0.00 -0.55 0.00 0.00 41.25 39.27 3ir5 s ASN 1104CO 0.34 -0.94 1.78 0.25 -2.79 0.00 0.00 177.10 175.74 3ir5 h LEU 1105N 10.39 0.63 -0.32 3.21 5.85 -1.89 0.56 115.31 133.74 3ir5 h LEU 1105Ca -0.29 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 3ir5 h LEU 1105Cb 1.12 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 3ir5 h LEU 1105CO 0.99 0.19 0.12 -0.07 -0.34 0.00 0.00 178.44 179.32 3ir5 h LEU 1106N 0.59 0.45 -0.47 2.25 3.38 -1.93 0.19 115.31 119.78 3ir5 h LEU 1106Ca 0.58 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 58.29 3ir5 h LEU 1106Cb 1.14 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 3ir5 h LEU 1106CO -0.34 0.51 -0.01 0.24 0.09 0.00 0.00 178.44 178.93 3ir5 h MET 1107N 0.36 0.83 -0.25 1.13 2.86 -1.47 -1.53 114.93 116.87 3ir5 h MET 1107Ca 0.10 -0.27 -0.05 0.00 -2.06 0.00 0.00 59.70 57.42 3ir5 h MET 1107Cb 0.21 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3ir5 h MET 1107CO -0.01 0.89 -0.07 -0.07 1.06 0.00 0.00 176.91 178.72 3ir5 h LEU 1108N 0.69 0.37 -0.13 1.22 3.38 -0.74 -0.72 115.31 119.37 3ir5 h LEU 1108Ca 0.13 -0.07 -0.23 0.00 0.09 0.00 0.00 57.88 57.80 3ir5 h LEU 1108Cb 0.52 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3ir5 h LEU 1108CO 0.03 0.49 -0.99 0.74 0.09 0.00 0.00 178.44 178.80 3ir5 h THR 1109N 0.38 1.43 0.00 0.22 2.02 -0.38 0.27 112.91 116.84 3ir5 h THR 1109Ca 0.08 -2.57 0.00 0.00 0.77 0.00 0.00 66.41 64.69 3ir5 h THR 1109Cb 0.36 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 3ir5 h THR 1109CO 0.02 0.76 -0.14 -0.07 0.37 0.00 0.00 175.52 176.45 3ir5 h LEU 1110N 0.19 0.00 0.00 2.58 -0.00 -1.10 -3.45 115.31 113.53 3ir5 h LEU 1110Ca -0.09 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 3ir5 h LEU 1110Cb 1.64 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.30 3ir5 h LEU 1110CO 0.17 0.01 0.00 0.61 -0.00 0.00 0.00 178.44 179.23 3ir5 n GLY 1111N 1.21 1.09 0.94 0.83 0.00 -0.29 -5.00 105.19 103.97 3ir5 n GLY 1111Ca 0.04 -0.80 0.03 0.00 0.00 0.00 0.00 46.02 45.29 3ir5 n GLY 1111CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ir5 n ARG 1112N 0.00 2.29 -1.00 1.61 5.12 -1.25 -4.97 116.66 118.45 3ir5 n ARG 1112Ca 0.00 -2.97 -0.00 0.00 -1.93 0.00 0.00 57.85 52.95 3ir5 n ARG 1112Cb 0.00 -1.80 -0.00 0.00 -1.16 0.00 0.00 32.46 29.50 3ir5 n ARG 1112CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ir5 n GLY 1113N -0.87 0.35 0.00 -0.13 0.00 0.08 -4.90 105.19 99.72 3ir5 n GLY 1113Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3ir5 n GLY 1113CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ir5 n GLY 1114N -1.73 -1.02 3.63 -0.02 0.00 -1.26 -4.85 105.19 99.93 3ir5 n GLY 1114Ca -0.00 -1.53 -0.52 0.00 0.00 0.00 0.00 46.02 43.96 3ir5 n GLY 1114CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ir5 n PRO 1115N -0.78 1.29 -4.04 1.61 -0.02 -1.26 -4.94 135.00 126.86 3ir5 n PRO 1115Ca 0.00 0.47 -0.09 0.00 -2.02 0.00 0.00 63.50 61.86 3ir5 n PRO 1115Cb 0.00 -2.14 -0.09 0.00 -0.02 0.00 0.00 33.50 31.25 3ir5 n PRO 1115CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3ir5 s VAL 1116N 1.26 0.12 -0.02 -1.45 -7.23 -1.26 -2.47 120.40 109.35 3ir5 s VAL 1116Ca 0.87 -1.63 0.01 0.00 -1.81 0.00 0.00 61.98 59.42 3ir5 s VAL 1116Cb -0.94 -1.80 0.01 0.00 0.56 0.00 0.00 36.38 34.21 3ir5 s VAL 1116CO 0.50 -0.53 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.03 3ir5 s VAL 1117N -3.98 0.39 -0.02 1.32 1.01 0.26 -4.58 120.40 114.80 3ir5 s VAL 1117Ca 0.17 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 61.82 3ir5 s VAL 1117Cb 0.06 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 3ir5 s VAL 1117CO -0.02 0.14 0.50 0.26 0.00 0.00 0.00 175.10 175.98 3ir5 s TRP 1118N 0.29 3.68 0.04 5.22 0.52 0.42 -0.16 118.94 128.95 3ir5 s TRP 1118Ca -0.03 1.07 0.02 0.00 0.02 0.00 0.00 56.10 57.19 3ir5 s TRP 1118Cb -0.07 -2.47 -0.02 0.00 -1.15 0.00 0.00 33.47 29.76 3ir5 s TRP 1118CO -0.00 0.44 -0.08 -0.51 0.02 0.00 0.00 176.95 176.82 3ir5 s LEU 1119N -0.44 2.24 0.58 2.99 1.43 0.14 -1.66 118.68 123.95 3ir5 s LEU 1119Ca 0.27 -0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 52.67 3ir5 s LEU 1119Cb -0.17 -0.21 -0.04 0.00 0.03 0.00 0.00 46.19 45.80 3ir5 s LEU 1119CO 0.15 -0.17 1.07 -0.94 0.23 0.00 0.00 176.35 176.68 3ir5 s SER 1120N -1.50 5.79 0.17 2.29 1.04 -1.26 -1.13 113.70 119.10 3ir5 s SER 1120Ca -0.08 1.91 -0.15 0.00 0.48 0.00 0.00 55.95 58.11 3ir5 s SER 1120Cb -0.09 -2.55 0.13 0.00 0.10 0.00 0.00 66.02 63.61 3ir5 s SER 1120CO 0.01 -1.16 1.71 -0.33 0.98 0.00 0.00 173.24 174.44 3ir5 h GLU 1121N 0.69 0.16 -0.72 4.02 5.08 -1.73 -1.21 114.58 120.87 3ir5 h GLU 1121Ca -0.48 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 57.94 3ir5 h GLU 1121Cb 1.23 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.39 3ir5 h GLU 1121CO 0.57 0.10 0.41 0.00 -1.00 0.00 0.00 179.01 179.09 3ir5 h ALA 1122N 1.35 0.97 -0.31 3.43 0.00 -1.92 0.15 119.26 122.94 3ir5 h ALA 1122Ca 0.21 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 3ir5 h ALA 1122Cb 0.28 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ir5 h ALA 1122CO -0.31 0.09 -0.49 -0.44 0.00 0.00 0.00 179.25 178.09 3ir5 h ASP 1123N 0.74 0.93 -0.21 0.00 3.45 -1.83 -2.12 116.42 117.38 3ir5 h ASP 1123Ca 0.32 -0.47 -0.03 0.00 0.43 0.00 0.00 57.03 57.28 3ir5 h ASP 1123Cb 0.21 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 3ir5 h ASP 1123CO -0.19 1.26 0.02 0.00 -1.57 0.00 0.00 179.24 178.76 3ir5 h ALA 1124N 0.76 0.28 -0.60 3.45 0.00 -0.75 -2.12 119.26 120.28 3ir5 h ALA 1124Ca 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3ir5 h ALA 1124Cb 1.08 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3ir5 h ALA 1124CO 0.11 -0.03 0.24 0.87 0.00 0.00 0.00 179.25 180.44 3ir5 h LYS 1125N 0.14 0.87 -0.77 0.00 1.57 -0.72 0.13 116.57 117.80 3ir5 h LYS 1125Ca 0.06 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 3ir5 h LYS 1125Cb 0.34 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3ir5 h LYS 1125CO 0.01 0.71 0.30 0.22 -0.57 0.00 0.00 179.45 180.12 3ir5 h ASP 1126N 0.86 1.06 -0.04 0.86 -0.00 -1.26 -2.61 116.42 115.29 3ir5 h ASP 1126Ca 0.20 -0.16 0.00 0.00 -0.00 0.00 0.00 57.03 57.07 3ir5 h ASP 1126Cb 0.17 -0.27 0.00 0.00 -0.00 0.00 0.00 39.33 39.23 3ir5 h ASP 1126CO -0.02 0.94 0.00 0.18 -0.00 0.00 0.00 179.24 180.34 3ir5 n LEU 1127N -4.28 1.11 -0.74 2.28 4.77 -0.81 -4.91 117.00 114.42 3ir5 n LEU 1127Ca 0.07 -0.39 -0.07 0.00 -0.03 0.00 0.00 56.01 55.58 3ir5 n LEU 1127Cb 0.19 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 3ir5 n LEU 1127CO 0.41 0.20 -0.09 0.61 -1.33 0.00 0.00 177.39 177.19 3ir5 n GLY 1128N 1.10 0.44 3.65 -0.72 0.00 -0.54 -4.58 105.19 104.54 3ir5 n GLY 1128Ca 0.19 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 3ir5 n GLY 1128CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ir5 s ILE 1129N -2.33 5.33 0.19 -0.61 1.01 0.35 -4.99 121.20 120.15 3ir5 s ILE 1129Ca 0.00 0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.92 3ir5 s ILE 1129Cb 0.00 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 3ir5 s ILE 1129CO 0.00 0.32 0.30 0.00 0.00 0.00 0.00 174.94 175.56 3ir5 s ALA 1130N 1.24 3.91 0.10 9.38 0.00 -1.26 -4.22 121.76 130.90 3ir5 s ALA 1130Ca 0.08 -1.14 -0.36 0.00 0.00 0.00 0.00 51.96 50.54 3ir5 s ALA 1130Cb -0.14 -1.71 -0.16 0.00 0.00 0.00 0.00 23.12 21.11 3ir5 s ALA 1130CO 0.06 0.40 1.35 -3.47 0.00 0.00 0.00 175.76 174.10 3ir5 n ASP 1131N -0.92 1.75 -0.52 0.00 2.03 -1.26 -1.39 116.55 116.24 3ir5 n ASP 1131Ca -0.08 1.12 -0.07 0.00 0.52 0.00 0.00 54.79 56.28 3ir5 n ASP 1131Cb 0.55 -1.21 -0.03 0.00 -0.72 0.00 0.00 41.12 39.72 3ir5 n ASP 1131CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3ir5 n ASN 1132N 2.56 -4.13 -4.82 1.67 5.15 0.17 -4.95 115.26 110.92 3ir5 n ASN 1132Ca 0.18 0.17 -0.33 0.00 -0.60 0.00 0.00 54.58 54.00 3ir5 n ASN 1132Cb 0.20 -2.22 -0.03 0.00 -0.53 0.00 0.00 39.78 37.20 3ir5 n ASN 1132CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3ir5 s ASP 1133N -2.68 6.39 0.01 1.20 -0.00 -0.49 -4.51 116.67 116.59 3ir5 s ASP 1133Ca 0.00 1.73 -0.30 0.00 -0.00 0.00 0.00 52.55 53.98 3ir5 s ASP 1133Cb 0.00 -2.53 -0.04 0.00 -0.00 0.00 0.00 42.92 40.35 3ir5 s ASP 1133CO 0.00 -0.74 1.10 0.26 -0.00 0.00 0.00 175.17 175.79 3ir5 s TRP 1134N -2.37 3.50 0.28 4.23 0.52 -1.26 -1.13 118.94 122.71 3ir5 s TRP 1134Ca 0.62 1.47 0.03 0.00 0.02 0.00 0.00 56.10 58.24 3ir5 s TRP 1134Cb -0.13 -3.29 -0.06 0.00 -1.15 0.00 0.00 33.47 28.85 3ir5 s TRP 1134CO 0.27 -0.71 0.04 0.96 0.02 0.00 0.00 176.95 177.53 3ir5 s ILE 1135N 1.27 1.05 -0.03 2.03 -4.36 -0.14 -0.72 121.20 120.30 3ir5 s ILE 1135Ca 0.55 -2.02 0.02 0.00 -0.26 0.00 0.00 60.65 58.94 3ir5 s ILE 1135Cb -0.25 -2.62 0.01 0.00 1.25 0.00 0.00 42.46 40.84 3ir5 s ILE 1135CO 0.27 -0.10 -0.07 -0.70 0.24 0.00 0.00 174.94 174.57 3ir5 s GLU 1136N -3.90 0.80 -0.11 0.37 2.12 -0.38 -2.61 118.70 114.99 3ir5 s GLU 1136Ca 0.34 -0.23 0.03 0.00 0.36 0.00 0.00 54.97 55.48 3ir5 s GLU 1136Cb 0.07 -0.77 0.00 0.00 0.26 0.00 0.00 34.13 33.70 3ir5 s GLU 1136CO 0.13 0.07 -0.23 0.08 -0.54 0.00 0.00 175.26 174.77 3ir5 s VAL 1137N 0.30 2.03 0.24 3.70 1.01 -0.94 -2.14 120.40 124.61 3ir5 s VAL 1137Ca -0.04 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 60.75 3ir5 s VAL 1137Cb -0.09 -1.77 0.03 0.00 0.00 0.00 0.00 36.38 34.54 3ir5 s VAL 1137CO 0.00 0.55 0.64 0.72 0.00 0.00 0.00 175.10 177.01 3ir5 s PHE 1138N 0.52 -0.16 0.00 5.22 -0.12 -0.48 -1.30 117.98 121.66 3ir5 s PHE 1138Ca -0.14 -0.24 0.00 0.00 -0.05 0.00 0.00 56.93 56.50 3ir5 s PHE 1138Cb -0.17 0.57 0.00 0.00 -0.63 0.00 0.00 43.02 42.79 3ir5 s PHE 1138CO 0.05 -1.10 0.00 0.27 -0.05 0.00 0.00 175.22 174.39 3ir5 n ASN 1139N -0.42 0.00 0.16 1.98 0.23 -0.81 -0.59 115.26 115.80 3ir5 n ASN 1139Ca -0.07 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.02 3ir5 n ASN 1139Cb 0.61 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.74 3ir5 n ASN 1139CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3ir5 h SER 1140N 0.00 0.15 1.61 0.53 0.02 -0.96 -3.01 113.55 111.89 3ir5 h SER 1140Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3ir5 h SER 1140Cb 0.00 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3ir5 h SER 1140CO 0.00 0.30 0.00 0.78 -1.14 0.00 0.00 176.83 176.77 3ir5 h ASN 1141N 0.15 0.00 -0.95 3.07 2.35 -1.83 -0.48 115.58 117.89 3ir5 h ASN 1141Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3ir5 h ASN 1141Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 3ir5 h ASN 1141CO 0.02 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.41 3ir5 n GLY 1142N 0.96 0.15 3.16 2.83 0.00 -0.55 -4.25 105.19 107.49 3ir5 n GLY 1142Ca 0.04 -1.57 -0.08 0.00 0.00 0.00 0.00 46.02 44.41 3ir5 n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ir5 s ALA 1143N -1.00 0.37 0.04 4.61 0.00 -1.25 -1.93 121.76 122.60 3ir5 s ALA 1143Ca 0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 50.85 3ir5 s ALA 1143Cb 0.00 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.60 3ir5 s ALA 1143CO 0.00 -0.46 -0.03 -0.48 0.00 0.00 0.00 175.76 174.79 3ir5 s LEU 1144N -2.94 2.42 0.07 0.00 0.05 -0.42 -1.67 118.68 116.19 3ir5 s LEU 1144Ca 0.11 -0.87 0.08 0.00 0.05 0.00 0.00 54.13 53.50 3ir5 s LEU 1144Cb 0.07 0.17 -0.03 0.00 -2.05 0.00 0.00 46.19 44.35 3ir5 s LEU 1144CO -0.07 -0.52 -0.21 0.42 -0.55 0.00 0.00 176.35 175.43 3ir5 s THR 1145N -3.28 1.67 0.08 5.48 -4.23 -1.24 -2.22 115.64 111.90 3ir5 s THR 1145Ca 0.01 -1.34 -0.26 0.00 -1.18 0.00 0.00 61.69 58.92 3ir5 s THR 1145Cb 0.03 -1.48 0.09 0.00 1.34 0.00 0.00 72.50 72.48 3ir5 s THR 1145CO -0.08 0.08 1.16 0.00 -0.54 0.00 0.00 174.62 175.25 3ir5 s ALA 1146N -0.96 -2.02 0.15 3.99 0.00 -1.07 -4.86 121.76 116.98 3ir5 s ALA 1146Ca 0.07 -0.07 0.04 0.00 0.00 0.00 0.00 51.96 51.99 3ir5 s ALA 1146Cb -0.09 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 3ir5 s ALA 1146CO 0.03 -1.10 0.18 1.03 0.00 0.00 0.00 175.76 175.90 3ir5 s ARG 1147N -2.17 3.09 0.22 0.00 0.52 -1.03 -0.97 118.95 118.61 3ir5 s ARG 1147Ca 0.24 -0.75 -0.12 0.00 -0.52 0.00 0.00 55.73 54.58 3ir5 s ARG 1147Cb -0.01 -2.77 -0.07 0.00 0.52 0.00 0.00 34.95 32.62 3ir5 s ARG 1147CO 0.02 0.51 0.58 0.00 0.02 0.00 0.00 175.30 176.42 3ir5 s ALA 1148N -1.71 3.54 -0.27 2.13 0.00 -0.28 -0.57 121.76 124.59 3ir5 s ALA 1148Ca 0.32 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.12 3ir5 s ALA 1148Cb -0.11 -2.51 0.07 0.00 0.00 0.00 0.00 23.12 20.57 3ir5 s ALA 1148CO 0.25 0.47 -0.05 0.08 0.00 0.00 0.00 175.76 176.51 3ir5 s VAL 1149N -1.73 1.89 -0.14 0.00 1.01 0.78 0.45 120.40 122.65 3ir5 s VAL 1149Ca 0.45 -1.61 -0.17 0.00 0.00 0.00 0.00 61.98 60.65 3ir5 s VAL 1149Cb -0.12 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3ir5 s VAL 1149CO 0.20 -0.20 0.45 -0.69 0.00 0.00 0.00 175.10 174.86 3ir5 s VAL 1150N 1.20 5.20 -0.00 2.92 1.01 -1.26 -0.69 120.40 128.78 3ir5 s VAL 1150Ca -0.03 0.88 -0.15 0.00 0.00 0.00 0.00 61.98 62.68 3ir5 s VAL 1150Cb -0.19 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.42 3ir5 s VAL 1150CO -0.07 0.31 0.32 -0.55 0.00 0.00 0.00 175.10 175.11 3ir5 s SER 1151N 0.69 -0.18 0.37 3.32 0.15 -0.29 -4.92 113.70 112.84 3ir5 s SER 1151Ca 0.24 0.03 0.20 0.00 0.70 0.00 0.00 55.95 57.12 3ir5 s SER 1151Cb -0.15 0.33 0.50 0.00 -1.71 0.00 0.00 66.02 64.99 3ir5 s SER 1151CO 0.09 -0.49 1.64 -0.61 1.20 0.00 0.00 173.24 175.07 3ir5 h GLN 1152N 3.69 0.00 0.00 5.44 4.15 -1.95 -2.77 115.11 123.68 3ir5 h GLN 1152Ca -0.30 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.12 3ir5 h GLN 1152Cb 1.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.87 3ir5 h GLN 1152CO 0.41 0.32 0.00 2.89 -1.93 0.00 0.00 178.83 180.52 3ir5 n ARG 1153N -3.29 0.44 -3.53 1.69 1.85 -1.26 -4.62 116.66 107.94 3ir5 n ARG 1153Ca 0.01 0.04 -0.38 0.00 -1.00 0.00 0.00 57.85 56.52 3ir5 n ARG 1153Cb 0.57 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.37 3ir5 n ARG 1153CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3ir5 s VAL 1154N -2.45 5.27 0.32 8.89 1.01 -1.23 -2.41 120.40 129.81 3ir5 s VAL 1154Ca 0.26 0.25 -0.29 0.00 0.00 0.00 0.00 61.98 62.21 3ir5 s VAL 1154Cb 0.17 -3.59 -0.10 0.00 0.00 0.00 0.00 36.38 32.85 3ir5 s VAL 1154CO 0.35 0.20 1.20 -2.16 0.00 0.00 0.00 175.10 174.69 3ir5 s PRO 1155N 1.85 4.44 0.43 2.72 0.04 -1.26 -4.21 135.00 139.00 3ir5 s PRO 1155Ca 0.09 1.99 -0.24 0.00 0.04 0.00 0.00 61.00 62.88 3ir5 s PRO 1155Cb -0.16 -3.07 -0.10 0.00 0.04 0.00 0.00 34.50 31.20 3ir5 s PRO 1155CO 0.11 -0.03 1.04 0.00 0.04 0.00 0.00 177.00 178.16 3ir5 n ALA 1156N 0.88 0.30 0.00 8.56 0.00 -1.26 -2.65 120.51 126.34 3ir5 n ALA 1156Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3ir5 n ALA 1156Cb 0.44 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.78 3ir5 n ALA 1156CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ir5 n GLY 1157N 1.15 2.63 3.41 0.00 0.00 -1.26 -5.06 105.19 106.06 3ir5 n GLY 1157Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 3ir5 n GLY 1157CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3ir5 s MET 1158N -0.25 1.47 0.10 1.61 0.23 -1.08 -1.31 119.30 120.06 3ir5 s MET 1158Ca 0.00 -1.46 0.05 0.00 -1.03 0.00 0.00 55.69 53.25 3ir5 s MET 1158Cb 0.00 -1.85 -0.03 0.00 -1.53 0.00 0.00 34.83 31.42 3ir5 s MET 1158CO 0.00 0.41 -0.13 -0.08 -2.03 0.00 0.00 175.02 173.19 3ir5 s THR 1159N -1.47 1.16 -0.06 3.16 -1.32 0.27 -4.39 115.64 112.99 3ir5 s THR 1159Ca 0.18 -1.56 -0.01 0.00 -1.21 0.00 0.00 61.69 59.09 3ir5 s THR 1159Cb -0.09 -1.33 0.03 0.00 -1.51 0.00 0.00 72.50 69.60 3ir5 s THR 1159CO 0.08 -0.38 0.01 -0.04 -2.21 0.00 0.00 174.62 172.08 3ir5 s MET 1160N -2.37 0.47 -0.50 7.08 -1.94 -0.67 -1.21 119.30 120.16 3ir5 s MET 1160Ca 0.04 0.16 -0.03 0.00 -1.71 0.00 0.00 55.69 54.15 3ir5 s MET 1160Cb -0.06 -0.86 0.13 0.00 2.01 0.00 0.00 34.83 36.05 3ir5 s MET 1160CO 0.02 -0.30 0.30 1.41 -0.01 0.00 0.00 175.02 176.44 3ir5 s MET 1161N 1.96 2.23 0.17 2.03 1.75 -0.73 -0.44 119.30 126.27 3ir5 s MET 1161Ca 0.04 -2.12 -0.33 0.00 -1.25 0.00 0.00 55.69 52.03 3ir5 s MET 1161Cb -0.12 -3.64 -0.15 0.00 2.84 0.00 0.00 34.83 33.75 3ir5 s MET 1161CO -0.05 -1.12 1.23 0.66 -0.65 0.00 0.00 175.02 175.10 3ir5 n TYR 1162N 4.13 1.48 -2.45 4.11 4.01 -1.26 -4.37 117.16 122.80 3ir5 n TYR 1162Ca 0.02 0.63 -0.37 0.00 -0.16 0.00 0.00 57.90 58.01 3ir5 n TYR 1162Cb 0.40 -2.32 -0.03 0.00 -0.31 0.00 0.00 39.34 37.07 3ir5 n TYR 1162CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3ir5 s HIS 1163N -0.06 3.22 0.00 -0.72 5.65 0.48 -4.33 115.29 119.53 3ir5 s HIS 1163Ca 0.74 1.62 0.00 0.00 0.25 0.00 0.00 55.06 57.67 3ir5 s HIS 1163Cb -0.83 -3.23 0.00 0.00 -1.18 0.00 0.00 32.58 27.34 3ir5 s HIS 1163CO 0.51 -0.86 0.00 0.00 -0.65 0.00 0.00 174.74 173.74 3ir5 n ALA 1164N 0.07 0.00 0.08 1.58 0.00 -1.25 -2.17 120.51 118.82 3ir5 n ALA 1164Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.50 3ir5 n ALA 1164Cb 0.48 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.96 3ir5 n ALA 1164CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ir5 n GLN 1165N 0.00 0.62 0.00 0.00 6.02 -1.26 -3.77 117.38 118.99 3ir5 n GLN 1165Ca 0.00 -1.03 0.00 0.00 -0.01 0.00 0.00 57.00 55.96 3ir5 n GLN 1165Cb 0.00 -1.07 0.00 0.00 1.02 0.00 0.00 30.24 30.19 3ir5 n GLN 1165CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 3ir5 n GLU 1166N 0.08 0.00 -0.92 -1.09 0.28 -1.26 -4.69 120.64 113.04 3ir5 n GLU 1166Ca 0.03 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.95 3ir5 n GLU 1166Cb 0.16 0.00 0.24 0.00 1.43 0.00 0.00 31.44 33.27 3ir5 n GLU 1166CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 3ir5 n ARG 1167N -0.12 2.77 -0.00 3.44 0.63 -1.26 -4.66 116.66 117.46 3ir5 n ARG 1167Ca 0.00 -3.06 0.02 0.00 -0.92 0.00 0.00 57.85 53.89 3ir5 n ARG 1167Cb 0.00 -2.04 -0.03 0.00 0.45 0.00 0.00 32.46 30.84 3ir5 n ARG 1167CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 3ir5 n ILE 1168N -0.69 0.00 -5.08 5.15 -5.35 -1.26 -4.97 119.36 107.15 3ir5 n ILE 1168Ca 0.40 -0.25 -0.30 0.00 -0.27 0.00 0.00 62.75 62.33 3ir5 n ILE 1168Cb 1.28 0.71 -0.17 0.00 -1.74 0.00 0.00 39.64 39.73 3ir5 n ILE 1168CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3ir5 s VAL 1169N -1.83 1.82 -1.42 7.28 1.01 -1.26 -4.86 120.40 121.14 3ir5 s VAL 1169Ca 0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 3ir5 s VAL 1169Cb 0.03 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.85 3ir5 s VAL 1169CO 0.17 0.51 0.36 -3.20 0.00 0.00 0.00 175.10 172.94 3ir5 n ASN 1170N 3.24 -0.30 -4.07 3.32 5.15 -1.26 -4.46 115.26 116.88 3ir5 n ASN 1170Ca -0.19 -1.06 -0.32 0.00 -0.60 0.00 0.00 54.58 52.42 3ir5 n ASN 1170Cb 0.52 -2.80 -0.16 0.00 -0.53 0.00 0.00 39.78 36.82 3ir5 n ASN 1170CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3ir5 s LEU 1171N -7.03 1.98 0.78 1.20 1.43 -1.26 -4.66 118.68 111.12 3ir5 s LEU 1171Ca 0.02 -0.61 -0.08 0.00 -1.03 0.00 0.00 54.13 52.44 3ir5 s LEU 1171Cb -0.01 -1.34 0.11 0.00 0.03 0.00 0.00 46.19 44.99 3ir5 s LEU 1171CO 0.91 -0.04 1.09 -2.16 0.23 0.00 0.00 176.35 176.39 3ir5 s PRO 1172N 1.38 1.66 0.51 1.29 0.04 -1.26 -4.68 135.00 133.94 3ir5 s PRO 1172Ca 0.04 -0.49 -0.21 0.00 0.04 0.00 0.00 61.00 60.38 3ir5 s PRO 1172Cb -0.13 -2.12 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 3ir5 s PRO 1172CO -0.12 -1.61 1.18 0.20 0.04 0.00 0.00 177.00 176.69 3ir5 s GLY 1173N -4.67 2.73 0.16 0.56 0.00 0.15 -1.32 107.32 104.93 3ir5 s GLY 1173Ca 0.65 0.94 -0.21 0.00 0.00 0.00 0.00 44.72 46.10 3ir5 s GLY 1173CO 0.47 1.36 0.70 -0.45 0.00 0.00 0.00 173.10 175.18 3ir5 s SER 1174N -1.50 7.18 0.10 1.64 0.15 0.17 -4.55 113.70 116.89 3ir5 s SER 1174Ca 0.69 1.45 0.26 0.00 0.70 0.00 0.00 55.95 59.06 3ir5 s SER 1174Cb -0.28 -2.43 0.72 0.00 -1.71 0.00 0.00 66.02 62.31 3ir5 s SER 1174CO 0.33 0.17 1.61 -0.62 1.20 0.00 0.00 173.24 175.93 3ir5 n GLU 1175N 1.31 0.17 0.05 5.44 1.02 -1.26 -1.44 120.64 125.93 3ir5 n GLU 1175Ca -0.06 0.09 -0.18 0.00 -0.02 0.00 0.00 57.16 56.99 3ir5 n GLU 1175Cb 0.50 -1.65 -0.14 0.00 -0.02 0.00 0.00 31.44 30.13 3ir5 n GLU 1175CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3ir5 h ILE 1176N 0.00 0.97 0.00 -3.67 1.08 -1.93 -3.40 117.51 110.56 3ir5 h ILE 1176Ca 0.00 -2.63 0.00 0.00 -0.39 0.00 0.00 64.86 61.84 3ir5 h ILE 1176Cb 0.65 2.68 0.00 0.00 -3.07 0.00 0.00 36.82 37.08 3ir5 h ILE 1176CO 0.00 0.81 -1.16 0.35 -0.69 0.00 0.00 178.15 177.46 3ir5 n THR 1177N -3.45 0.00 -1.19 -0.27 -2.24 -1.25 -4.98 114.28 100.90 3ir5 n THR 1177Ca -0.21 -0.24 -0.07 0.00 -2.27 0.00 0.00 64.05 61.26 3ir5 n THR 1177Cb 1.05 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 69.75 3ir5 n THR 1177CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ir5 n GLN 1178N -1.66 -0.85 -4.69 -0.78 1.13 -0.52 -4.98 117.38 105.03 3ir5 n GLN 1178Ca -0.01 0.64 -0.33 0.00 -1.94 0.00 0.00 57.00 55.36 3ir5 n GLN 1178Cb 0.23 -4.52 -0.06 0.00 0.11 0.00 0.00 30.24 26.00 3ir5 n GLN 1178CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3ir5 s GLN 1179N -2.18 2.23 0.34 -1.09 -0.21 -1.25 -4.86 119.66 112.64 3ir5 s GLN 1179Ca 0.00 -2.41 -0.29 0.00 0.02 0.00 0.00 55.36 52.68 3ir5 s GLN 1179Cb 0.00 -1.57 -0.11 0.00 1.00 0.00 0.00 33.01 32.32 3ir5 s GLN 1179CO 0.00 -0.44 1.53 -2.13 -2.12 0.00 0.00 175.29 172.13 3ir5 n ARG 1180N -1.36 2.68 -1.54 2.91 3.00 -1.26 0.44 116.66 121.53 3ir5 n ARG 1180Ca -0.20 0.95 -0.37 0.00 -0.00 0.00 0.00 57.85 58.23 3ir5 n ARG 1180Cb 0.67 -2.70 0.05 0.00 0.00 0.00 0.00 32.46 30.48 3ir5 n ARG 1180CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3ir5 n GLY 1181N 1.21 -0.74 0.00 5.14 0.00 -0.44 -4.55 105.19 105.81 3ir5 n GLY 1181Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3ir5 n GLY 1181CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ir5 n GLY 1182N 1.44 0.25 3.85 -0.02 0.00 -0.67 -4.74 105.19 105.30 3ir5 n GLY 1182Ca 0.13 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.01 3ir5 n GLY 1182CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ir5 s ILE 1183N 0.27 1.25 0.59 -0.61 -4.36 -1.26 -3.70 121.20 113.37 3ir5 s ILE 1183Ca 0.00 -1.76 0.29 0.00 -0.26 0.00 0.00 60.65 58.93 3ir5 s ILE 1183Cb 0.00 -2.00 0.36 0.00 1.25 0.00 0.00 42.46 42.06 3ir5 s ILE 1183CO 0.00 0.00 2.22 1.12 0.24 0.00 0.00 174.94 178.52 3ir5 h HIS 1184N 0.99 0.00 -0.48 1.37 2.07 -1.93 0.12 115.15 117.29 3ir5 h HIS 1184Ca -0.40 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.12 3ir5 h HIS 1184Cb 1.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.30 3ir5 h HIS 1184CO 1.38 0.00 0.00 0.09 -3.07 0.00 0.00 177.93 176.33 3ir5 n ASN 1185N -3.83 2.62 0.17 3.10 3.02 -1.26 -3.48 115.26 115.60 3ir5 n ASN 1185Ca -0.02 -2.02 0.13 0.00 -0.03 0.00 0.00 54.58 52.63 3ir5 n ASN 1185Cb 0.14 -0.33 0.30 0.00 -0.61 0.00 0.00 39.78 39.27 3ir5 n ASN 1185CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3ir5 h SER 1186N 2.79 0.00 -0.35 6.41 0.02 -1.05 -0.53 113.55 120.84 3ir5 h SER 1186Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ir5 h SER 1186Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 3ir5 h SER 1186CO 0.01 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 177.03 3ir5 n VAL 1187N -2.72 0.80 -4.06 2.27 0.24 -1.23 -1.49 118.33 112.15 3ir5 n VAL 1187Ca 0.05 -0.90 -0.23 0.00 -2.04 0.00 0.00 64.34 61.21 3ir5 n VAL 1187Cb 0.47 0.66 -0.06 0.00 -1.47 0.00 0.00 33.84 33.44 3ir5 n VAL 1187CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3ir5 s THR 1188N -1.03 2.77 -0.11 3.34 -4.23 -1.22 -4.73 115.64 110.43 3ir5 s THR 1188Ca 0.27 -1.67 -0.19 0.00 -1.18 0.00 0.00 61.69 58.92 3ir5 s THR 1188Cb 0.14 -2.98 0.04 0.00 1.34 0.00 0.00 72.50 71.05 3ir5 s THR 1188CO 0.19 -0.12 0.47 -0.60 -0.54 0.00 0.00 174.62 174.03 3ir5 s ARG 1189N -3.89 0.68 0.17 3.99 3.52 -1.26 -2.70 118.95 119.47 3ir5 s ARG 1189Ca 0.40 0.37 -0.30 0.00 -0.13 0.00 0.00 55.73 56.06 3ir5 s ARG 1189Cb -0.01 0.32 -0.08 0.00 -1.56 0.00 0.00 34.95 33.63 3ir5 s ARG 1189CO 0.23 -0.15 1.23 0.42 -0.81 0.00 0.00 175.30 176.23 3ir5 s ILE 1190N -0.43 3.53 -0.21 4.11 1.01 -1.26 -4.89 121.20 123.06 3ir5 s ILE 1190Ca -0.06 1.25 -0.04 0.00 0.00 0.00 0.00 60.65 61.79 3ir5 s ILE 1190Cb -0.03 -3.80 0.08 0.00 0.01 0.00 0.00 42.46 38.72 3ir5 s ILE 1190CO 0.03 0.18 0.12 -0.89 0.00 0.00 0.00 174.94 174.39 3ir5 s THR 1191N 0.17 -0.12 0.80 2.92 2.01 -1.26 -4.86 115.64 115.29 3ir5 s THR 1191Ca 0.55 -0.32 -0.11 0.00 0.31 0.00 0.00 61.69 62.11 3ir5 s THR 1191Cb -0.33 -0.70 0.07 0.00 0.01 0.00 0.00 72.50 71.55 3ir5 s THR 1191CO 0.36 -0.39 1.09 -2.16 -0.69 0.00 0.00 174.62 172.83 3ir5 s PRO 1192N 2.16 2.04 -0.11 4.92 0.04 -1.26 -4.80 135.00 137.98 3ir5 s PRO 1192Ca 0.05 0.74 -0.00 0.00 0.04 0.00 0.00 61.00 61.82 3ir5 s PRO 1192Cb -0.16 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.50 3ir5 s PRO 1192CO -0.17 -1.68 -0.08 0.21 0.04 0.00 0.00 177.00 175.32 3ir5 s LYS 1193N -5.09 1.54 0.30 4.56 2.20 -1.26 -5.05 119.74 116.95 3ir5 s LYS 1193Ca 0.61 -0.26 0.05 0.00 -0.36 0.00 0.00 55.97 56.01 3ir5 s LYS 1193Cb -0.15 -1.60 0.80 0.00 -1.51 0.00 0.00 37.83 35.38 3ir5 s LYS 1193CO 0.55 -0.27 1.64 -1.35 -0.36 0.00 0.00 175.35 175.57 3ir5 h PRO 1194N 8.17 0.21 -0.05 4.03 0.11 -1.98 0.13 132.00 142.63 3ir5 h PRO 1194Ca -0.30 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.81 3ir5 h PRO 1194Cb 1.13 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3ir5 h PRO 1194CO 0.41 0.14 0.24 1.79 -0.21 0.00 0.00 178.00 180.37 3ir5 h THR 1195N 0.22 0.08 -0.07 -1.15 1.35 -1.97 0.27 112.91 111.64 3ir5 h THR 1195Ca 0.60 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.46 3ir5 h THR 1195Cb 1.26 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3ir5 h THR 1195CO -0.66 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.02 3ir5 n HIS 1196N -3.10 0.07 0.74 4.73 8.25 0.46 -3.93 115.22 122.44 3ir5 n HIS 1196Ca -0.01 -0.04 0.08 0.00 -0.26 0.00 0.00 57.72 57.50 3ir5 n HIS 1196Cb 0.31 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.45 3ir5 n HIS 1196CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3ir5 n MET 1197N 0.54 1.56 -1.94 -0.41 2.81 0.96 -3.04 117.12 117.59 3ir5 n MET 1197Ca 0.17 -1.16 -0.42 0.00 -1.81 0.00 0.00 57.70 54.49 3ir5 n MET 1197Cb 0.42 -1.31 -0.03 0.00 -0.71 0.00 0.00 33.22 31.59 3ir5 n MET 1197CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3ir5 s ILE 1198N -1.74 2.59 0.21 2.02 1.01 -1.23 -4.61 121.20 119.46 3ir5 s ILE 1198Ca 0.17 0.45 0.04 0.00 0.00 0.00 0.00 60.65 61.31 3ir5 s ILE 1198Cb 0.14 -3.29 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 3ir5 s ILE 1198CO 0.33 0.05 0.19 0.61 0.00 0.00 0.00 174.94 176.12 3ir5 n GLY 1199N 3.24 3.24 3.78 6.18 0.00 -1.20 -4.38 105.19 116.05 3ir5 n GLY 1199Ca 0.12 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.06 3ir5 n GLY 1199CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ir5 n GLY 1200N -0.40 -0.48 2.68 -0.02 0.00 -1.19 -4.80 105.19 100.99 3ir5 n GLY 1200Ca 0.04 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 3ir5 n GLY 1200CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ir5 s TYR 1201N -3.15 -0.36 0.00 1.61 5.04 -1.00 -2.60 117.35 116.89 3ir5 s TYR 1201Ca 0.59 -1.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.09 3ir5 s TYR 1201Cb -0.31 -0.30 0.00 0.00 0.35 0.00 0.00 41.96 41.70 3ir5 s TYR 1201CO 0.72 -1.03 0.00 0.00 -1.34 0.00 0.00 175.55 173.90 3ir5 n ALA 1202N 3.46 0.00 0.30 3.97 0.00 -0.80 0.78 120.51 128.21 3ir5 n ALA 1202Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.76 3ir5 n ALA 1202Cb 0.50 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.59 3ir5 n ALA 1202CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3ir5 h HIS 1203N 0.00 0.00 -2.42 0.00 2.07 -1.88 -3.15 115.15 109.78 3ir5 h HIS 1203Ca 0.00 0.00 -0.76 0.00 -2.85 0.00 0.00 60.37 56.76 3ir5 h HIS 1203Cb 0.00 0.00 -0.30 0.00 2.57 0.00 0.00 27.41 29.68 3ir5 h HIS 1203CO 0.00 0.00 0.63 1.28 -3.07 0.00 0.00 177.93 176.77 3ir5 n LEU 1204N -2.47 6.49 -4.32 6.12 4.77 0.23 -4.75 117.00 123.08 3ir5 n LEU 1204Ca 0.00 -5.39 -0.18 0.00 -0.03 0.00 0.00 56.01 50.41 3ir5 n LEU 1204Cb 0.16 -1.07 -0.10 0.00 -2.33 0.00 0.00 43.42 40.07 3ir5 n LEU 1204CO 0.18 2.01 -0.44 0.00 -1.33 0.00 0.00 177.39 177.80 3ir5 s ALA 1205N -3.71 1.86 0.80 -1.18 0.00 -1.19 -2.36 121.76 115.98 3ir5 s ALA 1205Ca 0.38 -1.57 -0.11 0.00 0.00 0.00 0.00 51.96 50.66 3ir5 s ALA 1205Cb 0.16 -0.07 0.07 0.00 0.00 0.00 0.00 23.12 23.29 3ir5 s ALA 1205CO -0.06 0.06 1.09 -0.47 0.00 0.00 0.00 175.76 176.38 3ir5 s TYR 1206N -2.84 2.58 -0.29 0.00 6.14 -1.11 -4.34 117.35 117.48 3ir5 s TYR 1206Ca 0.19 1.41 -0.22 0.00 0.64 0.00 0.00 57.07 59.10 3ir5 s TYR 1206Cb -0.01 -3.07 0.17 0.00 0.42 0.00 0.00 41.96 39.47 3ir5 s TYR 1206CO 0.05 -1.91 1.21 0.20 0.64 0.00 0.00 175.55 175.74 3ir5 s GLY 1207N -3.49 0.20 -0.20 8.97 0.00 -1.26 -0.26 107.32 111.28 3ir5 s GLY 1207Ca 0.61 3.28 -0.35 0.00 0.00 0.00 0.00 44.72 48.27 3ir5 s GLY 1207CO 0.56 2.19 1.98 0.33 0.00 0.00 0.00 173.10 178.16 3ir5 n PHE 1208N 2.44 2.06 -0.58 1.90 -0.00 -1.26 0.44 117.46 122.46 3ir5 n PHE 1208Ca -0.14 0.14 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3ir5 n PHE 1208Cb 0.57 -2.61 0.00 0.00 -0.00 0.00 0.00 39.48 37.44 3ir5 n PHE 1208CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3ir5 n ASN 1209N 7.82 0.00 0.14 -2.13 3.02 -1.26 -4.81 115.26 118.04 3ir5 n ASN 1209Ca 0.29 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.59 3ir5 n ASN 1209Cb 0.27 -1.23 -0.16 0.00 -0.61 0.00 0.00 39.78 38.05 3ir5 n ASN 1209CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3ir5 h TYR 1210N 0.00 0.95 -3.37 3.10 5.03 -0.40 -3.43 116.97 118.85 3ir5 h TYR 1210Ca 0.00 -0.69 -0.04 0.00 2.58 0.00 0.00 58.73 60.58 3ir5 h TYR 1210Cb 0.00 -0.04 -0.12 0.00 1.55 0.00 0.00 36.73 38.13 3ir5 h TYR 1210CO 0.00 1.59 -0.03 -0.47 -1.32 0.00 0.00 178.16 177.93 3ir5 s TYR 1211N -2.60 -0.15 0.00 -3.82 5.04 -1.15 -4.68 117.35 109.99 3ir5 s TYR 1211Ca -0.10 -0.18 0.00 0.00 -2.44 0.00 0.00 57.07 54.35 3ir5 s TYR 1211Cb 0.04 0.31 0.00 0.00 0.35 0.00 0.00 41.96 42.66 3ir5 s TYR 1211CO 0.93 -0.80 0.00 0.41 -1.34 0.00 0.00 175.55 174.75 3ir5 n GLY 1212N -0.28 2.18 3.76 8.97 0.00 -1.21 -4.62 105.19 113.97 3ir5 n GLY 1212Ca -0.13 -1.67 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 3ir5 n GLY 1212CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ir5 s THR 1213N -1.74 2.38 0.13 2.61 -4.23 -1.17 -4.80 115.64 108.82 3ir5 s THR 1213Ca 0.00 0.29 0.08 0.00 -1.18 0.00 0.00 61.69 60.88 3ir5 s THR 1213Cb 0.00 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.65 3ir5 s THR 1213CO 0.00 0.00 -0.12 0.68 -0.54 0.00 0.00 174.62 174.65 3ir5 s VAL 1214N -1.36 3.22 -1.24 2.29 -7.23 -1.26 -4.41 120.40 110.41 3ir5 s VAL 1214Ca 0.68 -1.41 -0.06 0.00 -1.81 0.00 0.00 61.98 59.38 3ir5 s VAL 1214Cb -0.37 -2.52 0.18 0.00 0.56 0.00 0.00 36.38 34.23 3ir5 s VAL 1214CO 0.45 0.06 2.08 0.61 -0.31 0.00 0.00 175.10 177.98 3ir5 n GLY 1215N 0.56 5.25 3.69 2.32 0.00 -1.09 -4.76 105.19 111.16 3ir5 n GLY 1215Ca -0.13 -2.21 -0.32 0.00 0.00 0.00 0.00 46.02 43.36 3ir5 n GLY 1215CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ir5 s SER 1216N -0.00 3.30 0.00 1.61 1.04 -1.26 -4.57 113.70 113.82 3ir5 s SER 1216Ca 0.46 2.20 0.00 0.00 0.48 0.00 0.00 55.95 59.08 3ir5 s SER 1216Cb 0.15 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.70 3ir5 s SER 1216CO -0.05 -2.85 0.00 -0.46 0.98 0.00 0.00 173.24 170.85 3ir5 n ASN 1217N -3.87 0.00 0.14 7.02 0.23 -0.17 -4.81 115.26 113.80 3ir5 n ASN 1217Ca 0.12 -0.79 0.13 0.00 -0.53 0.00 0.00 54.58 53.51 3ir5 n ASN 1217Cb 0.52 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.67 3ir5 n ASN 1217CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 3ir5 h ARG 1218N 0.00 0.00 0.00 -3.83 2.47 -1.22 -3.12 114.38 108.67 3ir5 h ARG 1218Ca 0.00 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.68 3ir5 h ARG 1218Cb 0.40 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 3ir5 h ARG 1218CO 0.00 0.00 -0.20 -0.44 0.56 0.00 0.00 179.97 179.89 3ir5 h ASP 1219N 0.00 0.00 -2.72 7.04 5.19 -1.87 -3.43 116.42 120.62 3ir5 h ASP 1219Ca 0.00 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.82 3ir5 h ASP 1219Cb 0.58 0.00 0.13 0.00 0.18 0.00 0.00 39.33 40.22 3ir5 h ASP 1219CO 0.00 0.20 -0.02 1.21 -3.12 0.00 0.00 179.24 177.50 3ir5 n GLU 1220N -3.29 1.08 -4.46 3.56 4.07 -1.18 -4.80 120.64 115.63 3ir5 n GLU 1220Ca 0.01 0.39 -0.25 0.00 -0.06 0.00 0.00 57.16 57.24 3ir5 n GLU 1220Cb 0.46 -1.83 -0.13 0.00 -0.06 0.00 0.00 31.44 29.87 3ir5 n GLU 1220CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 3ir5 s PHE 1221N -1.30 1.86 0.23 4.31 0.08 -1.26 -1.44 117.98 120.46 3ir5 s PHE 1221Ca 0.63 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 57.29 3ir5 s PHE 1221Cb -0.60 -1.06 -0.05 0.00 -0.57 0.00 0.00 43.02 40.75 3ir5 s PHE 1221CO 0.57 0.17 0.10 0.14 -0.10 0.00 0.00 175.22 176.10 3ir5 s VAL 1222N -1.00 0.35 -0.15 -0.44 -7.23 -0.01 -4.69 120.40 107.23 3ir5 s VAL 1222Ca 0.08 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.21 3ir5 s VAL 1222Cb -0.10 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 3ir5 s VAL 1222CO 0.03 -0.05 0.00 -0.69 -0.31 0.00 0.00 175.10 174.08 3ir5 s VAL 1223N -3.91 4.27 0.06 1.32 1.01 0.24 -0.32 120.40 123.07 3ir5 s VAL 1223Ca 0.37 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.21 3ir5 s VAL 1223Cb 0.07 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 3ir5 s VAL 1223CO 0.12 0.51 -0.24 -0.69 0.00 0.00 0.00 175.10 174.80 3ir5 s VAL 1224N 0.07 2.33 0.05 2.92 1.01 0.04 -1.39 120.40 125.43 3ir5 s VAL 1224Ca 0.02 -1.41 -0.27 0.00 0.00 0.00 0.00 61.98 60.32 3ir5 s VAL 1224Cb -0.13 -1.95 0.08 0.00 0.00 0.00 0.00 36.38 34.37 3ir5 s VAL 1224CO 0.02 0.31 0.68 0.00 0.00 0.00 0.00 175.10 176.10 3ir5 s ARG 1225N -1.45 1.12 0.17 2.72 1.70 -0.91 -2.16 118.95 120.14 3ir5 s ARG 1225Ca 0.13 -0.15 -0.30 0.00 -0.47 0.00 0.00 55.73 54.94 3ir5 s ARG 1225Cb -0.10 0.52 -0.07 0.00 -0.57 0.00 0.00 34.95 34.73 3ir5 s ARG 1225CO 0.04 -0.44 0.98 0.21 -1.08 0.00 0.00 175.30 175.01 3ir5 s LYS 1226N -2.61 4.74 0.69 3.89 2.20 -1.26 -1.24 119.74 126.14 3ir5 s LYS 1226Ca -0.03 1.52 -0.12 0.00 -0.36 0.00 0.00 55.97 56.98 3ir5 s LYS 1226Cb -0.01 -3.32 0.01 0.00 -1.51 0.00 0.00 37.83 33.00 3ir5 s LYS 1226CO -0.03 0.30 1.06 -1.64 -0.36 0.00 0.00 175.35 174.68 3ir5 s MET 1227N -0.52 2.92 0.00 4.03 -1.94 0.10 -4.78 119.30 119.10 3ir5 s MET 1227Ca 0.45 1.02 0.00 0.00 -1.71 0.00 0.00 55.69 55.45 3ir5 s MET 1227Cb -0.25 -1.99 0.00 0.00 2.01 0.00 0.00 34.83 34.60 3ir5 s MET 1227CO 0.32 -1.12 0.00 1.17 -0.01 0.00 0.00 175.02 175.38 3ir5 n LYS 1228N -3.00 0.00 -3.15 2.03 3.00 -1.26 -4.59 118.16 111.19 3ir5 n LYS 1228Ca 0.08 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 58.00 3ir5 n LYS 1228Cb 0.53 -0.17 -0.05 0.00 0.00 0.00 0.00 35.03 35.34 3ir5 n LYS 1228CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3ir5 s ASN 1229N -2.81 7.03 -0.51 3.14 0.01 -1.26 0.55 114.94 121.09 3ir5 s ASN 1229Ca 0.00 1.22 0.01 0.00 -0.71 0.00 0.00 52.86 53.39 3ir5 s ASN 1229Cb 0.00 -2.39 0.13 0.00 0.41 0.00 0.00 41.25 39.40 3ir5 s ASN 1229CO 0.00 0.07 0.27 -0.63 -1.51 0.00 0.00 177.10 175.30 3ir5 s ILE 1230N -0.10 2.94 -0.18 0.60 1.09 0.78 -4.86 121.20 121.47 3ir5 s ILE 1230Ca 0.33 -2.95 -0.07 0.00 -1.10 0.00 0.00 60.65 56.86 3ir5 s ILE 1230Cb -0.19 -3.01 -0.04 0.00 -1.06 0.00 0.00 42.46 38.16 3ir5 s ILE 1230CO 0.18 -0.78 0.06 -1.81 -0.10 0.00 0.00 174.94 172.50 3ir5 s ASP 1231N 0.38 5.65 0.00 3.58 1.01 -1.26 -1.09 116.67 124.94 3ir5 s ASP 1231Ca 0.15 0.09 0.26 0.00 0.71 0.00 0.00 52.55 53.76 3ir5 s ASP 1231Cb -0.23 -1.96 0.60 0.00 1.01 0.00 0.00 42.92 42.33 3ir5 s ASP 1231CO -0.03 0.18 1.47 0.79 0.21 0.00 0.00 175.17 177.79 3ir5 n TRP 1232N 3.50 0.00 -3.46 4.23 7.02 -1.26 0.33 117.44 127.80 3ir5 n TRP 1232Ca -0.17 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.06 3ir5 n TRP 1232Cb 0.52 -0.19 0.02 0.00 -2.42 0.00 0.00 31.31 29.24 3ir5 n TRP 1232CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3ir5 n LEU 1233N -1.15 -2.32 0.00 -0.99 4.32 -1.26 -4.59 117.00 111.01 3ir5 n LEU 1233Ca 0.08 -0.49 0.00 0.00 -0.02 0.00 0.00 56.01 55.58 3ir5 n LEU 1233Cb 0.34 -2.57 0.00 0.00 -1.62 0.00 0.00 43.42 39.57 3ir5 n LEU 1233CO 0.31 0.32 0.42 -0.90 -1.22 0.00 0.00 177.39 176.32 3ir5 n ASP 1234N -2.58 1.46 -0.75 -1.43 5.68 -1.26 -4.99 116.55 112.68 3ir5 n ASP 1234Ca -0.02 -1.69 -0.10 0.00 -0.50 0.00 0.00 54.79 52.48 3ir5 n ASP 1234Cb 0.56 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.50 3ir5 n ASP 1234CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ir5 n GLY 1235N -0.35 1.04 0.14 6.12 0.00 -1.26 -4.85 105.19 106.03 3ir5 n GLY 1235Ca 0.00 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.98 3ir5 n GLY 1235CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ir5 n GLU 1236N -1.60 0.60 -2.36 1.61 1.02 -1.26 -4.93 120.64 113.72 3ir5 n GLU 1236Ca -0.10 -0.29 -0.15 0.00 -0.02 0.00 0.00 57.16 56.60 3ir5 n GLU 1236Cb 0.46 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.37 3ir5 n GLU 1236CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ir5 n GLY 1237N 1.35 -0.36 2.79 0.62 0.00 -1.26 -4.87 105.19 103.46 3ir5 n GLY 1237Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3ir5 n GLY 1237CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ir5 n ASN 1238N -1.80 4.76 -4.98 1.61 2.85 -1.26 -5.05 115.26 111.37 3ir5 n ASN 1238Ca -0.18 -3.70 -0.20 0.00 -0.11 0.00 0.00 54.58 50.39 3ir5 n ASN 1238Cb 0.63 -0.57 0.00 0.00 1.24 0.00 0.00 39.78 41.08 3ir5 n ASN 1238CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 3ir5 s ASP 1239N -3.35 5.89 0.30 1.20 -0.00 -1.26 -4.83 116.67 114.62 3ir5 s ASP 1239Ca 0.48 -0.11 0.03 0.00 -0.00 0.00 0.00 52.55 52.95 3ir5 s ASP 1239Cb 0.31 -1.23 -0.05 0.00 -0.00 0.00 0.00 42.92 41.96 3ir5 s ASP 1239CO -0.16 -0.54 0.10 -1.10 -0.00 0.00 0.00 175.17 173.47 3ir5 s GLN 1240N -4.29 1.58 -0.05 8.23 1.11 -0.25 -5.01 119.66 120.98 3ir5 s GLN 1240Ca 0.47 -1.88 -0.01 0.00 0.01 0.00 0.00 55.36 53.95 3ir5 s GLN 1240Cb -0.10 -0.43 0.03 0.00 -1.01 0.00 0.00 33.01 31.50 3ir5 s GLN 1240CO 0.33 -0.32 0.02 0.08 0.01 0.00 0.00 175.29 175.41 3ir5 s VAL 1241N -3.54 0.15 0.09 1.09 1.01 -1.26 -0.16 120.40 117.78 3ir5 s VAL 1241Ca 0.35 0.20 -0.22 0.00 0.00 0.00 0.00 61.98 62.32 3ir5 s VAL 1241Cb 0.07 -0.31 -0.07 0.00 0.00 0.00 0.00 36.38 36.07 3ir5 s VAL 1241CO 0.15 0.19 0.66 -1.10 0.00 0.00 0.00 175.10 175.00 3ir5 s GLN 1242N 1.67 4.37 1.02 2.72 -0.21 0.19 -4.99 119.66 124.43 3ir5 s GLN 1242Ca -0.01 0.91 -0.12 0.00 0.02 0.00 0.00 55.36 56.16 3ir5 s GLN 1242Cb -0.13 -3.28 0.20 0.00 1.00 0.00 0.00 33.01 30.81 3ir5 s GLN 1242CO -0.03 0.54 1.08 -2.00 -2.12 0.00 0.00 175.29 172.75 3ir5 s GLU 1243N -0.87 0.26 0.00 2.91 2.56 -1.26 -4.75 118.70 117.54 3ir5 s GLU 1243Ca 0.33 0.70 0.00 0.00 0.00 0.00 0.00 54.97 56.00 3ir5 s GLU 1243Cb -0.21 -1.70 0.00 0.00 2.00 0.00 0.00 34.13 34.22 3ir5 s GLU 1243CO 0.22 -2.89 0.00 0.43 -0.56 0.00 0.00 175.26 172.45