#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ji3 s SER 2 N 0.00 6.57 -0.00 0.00 0.01 -1.26 -5.11 113.70 113.91 1ji3 s SER 2 Ca 0.00 1.93 -0.19 0.00 1.31 0.00 0.00 55.95 59.00 1ji3 s SER 2 Cb 0.00 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 1ji3 s SER 2 CO 0.00 -0.62 0.55 -0.22 0.41 0.00 0.00 173.24 173.36 1ji3 s LEU 3 N -3.13 4.43 0.02 2.44 2.96 -1.26 -4.97 118.68 119.16 1ji3 s LEU 3 Ca 0.63 1.11 -0.35 0.00 -0.22 0.00 0.00 54.13 55.31 1ji3 s LEU 3 Cb -0.17 -2.85 -0.13 0.00 0.50 0.00 0.00 46.19 43.53 1ji3 s LEU 3 CO 0.22 0.15 1.69 -1.14 -1.32 0.00 0.00 176.35 175.94 1ji3 n ARG 4 N 2.56 2.00 0.00 1.98 0.63 -1.26 -4.34 116.66 118.23 1ji3 n ARG 4 Ca -0.08 0.73 0.03 0.00 -0.92 0.00 0.00 57.85 57.60 1ji3 n ARG 4 Cb 0.51 -2.51 0.01 0.00 0.45 0.00 0.00 32.46 30.92 1ji3 n ARG 4 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ji3 n ALA 5 N 4.76 2.54 -3.22 5.13 0.00 -0.19 -4.96 120.51 124.57 1ji3 n ALA 5 Ca 0.20 -0.45 -0.12 0.00 0.00 0.00 0.00 53.44 53.07 1ji3 n ALA 5 Cb 0.27 -0.20 -0.04 0.00 0.00 0.00 0.00 19.45 19.48 1ji3 n ALA 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ji3 s ASN 6 N -0.74 -0.40 -0.12 0.00 2.20 -1.10 -4.44 114.94 110.33 1ji3 s ASN 6 Ca 0.06 -0.07 0.16 0.00 -0.94 0.00 0.00 52.86 52.07 1ji3 s ASN 6 Cb 0.05 0.52 0.32 0.00 -2.00 0.00 0.00 41.25 40.13 1ji3 s ASN 6 CO 0.11 -0.85 1.20 0.47 -2.94 0.00 0.00 177.10 175.10 1ji3 n ASP 7 N -0.08 2.72 -4.74 3.54 9.92 -1.26 -4.84 116.55 121.80 1ji3 n ASP 7 Ca -0.17 -2.89 -0.41 0.00 -0.53 0.00 0.00 54.79 50.78 1ji3 n ASP 7 Cb 0.63 -0.40 -0.03 0.00 -0.64 0.00 0.00 41.12 40.69 1ji3 n ASP 7 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ji3 s ALA 8 N -2.55 3.64 0.61 2.24 0.00 -1.26 -4.98 121.76 119.45 1ji3 s ALA 8 Ca 0.30 1.30 -0.17 0.00 0.00 0.00 0.00 51.96 53.39 1ji3 s ALA 8 Cb 0.25 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1ji3 s ALA 8 CO 0.05 -0.72 1.11 -1.25 0.00 0.00 0.00 175.76 174.95 1ji3 s PRO 9 N -0.02 3.06 -0.03 0.00 0.04 -1.25 -4.74 135.00 132.06 1ji3 s PRO 9 Ca 0.61 1.47 -0.13 0.00 0.04 0.00 0.00 61.00 62.99 1ji3 s PRO 9 Cb -0.41 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 1ji3 s PRO 9 CO 0.40 -1.06 0.34 0.42 0.04 0.00 0.00 177.00 177.15 1ji3 s ILE 10 N -2.12 5.14 -0.10 0.56 1.01 -0.28 -0.74 121.20 124.67 1ji3 s ILE 10 Ca 0.69 0.69 0.02 0.00 0.00 0.00 0.00 60.65 62.04 1ji3 s ILE 10 Cb -0.21 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 38.63 1ji3 s ILE 10 CO 0.35 0.59 -0.15 0.68 0.00 0.00 0.00 174.94 176.41 1ji3 s VAL 11 N -1.07 1.47 -0.07 2.92 -7.23 0.26 -0.49 120.40 116.19 1ji3 s VAL 11 Ca 0.22 -0.64 -0.15 0.00 -1.81 0.00 0.00 61.98 59.60 1ji3 s VAL 11 Cb -0.16 -1.34 -0.05 0.00 0.56 0.00 0.00 36.38 35.39 1ji3 s VAL 11 CO 0.11 0.43 0.38 -0.76 -0.31 0.00 0.00 175.10 174.96 1ji3 s LEU 12 N 0.91 4.38 -0.07 1.32 1.43 -0.27 -0.93 118.68 125.44 1ji3 s LEU 12 Ca -0.08 0.81 -0.03 0.00 -1.03 0.00 0.00 54.13 53.80 1ji3 s LEU 12 Cb -0.15 -2.54 0.04 0.00 0.03 0.00 0.00 46.19 43.57 1ji3 s LEU 12 CO -0.00 0.21 0.06 -0.22 0.23 0.00 0.00 176.35 176.63 1ji3 s LEU 13 N -0.35 0.20 1.02 1.79 2.96 -0.10 -1.81 118.68 122.38 1ji3 s LEU 13 Ca 0.22 -0.06 -0.16 0.00 -0.22 0.00 0.00 54.13 53.91 1ji3 s LEU 13 Cb -0.15 -0.17 0.21 0.00 0.50 0.00 0.00 46.19 46.58 1ji3 s LEU 13 CO 0.10 -0.27 1.22 -1.38 -1.32 0.00 0.00 176.35 174.70 1ji3 s HIS 14 N 2.16 1.46 0.00 5.38 -3.43 -1.26 -1.13 115.29 118.46 1ji3 s HIS 14 Ca 0.04 0.48 0.00 0.00 -0.80 0.00 0.00 55.06 54.78 1ji3 s HIS 14 Cb -0.13 -3.77 0.00 0.00 -1.43 0.00 0.00 32.58 27.25 1ji3 s HIS 14 CO -0.04 -2.95 0.00 0.41 -2.00 0.00 0.00 174.74 170.16 1ji3 n GLY 15 N -2.63 1.48 0.09 -1.38 0.00 -1.17 -2.80 105.19 98.78 1ji3 n GLY 15 Ca 0.13 -0.74 0.15 0.00 0.00 0.00 0.00 46.02 45.56 1ji3 n GLY 15 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ji3 n PHE 16 N 0.00 0.00 -4.37 1.61 1.16 -1.26 -4.48 117.46 110.12 1ji3 n PHE 16 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.37 1ji3 n PHE 16 Cb 0.00 -0.06 -0.11 0.00 -1.61 0.00 0.00 39.48 37.70 1ji3 n PHE 16 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1ji3 s THR 17 N -2.14 1.94 0.00 1.97 -4.23 -1.26 -4.39 115.64 107.53 1ji3 s THR 17 Ca 0.41 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1ji3 s THR 17 Cb 0.21 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 72.04 1ji3 s THR 17 CO 0.39 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1ji3 n GLY 18 N -0.13 3.74 3.64 3.99 0.00 -1.26 -4.85 105.19 110.32 1ji3 n GLY 18 Ca -0.10 -0.95 -0.07 0.00 0.00 0.00 0.00 46.02 44.90 1ji3 n GLY 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1ji3 s TRP 19 N -2.00 -0.29 0.90 1.61 -2.14 -1.26 -4.77 118.94 110.99 1ji3 s TRP 19 Ca 0.00 0.02 -0.12 0.00 2.66 0.00 0.00 56.10 58.65 1ji3 s TRP 19 Cb 0.00 0.61 0.17 0.00 -3.10 0.00 0.00 33.47 31.15 1ji3 s TRP 19 CO 0.00 -0.84 1.24 0.20 -2.66 0.00 0.00 176.95 174.89 1ji3 s GLY 20 N -2.77 1.76 0.50 3.67 0.00 -1.26 -4.70 107.32 104.52 1ji3 s GLY 20 Ca 0.08 -1.25 0.18 0.00 0.00 0.00 0.00 44.72 43.72 1ji3 s GLY 20 CO -0.03 -0.55 2.07 3.21 0.00 0.00 0.00 173.10 177.79 1ji3 h ARG 21 N -1.35 0.12 -0.01 2.90 3.08 -1.95 0.12 114.38 117.29 1ji3 h ARG 21 Ca -0.43 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1ji3 h ARG 21 Cb 1.25 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1ji3 h ARG 21 CO 0.41 0.08 -0.34 0.39 -1.07 0.00 0.00 179.97 179.45 1ji3 n GLU 22 N -4.47 0.62 -2.71 0.04 -0.58 -1.26 -4.15 120.64 108.13 1ji3 n GLU 22 Ca 0.04 -0.38 -0.21 0.00 -0.42 0.00 0.00 57.16 56.19 1ji3 n GLU 22 Cb 0.29 -1.49 0.05 0.00 -0.57 0.00 0.00 31.44 29.72 1ji3 n GLU 22 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1ji3 s GLU 23 N -2.63 2.41 -1.43 3.49 -1.05 0.03 -4.34 118.70 115.17 1ji3 s GLU 23 Ca 0.21 -0.97 -0.09 0.00 -0.15 0.00 0.00 54.97 53.96 1ji3 s GLU 23 Cb 0.19 -2.51 0.06 0.00 -0.44 0.00 0.00 34.13 31.42 1ji3 s GLU 23 CO 0.57 -0.80 0.68 -1.33 0.95 0.00 0.00 175.26 175.34 1ji3 n MET 24 N -2.36 -4.56 -1.49 -4.83 2.81 0.18 -0.90 117.12 105.97 1ji3 n MET 24 Ca 0.10 0.64 -0.17 0.00 -1.81 0.00 0.00 57.70 56.46 1ji3 n MET 24 Cb 0.60 -5.46 -0.07 0.00 -0.71 0.00 0.00 33.22 27.58 1ji3 n MET 24 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1ji3 n PHE 25 N -4.34 -0.20 -0.51 2.03 3.72 -1.26 -1.95 117.46 114.95 1ji3 n PHE 25 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1ji3 n PHE 25 Cb 0.56 -3.01 0.00 0.00 -0.94 0.00 0.00 39.48 36.09 1ji3 n PHE 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ji3 n GLY 26 N -0.31 0.87 3.69 1.37 0.00 -0.08 -5.03 105.19 105.69 1ji3 n GLY 26 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1ji3 n GLY 26 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ji3 s PHE 27 N -3.08 2.82 0.08 1.61 2.19 -0.82 -4.96 117.98 115.82 1ji3 s PHE 27 Ca 0.00 0.81 -0.19 0.00 0.33 0.00 0.00 56.93 57.88 1ji3 s PHE 27 Cb 0.00 -3.66 -0.07 0.00 -1.31 0.00 0.00 43.02 37.98 1ji3 s PHE 27 CO 0.00 -2.45 0.57 0.15 1.83 0.00 0.00 175.22 175.32 1ji3 s LYS 28 N 2.50 4.19 0.14 10.12 -0.14 -1.26 -4.80 119.74 130.49 1ji3 s LYS 28 Ca 0.64 0.73 -0.13 0.00 -1.36 0.00 0.00 55.97 55.85 1ji3 s LYS 28 Cb -0.31 -3.22 0.00 0.00 -1.68 0.00 0.00 37.83 32.62 1ji3 s LYS 28 CO 0.26 0.63 1.58 -0.92 -0.76 0.00 0.00 175.35 176.14 1ji3 h TYR 29 N 4.47 0.91 -2.12 3.18 5.03 -1.92 0.49 116.97 127.01 1ji3 h TYR 29 Ca -0.50 -0.17 -0.70 0.00 2.58 0.00 0.00 58.73 59.95 1ji3 h TYR 29 Cb 1.21 -0.23 -0.16 0.00 1.55 0.00 0.00 36.73 39.10 1ji3 h TYR 29 CO 0.68 0.88 1.15 -1.58 -1.32 0.00 0.00 178.16 177.97 1ji3 s TRP 30 N -4.96 3.18 0.00 -3.82 0.52 -1.26 -3.76 118.94 108.83 1ji3 s TRP 30 Ca -0.12 -1.61 0.00 0.00 0.02 0.00 0.00 56.10 54.39 1ji3 s TRP 30 Cb 0.11 -4.36 0.00 0.00 -1.15 0.00 0.00 33.47 28.07 1ji3 s TRP 30 CO 0.82 -1.52 0.00 0.41 0.02 0.00 0.00 176.95 176.68 1ji3 n GLY 31 N 5.15 2.82 7.00 0.98 0.00 0.06 -1.64 105.19 119.55 1ji3 n GLY 31 Ca 0.31 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1ji3 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ji3 n GLY 32 N 0.00 2.91 0.00 -0.02 0.00 0.16 -0.56 105.19 107.69 1ji3 n GLY 32 Ca 0.00 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.19 1ji3 n GLY 32 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ji3 n VAL 33 N 0.00 0.19 0.61 1.61 0.24 0.85 -3.12 118.33 118.72 1ji3 n VAL 33 Ca 0.00 0.05 0.12 0.00 -2.04 0.00 0.00 64.34 62.47 1ji3 n VAL 33 Cb 0.00 -0.61 0.16 0.00 -1.47 0.00 0.00 33.84 31.93 1ji3 n VAL 33 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ji3 n ARG 34 N -1.42 0.26 0.00 7.34 5.12 0.28 -5.07 116.66 123.18 1ji3 n ARG 34 Ca 0.09 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 1ji3 n ARG 34 Cb 0.27 -1.65 0.00 0.00 -1.16 0.00 0.00 32.46 29.91 1ji3 n ARG 34 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ji3 n GLY 35 N 1.36 0.65 2.89 -0.13 0.00 -1.15 -5.05 105.19 103.76 1ji3 n GLY 35 Ca 0.03 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 1ji3 n GLY 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ji3 s ASP 36 N -4.00 3.99 0.09 1.61 -1.08 -1.26 -3.54 116.67 112.48 1ji3 s ASP 36 Ca 0.00 -1.44 -0.21 0.00 -0.52 0.00 0.00 52.55 50.38 1ji3 s ASP 36 Cb 0.00 -1.14 -0.11 0.00 -1.46 0.00 0.00 42.92 40.21 1ji3 s ASP 36 CO 0.00 -0.31 1.63 0.40 0.52 0.00 0.00 175.17 177.41 1ji3 h ILE 37 N 6.60 1.14 0.03 4.11 2.04 -1.68 -1.74 117.51 128.03 1ji3 h ILE 37 Ca -0.14 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.32 1ji3 h ILE 37 Cb 1.05 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.25 1ji3 h ILE 37 CO 0.44 0.13 -0.24 -0.08 0.00 0.00 0.00 178.15 178.41 1ji3 h GLU 38 N 0.09 -0.37 -0.95 2.37 4.81 -1.95 -0.94 114.58 117.63 1ji3 h GLU 38 Ca 0.05 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1ji3 h GLU 38 Cb 0.15 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 1ji3 h GLU 38 CO -0.00 -0.25 0.62 0.37 -0.73 0.00 0.00 179.01 179.02 1ji3 h GLN 39 N -0.39 1.11 -0.76 1.92 5.75 -1.91 -0.23 115.11 120.61 1ji3 h GLN 39 Ca 0.05 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.43 1ji3 h GLN 39 Cb 0.45 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 1ji3 h GLN 39 CO -0.19 0.74 0.27 -1.49 -2.65 0.00 0.00 178.83 175.51 1ji3 h TRP 40 N 1.15 1.19 -0.10 3.99 6.55 -0.46 0.13 115.95 128.39 1ji3 h TRP 40 Ca 0.40 -0.10 -0.02 0.00 0.95 0.00 0.00 58.89 60.11 1ji3 h TRP 40 Cb 0.11 -0.35 -0.00 0.00 -0.86 0.00 0.00 29.16 28.05 1ji3 h TRP 40 CO -0.00 0.92 -0.01 -0.07 -1.05 0.00 0.00 178.44 178.23 1ji3 h LEU 41 N 1.12 0.17 -0.68 -4.49 3.38 -0.01 -1.93 115.31 112.87 1ji3 h LEU 41 Ca 0.25 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1ji3 h LEU 41 Cb 0.26 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1ji3 h LEU 41 CO -0.01 0.46 0.44 0.78 0.09 0.00 0.00 178.44 180.19 1ji3 h ASN 42 N -0.12 0.74 0.53 -0.43 2.35 -0.90 -0.30 115.58 117.45 1ji3 h ASN 42 Ca 0.03 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1ji3 h ASN 42 Cb 0.38 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1ji3 h ASN 42 CO 0.01 0.53 -0.01 0.44 -1.65 0.00 0.00 177.43 176.74 1ji3 h ASP 43 N 0.88 0.00 -0.52 5.81 5.19 -0.45 -1.56 116.42 125.77 1ji3 h ASP 43 Ca 0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 1ji3 h ASP 43 Cb -0.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.46 1ji3 h ASP 43 CO -0.08 0.01 0.00 0.59 -3.12 0.00 0.00 179.24 176.65 1ji3 n ASN 44 N -3.14 4.96 0.00 6.45 3.02 -0.37 -4.94 115.26 121.25 1ji3 n ASN 44 Ca -0.01 -2.78 0.00 0.00 -0.03 0.00 0.00 54.58 51.76 1ji3 n ASN 44 Cb 0.20 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 1ji3 n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ji3 n GLY 45 N 0.50 0.45 3.04 7.41 0.00 -0.59 -5.03 105.19 110.98 1ji3 n GLY 45 Ca 0.25 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 1ji3 n GLY 45 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ji3 s TYR 46 N -2.00 3.47 -0.04 1.61 2.02 -0.27 -5.00 117.35 117.14 1ji3 s TYR 46 Ca 0.00 -2.84 -0.38 0.00 -0.37 0.00 0.00 57.07 53.48 1ji3 s TYR 46 Cb 0.00 -3.04 -0.17 0.00 -0.40 0.00 0.00 41.96 38.35 1ji3 s TYR 46 CO 0.00 -0.87 1.45 0.54 -1.57 0.00 0.00 175.55 175.10 1ji3 n ARG 47 N 3.82 1.04 -3.86 -0.62 5.12 -1.26 -3.36 116.66 117.54 1ji3 n ARG 47 Ca 0.04 0.38 -0.12 0.00 -1.93 0.00 0.00 57.85 56.21 1ji3 n ARG 47 Cb 0.38 -2.02 -0.14 0.00 -1.16 0.00 0.00 32.46 29.52 1ji3 n ARG 47 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1ji3 s THR 48 N 1.42 -0.00 0.23 0.55 2.01 -1.26 -1.13 115.64 117.45 1ji3 s THR 48 Ca 0.90 0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.97 1ji3 s THR 48 Cb -1.02 -0.04 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 1ji3 s THR 48 CO 0.54 0.01 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.08 1ji3 s TYR 49 N 0.10 1.69 -0.08 4.92 1.51 0.35 -4.93 117.35 120.92 1ji3 s TYR 49 Ca -0.01 -0.71 0.05 0.00 -1.01 0.00 0.00 57.07 55.39 1ji3 s TYR 49 Cb -0.01 -0.90 -0.00 0.00 -0.11 0.00 0.00 41.96 40.94 1ji3 s TYR 49 CO -0.00 0.21 -0.24 0.99 -1.11 0.00 0.00 175.55 175.40 1ji3 s THR 50 N -3.13 1.99 0.12 -0.71 2.01 -1.26 -1.12 115.64 113.54 1ji3 s THR 50 Ca 0.25 -1.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.20 1ji3 s THR 50 Cb 0.02 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.77 1ji3 s THR 50 CO 0.08 0.55 0.35 -0.76 -0.69 0.00 0.00 174.62 174.15 1ji3 s LEU 51 N 0.14 4.29 -0.17 4.42 1.43 -0.75 -4.94 118.68 123.11 1ji3 s LEU 51 Ca -0.12 0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 53.50 1ji3 s LEU 51 Cb -0.16 -3.21 0.05 0.00 0.03 0.00 0.00 46.19 42.90 1ji3 s LEU 51 CO 0.06 0.09 0.03 0.00 0.23 0.00 0.00 176.35 176.76 1ji3 s ALA 52 N -1.61 0.89 0.37 4.21 0.00 -1.26 -4.58 121.76 119.78 1ji3 s ALA 52 Ca 0.39 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 51.85 1ji3 s ALA 52 Cb -0.12 -1.08 -0.06 0.00 0.00 0.00 0.00 23.12 21.86 1ji3 s ALA 52 CO 0.24 -1.03 0.06 0.14 0.00 0.00 0.00 175.76 175.17 1ji3 s VAL 53 N 1.91 1.24 -0.00 0.00 -7.23 -1.26 -4.94 120.40 110.12 1ji3 s VAL 53 Ca 0.01 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.88 1ji3 s VAL 53 Cb -0.16 -2.70 -0.08 0.00 0.56 0.00 0.00 36.38 34.00 1ji3 s VAL 53 CO -0.08 0.00 1.94 -0.83 -0.31 0.00 0.00 175.10 175.83 1ji3 s GLY 54 N -3.58 1.38 0.35 2.32 0.00 -1.26 -4.88 107.32 101.64 1ji3 s GLY 54 Ca 0.31 1.21 0.12 0.00 0.00 0.00 0.00 44.72 46.36 1ji3 s GLY 54 CO 0.15 3.44 1.78 -0.56 0.00 0.00 0.00 173.10 177.90 1ji3 h PRO 55 N 10.86 0.00 -0.01 2.90 0.13 -1.82 -3.08 132.00 140.97 1ji3 h PRO 55 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ji3 h PRO 55 Cb 1.23 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1ji3 h PRO 55 CO 0.95 0.43 -0.50 1.28 -0.23 0.00 0.00 178.00 179.93 1ji3 n LEU 56 N -4.03 1.89 -4.88 1.56 4.77 -1.26 -4.16 117.00 110.88 1ji3 n LEU 56 Ca -0.02 -0.74 -0.30 0.00 -0.03 0.00 0.00 56.01 54.92 1ji3 n LEU 56 Cb 0.45 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.59 1ji3 n LEU 56 CO 0.40 0.36 0.75 -0.44 -1.33 0.00 0.00 177.39 177.12 1ji3 s SER 57 N -2.43 5.48 0.76 -1.43 0.01 -1.17 -1.16 113.70 113.76 1ji3 s SER 57 Ca 0.17 1.14 -0.13 0.00 1.31 0.00 0.00 55.95 58.44 1ji3 s SER 57 Cb 0.17 -1.95 0.05 0.00 0.21 0.00 0.00 66.02 64.51 1ji3 s SER 57 CO 0.57 -1.32 1.14 -0.94 0.41 0.00 0.00 173.24 173.10 1ji3 s SER 58 N -4.35 4.26 0.23 2.44 1.04 -1.24 -2.80 113.70 113.27 1ji3 s SER 58 Ca 0.58 2.10 -0.07 0.00 0.48 0.00 0.00 55.95 59.04 1ji3 s SER 58 Cb -0.11 -2.56 0.37 0.00 0.10 0.00 0.00 66.02 63.83 1ji3 s SER 58 CO 0.52 -2.21 1.71 0.78 0.98 0.00 0.00 173.24 175.02 1ji3 h ASN 59 N -0.72 0.10 -0.29 7.02 2.35 -1.94 -0.75 115.58 121.36 1ji3 h ASN 59 Ca -0.45 0.12 0.07 0.00 -0.55 0.00 0.00 56.30 55.48 1ji3 h ASN 59 Cb 1.26 0.14 -0.08 0.00 0.05 0.00 0.00 38.32 39.69 1ji3 h ASN 59 CO 0.50 0.04 -0.29 -0.25 -1.65 0.00 0.00 177.43 175.78 1ji3 h TRP 60 N 0.33 -0.78 -0.83 1.19 2.91 -1.95 0.19 115.95 117.00 1ji3 h TRP 60 Ca 0.36 0.05 0.01 0.00 1.13 0.00 0.00 58.89 60.44 1ji3 h TRP 60 Cb 0.56 0.39 -0.04 0.00 -0.51 0.00 0.00 29.16 29.55 1ji3 h TRP 60 CO -0.22 -0.36 0.55 -0.44 -1.03 0.00 0.00 178.44 176.94 1ji3 h ASP 61 N -0.28 0.95 0.07 2.65 5.19 -1.81 -0.39 116.42 122.81 1ji3 h ASP 61 Ca 0.15 -0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.47 1ji3 h ASP 61 Cb 0.51 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 1ji3 h ASP 61 CO -0.44 0.69 -0.21 0.03 -3.12 0.00 0.00 179.24 176.19 1ji3 h ARG 62 N 1.12 0.25 -0.06 3.56 3.08 -0.61 -0.66 114.38 121.06 1ji3 h ARG 62 Ca 0.31 -0.07 -0.19 0.00 0.07 0.00 0.00 59.98 60.09 1ji3 h ARG 62 Cb -0.12 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 1ji3 h ARG 62 CO -0.07 0.45 -0.77 0.28 -1.07 0.00 0.00 179.97 178.79 1ji3 h VAL 63 N 0.23 1.39 -0.53 2.04 2.07 0.25 0.54 116.25 122.23 1ji3 h VAL 63 Ca 0.04 -2.22 -0.11 0.00 0.82 0.00 0.00 66.70 65.24 1ji3 h VAL 63 Cb 0.50 2.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1ji3 h VAL 63 CO 0.03 0.66 -0.10 0.00 0.02 0.00 0.00 177.57 178.19 1ji3 h GLU 65 N 0.88 0.45 -0.64 0.00 5.08 -0.99 -2.30 114.58 117.06 1ji3 h GLU 65 Ca 0.14 -0.10 0.09 0.00 -1.00 0.00 0.00 59.36 58.49 1ji3 h GLU 65 Cb 0.66 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.78 1ji3 h GLU 65 CO 0.05 0.51 0.26 0.00 -1.00 0.00 0.00 179.01 178.83 1ji3 h ALA 66 N 0.92 0.84 -0.24 3.43 0.00 -0.86 0.25 119.26 123.60 1ji3 h ALA 66 Ca 0.09 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1ji3 h ALA 66 Cb 0.25 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1ji3 h ALA 66 CO -0.00 -0.16 0.12 -0.92 0.00 0.00 0.00 179.25 178.29 1ji3 h TYR 67 N 0.46 0.21 -0.48 0.00 3.20 -1.30 0.11 116.97 119.17 1ji3 h TYR 67 Ca 0.32 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.11 1ji3 h TYR 67 Cb 0.38 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 1ji3 h TYR 67 CO -0.15 0.12 -0.07 0.28 -1.64 0.00 0.00 178.16 176.70 1ji3 h VAL 68 N 0.25 1.26 0.00 1.81 2.07 -0.90 0.04 116.25 120.78 1ji3 h VAL 68 Ca 0.10 -1.14 -0.06 0.00 0.82 0.00 0.00 66.70 66.42 1ji3 h VAL 68 Cb 0.03 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1ji3 h VAL 68 CO -0.07 0.40 -0.28 1.56 0.02 0.00 0.00 177.57 179.19 1ji3 h GLN 69 N 0.77 0.00 0.00 1.57 4.20 0.28 0.06 115.11 122.00 1ji3 h GLN 69 Ca 0.13 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1ji3 h GLN 69 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1ji3 h GLN 69 CO 0.03 0.28 -0.00 -0.07 -0.67 0.00 0.00 178.83 178.41 1ji3 h LEU 70 N 0.00 -0.00 0.00 1.46 3.38 0.39 -0.65 115.31 119.89 1ji3 h LEU 70 Ca -0.00 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.08 1ji3 h LEU 70 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1ji3 h LEU 70 CO 0.04 0.93 -0.71 -0.37 0.09 0.00 0.00 178.44 178.41 1ji3 h VAL 71 N -0.98 0.00 0.00 1.22 -1.51 -1.11 0.13 116.25 114.00 1ji3 h VAL 71 Ca -0.00 -0.73 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 1ji3 h VAL 71 Cb 0.89 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 1ji3 h VAL 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1ji3 n GLY 72 N 1.25 2.00 0.00 5.19 0.00 0.01 -4.60 105.19 109.04 1ji3 n GLY 72 Ca 0.02 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1ji3 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ji3 n GLY 73 N 1.90 0.75 3.75 -0.02 0.00 0.41 -4.83 105.19 107.14 1ji3 n GLY 73 Ca 0.00 -2.21 -0.38 0.00 0.00 0.00 0.00 46.02 43.42 1ji3 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ji3 s THR 74 N -0.85 5.06 0.21 2.61 2.01 -1.26 0.38 115.64 123.79 1ji3 s THR 74 Ca 0.00 1.10 -0.32 0.00 0.31 0.00 0.00 61.69 62.78 1ji3 s THR 74 Cb 0.00 -3.87 -0.12 0.00 0.01 0.00 0.00 72.50 68.51 1ji3 s THR 74 CO 0.00 0.37 1.69 0.52 -0.69 0.00 0.00 174.62 176.51 1ji3 n VAL 75 N 3.20 0.10 -3.91 3.82 0.31 -0.01 -4.88 118.33 116.95 1ji3 n VAL 75 Ca -0.07 -0.02 -0.30 0.00 -0.01 0.00 0.00 64.34 63.94 1ji3 n VAL 75 Cb 0.51 -1.91 -0.16 0.00 -0.91 0.00 0.00 33.84 31.38 1ji3 n VAL 75 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ji3 s ASP 76 N 1.07 3.65 0.00 4.52 -1.08 -1.26 -1.25 116.67 122.31 1ji3 s ASP 76 Ca 0.75 -1.08 0.29 0.00 -0.52 0.00 0.00 52.55 51.98 1ji3 s ASP 76 Cb -0.53 -1.09 1.28 0.00 -1.46 0.00 0.00 42.92 41.11 1ji3 s ASP 76 CO 0.35 -0.24 1.88 -1.22 0.52 0.00 0.00 175.17 176.46 1ji3 n TYR 77 N 4.73 0.00 -0.14 -5.34 4.01 0.14 -4.90 117.16 115.65 1ji3 n TYR 77 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 1ji3 n TYR 77 Cb 0.45 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 1ji3 n TYR 77 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ji3 n GLY 78 N 1.21 -0.22 0.38 2.72 0.00 -1.26 -4.49 105.19 103.52 1ji3 n GLY 78 Ca 0.17 -1.09 -0.00 0.00 0.00 0.00 0.00 46.02 45.10 1ji3 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ji3 h ALA 79 N 0.00 1.33 0.22 4.61 0.00 -1.90 -0.72 119.26 122.79 1ji3 h ALA 79 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1ji3 h ALA 79 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.42 1ji3 h ALA 79 CO 0.00 0.60 -0.10 0.00 0.00 0.00 0.00 179.25 179.74 1ji3 h ALA 80 N 1.40 -0.29 -0.37 0.00 0.00 -1.90 -1.58 119.26 116.52 1ji3 h ALA 80 Ca 0.38 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.26 1ji3 h ALA 80 Cb -0.06 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1ji3 h ALA 80 CO -0.11 -0.63 0.10 1.25 0.00 0.00 0.00 179.25 179.86 1ji3 h HIS 81 N -0.36 0.17 -0.26 0.00 6.17 -1.76 -0.88 115.15 118.24 1ji3 h HIS 81 Ca -0.03 0.02 -0.10 0.00 0.71 0.00 0.00 60.37 60.97 1ji3 h HIS 81 Cb 0.27 -0.02 -0.01 0.00 2.52 0.00 0.00 27.41 30.17 1ji3 h HIS 81 CO -0.04 0.05 -0.27 0.00 0.71 0.00 0.00 177.93 178.38 1ji3 h ALA 82 N 1.26 1.06 -0.53 5.26 0.00 -1.10 -1.61 119.26 123.60 1ji3 h ALA 82 Ca 0.17 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1ji3 h ALA 82 Cb 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1ji3 h ALA 82 CO -0.20 0.57 -0.07 0.00 0.00 0.00 0.00 179.25 179.55 1ji3 h ALA 83 N 1.28 0.88 -0.57 0.00 0.00 -0.87 -1.24 119.26 118.74 1ji3 h ALA 83 Ca 0.06 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1ji3 h ALA 83 Cb 0.70 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1ji3 h ALA 83 CO 0.05 0.65 0.07 -0.22 0.00 0.00 0.00 179.25 179.80 1ji3 h LYS 84 N 0.86 0.93 -0.00 0.00 3.64 -0.64 -3.25 116.57 118.10 1ji3 h LYS 84 Ca 0.15 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1ji3 h LYS 84 Cb 0.60 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1ji3 h LYS 84 CO 0.04 0.87 -0.74 0.72 -2.27 0.00 0.00 179.45 178.07 1ji3 n HIS 85 N -4.23 0.00 -2.70 1.91 8.25 -0.66 -5.00 115.22 112.80 1ji3 n HIS 85 Ca 0.04 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.44 1ji3 n HIS 85 Cb 0.28 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.41 1ji3 n HIS 85 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ji3 n GLY 86 N 1.40 0.58 3.47 -1.41 0.00 -0.48 -5.06 105.19 103.70 1ji3 n GLY 86 Ca 0.05 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 1ji3 n GLY 86 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ji3 s HIS 87 N -3.07 1.92 0.63 1.61 -3.43 -1.12 -5.00 115.29 106.83 1ji3 s HIS 87 Ca 0.12 -1.03 -0.16 0.00 -0.80 0.00 0.00 55.06 53.19 1ji3 s HIS 87 Cb -0.05 -1.26 -0.01 0.00 -1.43 0.00 0.00 32.58 29.82 1ji3 s HIS 87 CO 0.16 -0.05 1.13 0.00 -2.00 0.00 0.00 174.74 173.99 1ji3 s ALA 88 N -3.27 2.49 0.26 -1.38 0.00 -0.23 -4.65 121.76 114.97 1ji3 s ALA 88 Ca 0.33 0.70 0.05 0.00 0.00 0.00 0.00 51.96 53.04 1ji3 s ALA 88 Cb 0.07 -3.36 0.33 0.00 0.00 0.00 0.00 23.12 20.16 1ji3 s ALA 88 CO 0.15 -1.21 1.61 -0.09 0.00 0.00 0.00 175.76 176.22 1ji3 h ARG 89 N 0.35 0.23 -6.34 0.00 2.43 -1.91 -3.45 114.38 105.69 1ji3 h ARG 89 Ca -0.48 -0.14 -0.69 0.00 -0.81 0.00 0.00 59.98 57.86 1ji3 h ARG 89 Cb 1.26 0.01 -0.29 0.00 -0.42 0.00 0.00 29.97 30.53 1ji3 h ARG 89 CO 0.54 0.71 -0.86 -0.06 -1.51 0.00 0.00 179.97 178.79 1ji3 s PHE 90 N -3.89 2.45 0.00 2.20 0.08 -1.26 0.25 117.98 117.80 1ji3 s PHE 90 Ca -0.04 -0.48 0.00 0.00 0.12 0.00 0.00 56.93 56.53 1ji3 s PHE 90 Cb 0.12 -1.56 0.00 0.00 -0.57 0.00 0.00 43.02 41.01 1ji3 s PHE 90 CO 0.79 -0.05 0.00 0.41 -0.10 0.00 0.00 175.22 176.26 1ji3 n GLY 91 N 2.60 3.22 3.81 4.36 0.00 -0.38 -4.68 105.19 114.12 1ji3 n GLY 91 Ca -0.17 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 43.78 1ji3 n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ji3 s ARG 92 N 4.09 1.70 -0.05 1.61 0.52 -1.26 -4.40 118.95 121.16 1ji3 s ARG 92 Ca 0.00 0.44 0.02 0.00 -0.52 0.00 0.00 55.73 55.66 1ji3 s ARG 92 Cb 0.00 -1.89 -0.03 0.00 0.52 0.00 0.00 34.95 33.55 1ji3 s ARG 92 CO 0.00 -1.84 -0.08 0.99 0.02 0.00 0.00 175.30 174.39 1ji3 s THR 93 N -3.25 3.56 0.06 0.02 2.01 -1.26 -0.83 115.64 115.95 1ji3 s THR 93 Ca 0.62 -0.58 0.07 0.00 0.31 0.00 0.00 61.69 62.11 1ji3 s THR 93 Cb -0.14 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 1ji3 s THR 93 CO 0.53 0.57 -0.18 -0.31 -0.69 0.00 0.00 174.62 174.53 1ji3 s TYR 94 N -0.82 1.59 0.38 4.92 2.02 0.16 -4.93 117.35 120.66 1ji3 s TYR 94 Ca 0.13 -0.39 0.11 0.00 -0.37 0.00 0.00 57.07 56.55 1ji3 s TYR 94 Cb -0.11 -0.92 0.75 0.00 -0.40 0.00 0.00 41.96 41.29 1ji3 s TYR 94 CO 0.02 0.11 1.87 -1.00 -1.57 0.00 0.00 175.55 174.97 1ji3 h PRO 95 N 4.59 0.10 -0.12 -1.71 0.13 -1.88 0.12 132.00 133.24 1ji3 h PRO 95 Ca -0.42 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ji3 h PRO 95 Cb 1.17 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ji3 h PRO 95 CO 0.42 0.37 0.00 0.41 -0.23 0.00 0.00 178.00 178.97 1ji3 n GLY 96 N -0.65 0.69 0.07 1.56 0.00 -1.26 -4.42 105.19 101.19 1ji3 n GLY 96 Ca -0.02 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 1ji3 n GLY 96 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ji3 h LEU 97 N 0.00 0.11 -6.07 0.99 3.38 -0.76 -3.42 115.31 109.54 1ji3 h LEU 97 Ca 0.00 -0.12 -0.57 0.00 0.09 0.00 0.00 57.88 57.29 1ji3 h LEU 97 Cb 0.00 -0.04 -0.39 0.00 0.09 0.00 0.00 40.66 40.33 1ji3 h LEU 97 CO 0.00 1.09 -1.08 0.18 0.09 0.00 0.00 178.44 178.72 1ji3 n LEU 98 N -3.38 0.04 0.31 1.67 4.77 0.42 -4.95 117.00 115.88 1ji3 n LEU 98 Ca -0.03 -4.63 0.18 0.00 -0.03 0.00 0.00 56.01 51.51 1ji3 n LEU 98 Cb 0.97 0.62 1.00 0.00 -2.33 0.00 0.00 43.42 43.68 1ji3 n LEU 98 CO 0.49 2.03 1.11 1.55 -1.33 0.00 0.00 177.39 181.24 1ji3 h PRO 99 N 4.31 0.00 0.00 3.23 0.13 -1.81 -0.14 132.00 137.71 1ji3 h PRO 99 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1ji3 h PRO 99 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1ji3 h PRO 99 CO 0.44 0.02 0.00 -0.85 -0.23 0.00 0.00 178.00 177.38 1ji3 n GLU 100 N -3.39 0.03 0.31 0.86 0.00 -1.26 -0.78 120.64 116.40 1ji3 n GLU 100 Ca -0.02 0.51 0.17 0.00 0.00 0.00 0.00 57.16 57.82 1ji3 n GLU 100 Cb 0.13 -1.59 0.98 0.00 0.00 0.00 0.00 31.44 30.96 1ji3 n GLU 100 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1ji3 h LEU 101 N 0.00 0.00 0.00 -1.84 3.38 -1.24 0.33 115.31 115.94 1ji3 h LEU 101 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ji3 h LEU 101 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1ji3 h LEU 101 CO 0.00 0.02 -0.06 0.29 0.09 0.00 0.00 178.44 178.78 1ji3 n LYS 102 N -3.52 0.09 -0.38 1.13 5.02 0.04 -3.67 118.16 116.86 1ji3 n LYS 102 Ca -0.03 0.07 0.07 0.00 -2.02 0.00 0.00 58.31 56.40 1ji3 n LYS 102 Cb 0.11 -1.60 0.11 0.00 -0.02 0.00 0.00 35.03 33.63 1ji3 n LYS 102 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ji3 n ARG 103 N -1.76 0.97 0.00 1.97 5.12 -0.04 -4.97 116.66 117.95 1ji3 n ARG 103 Ca 0.06 -2.35 0.00 0.00 -1.93 0.00 0.00 57.85 53.63 1ji3 n ARG 103 Cb 0.37 -1.19 0.00 0.00 -1.16 0.00 0.00 32.46 30.48 1ji3 n ARG 103 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ji3 n GLY 104 N -0.91 1.46 3.74 -0.13 0.00 -1.08 -5.09 105.19 103.18 1ji3 n GLY 104 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1ji3 n GLY 104 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ji3 s GLY 105 N -2.03 2.29 0.33 -0.02 0.00 -0.34 -5.00 107.32 102.54 1ji3 s GLY 105 Ca 0.00 0.76 0.03 0.00 0.00 0.00 0.00 44.72 45.51 1ji3 s GLY 105 CO 0.00 1.14 0.11 0.50 0.00 0.00 0.00 173.10 174.85 1ji3 s ARG 106 N -3.94 1.65 0.17 2.90 0.52 -1.26 -4.49 118.95 114.50 1ji3 s ARG 106 Ca 0.72 -1.94 -0.02 0.00 -0.52 0.00 0.00 55.73 53.96 1ji3 s ARG 106 Cb -0.26 -0.46 -0.04 0.00 0.52 0.00 0.00 34.95 34.71 1ji3 s ARG 106 CO 0.43 -0.35 0.13 0.96 0.02 0.00 0.00 175.30 176.48 1ji3 s ILE 107 N -3.46 0.05 -0.12 1.52 -4.36 -0.44 -3.84 121.20 110.55 1ji3 s ILE 107 Ca 0.33 -1.88 0.00 0.00 -0.26 0.00 0.00 60.65 58.84 1ji3 s ILE 107 Cb 0.06 -2.24 -0.02 0.00 1.25 0.00 0.00 42.46 41.52 1ji3 s ILE 107 CO 0.15 -0.22 -0.13 -1.00 0.24 0.00 0.00 174.94 173.98 1ji3 s HIS 108 N -4.09 2.79 -0.13 1.37 3.76 0.08 -0.82 115.29 118.25 1ji3 s HIS 108 Ca 0.30 -0.59 -0.03 0.00 -0.15 0.00 0.00 55.06 54.60 1ji3 s HIS 108 Cb 0.07 -1.81 -0.03 0.00 1.11 0.00 0.00 32.58 31.92 1ji3 s HIS 108 CO 0.07 -0.16 -0.04 0.42 -0.85 0.00 0.00 174.74 174.17 1ji3 s ILE 109 N 0.21 3.85 -0.14 0.60 1.01 -0.42 -0.57 121.20 125.73 1ji3 s ILE 109 Ca -0.08 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.20 1ji3 s ILE 109 Cb -0.15 -2.66 0.01 0.00 0.01 0.00 0.00 42.46 39.67 1ji3 s ILE 109 CO 0.05 0.52 -0.20 -0.63 0.00 0.00 0.00 174.94 174.68 1ji3 s ILE 110 N 0.04 1.93 0.02 2.92 1.01 -0.11 -0.16 121.20 126.86 1ji3 s ILE 110 Ca -0.00 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.79 1ji3 s ILE 110 Cb -0.13 -1.72 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 1ji3 s ILE 110 CO 0.03 0.52 -0.11 0.00 0.00 0.00 0.00 174.94 175.38 1ji3 s ALA 111 N 0.94 0.93 -0.04 9.38 0.00 -0.21 -0.93 121.76 131.84 1ji3 s ALA 111 Ca -0.05 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.30 1ji3 s ALA 111 Cb -0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1ji3 s ALA 111 CO -0.04 0.17 -0.15 -1.58 0.00 0.00 0.00 175.76 174.17 1ji3 s HIS 112 N -0.68 2.68 0.00 0.00 2.46 -0.29 -1.09 115.29 118.36 1ji3 s HIS 112 Ca 0.01 -0.17 0.00 0.00 0.47 0.00 0.00 55.06 55.36 1ji3 s HIS 112 Cb -0.06 -1.61 0.00 0.00 -0.13 0.00 0.00 32.58 30.78 1ji3 s HIS 112 CO 0.01 0.19 0.00 0.45 -2.47 0.00 0.00 174.74 172.92 1ji3 n SER 113 N 2.21 0.00 0.30 9.88 2.88 0.92 -1.14 113.62 128.67 1ji3 n SER 113 Ca -0.17 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.56 1ji3 n SER 113 Cb 0.52 0.00 1.01 0.00 -0.75 0.00 0.00 64.21 64.99 1ji3 n SER 113 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1ji3 h GLN 114 N 0.00 0.00 -0.77 -1.46 4.15 -1.85 0.52 115.11 115.69 1ji3 h GLN 114 Ca 0.00 0.00 0.22 0.00 0.77 0.00 0.00 58.65 59.64 1ji3 h GLN 114 Cb 0.00 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 1ji3 h GLN 114 CO 0.00 0.00 0.67 0.78 -1.93 0.00 0.00 178.83 178.35 1ji3 h GLY 115 N 0.00 0.00 1.88 2.39 0.00 -0.96 0.18 103.07 106.56 1ji3 h GLY 115 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.23 1ji3 h GLY 115 CO -0.00 0.00 -0.54 -1.33 0.00 0.00 0.00 176.54 174.67 1ji3 h GLY 116 N 0.00 0.14 1.24 4.60 0.00 -1.03 -0.78 103.07 107.25 1ji3 h GLY 116 Ca 0.37 -0.16 -0.19 0.00 0.00 0.00 0.00 47.33 47.35 1ji3 h GLY 116 CO -0.00 0.14 -0.59 1.46 0.00 0.00 0.00 176.54 177.55 1ji3 h GLN 117 N 0.10 0.78 -0.52 4.80 4.20 -0.83 -2.81 115.11 120.83 1ji3 h GLN 117 Ca -0.00 -0.52 -0.10 0.00 0.06 0.00 0.00 58.65 58.09 1ji3 h GLN 117 Cb 0.99 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 1ji3 h GLN 117 CO 0.08 1.15 -0.06 1.15 -0.67 0.00 0.00 178.83 180.48 1ji3 h THR 118 N 0.59 1.27 -0.06 -0.54 2.02 -1.06 -1.27 112.91 113.85 1ji3 h THR 118 Ca 0.00 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 65.99 1ji3 h THR 118 Cb 1.19 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1ji3 h THR 118 CO 0.12 0.42 0.03 0.00 0.37 0.00 0.00 175.52 176.46 1ji3 h ALA 119 N 0.93 0.08 -0.71 6.16 0.00 -1.18 -0.23 119.26 124.30 1ji3 h ALA 119 Ca 0.14 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1ji3 h ALA 119 Cb 0.60 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1ji3 h ALA 119 CO 0.04 -0.36 0.34 0.00 0.00 0.00 0.00 179.25 179.27 1ji3 h ARG 120 N -0.04 0.55 -0.24 0.00 3.08 -1.38 -2.03 114.38 114.32 1ji3 h ARG 120 Ca 0.02 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 1ji3 h ARG 120 Cb 0.13 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1ji3 h ARG 120 CO -0.00 0.36 -0.39 1.98 -1.07 0.00 0.00 179.97 180.85 1ji3 h MET 121 N 0.56 0.55 -0.60 0.04 4.05 -0.87 -1.91 114.93 116.76 1ji3 h MET 121 Ca 0.35 -0.27 -0.05 0.00 -0.28 0.00 0.00 59.70 59.45 1ji3 h MET 121 Cb 0.40 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 1ji3 h MET 121 CO -0.29 0.85 0.18 1.25 0.23 0.00 0.00 176.91 179.14 1ji3 h LEU 122 N 0.46 0.87 -0.56 3.39 5.85 -0.72 -0.84 115.31 123.77 1ji3 h LEU 122 Ca 0.04 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 1ji3 h LEU 122 Cb 0.89 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1ji3 h LEU 122 CO 0.08 0.85 0.18 0.58 -0.34 0.00 0.00 178.44 179.79 1ji3 h VAL 123 N 0.85 1.24 -0.64 1.05 2.07 -1.14 -0.60 116.25 119.07 1ji3 h VAL 123 Ca 0.19 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 1ji3 h VAL 123 Cb 0.29 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1ji3 h VAL 123 CO -0.01 0.30 0.22 -1.28 0.02 0.00 0.00 177.57 176.83 1ji3 h SER 124 N 0.78 0.89 0.07 0.57 0.87 -1.19 -2.21 113.55 113.33 1ji3 h SER 124 Ca 0.18 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1ji3 h SER 124 Cb 0.27 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1ji3 h SER 124 CO -0.01 0.82 -0.04 -0.07 -0.53 0.00 0.00 176.83 177.01 1ji3 h LEU 125 N 0.94 -0.08 -0.64 2.23 3.38 -0.93 -0.72 115.31 119.49 1ji3 h LEU 125 Ca 0.21 -0.31 0.13 0.00 0.09 0.00 0.00 57.88 58.01 1ji3 h LEU 125 Cb 0.23 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 40.89 1ji3 h LEU 125 CO -0.01 0.27 -0.05 -0.07 0.09 0.00 0.00 178.44 178.67 1ji3 h LEU 126 N -0.45 -0.38 -0.04 1.67 3.38 -1.03 0.94 115.31 119.40 1ji3 h LEU 126 Ca -0.01 0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1ji3 h LEU 126 Cb 0.39 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1ji3 h LEU 126 CO 0.02 -0.15 -0.14 -0.08 0.09 0.00 0.00 178.44 178.18 1ji3 h GLU 127 N 0.08 0.16 -0.00 1.13 4.81 -0.73 0.22 114.58 120.25 1ji3 h GLU 127 Ca 0.33 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1ji3 h GLU 127 Cb 0.53 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1ji3 h GLU 127 CO -0.58 0.76 -0.36 0.09 -0.73 0.00 0.00 179.01 178.19 1ji3 n ASN 128 N -4.62 0.59 0.00 1.04 3.02 -0.28 -1.55 115.26 113.45 1ji3 n ASN 128 Ca -0.08 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 1ji3 n ASN 128 Cb 0.40 0.88 0.00 0.00 -0.61 0.00 0.00 39.78 40.44 1ji3 n ASN 128 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ji3 n GLY 129 N 1.12 0.98 2.79 7.41 0.00 0.32 -4.42 105.19 113.41 1ji3 n GLY 129 Ca 0.02 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 1ji3 n GLY 129 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ji3 s SER 130 N -4.00 2.05 0.16 1.61 0.15 -0.40 -4.70 113.70 108.58 1ji3 s SER 130 Ca 0.00 -0.32 -0.15 0.00 0.70 0.00 0.00 55.95 56.18 1ji3 s SER 130 Cb 0.00 -0.57 0.08 0.00 -1.71 0.00 0.00 66.02 63.82 1ji3 s SER 130 CO 0.00 -0.21 1.76 -0.61 1.20 0.00 0.00 173.24 175.39 1ji3 h GLN 131 N 8.27 0.35 -0.78 5.44 4.15 -1.84 -1.45 115.11 129.25 1ji3 h GLN 131 Ca -0.21 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.23 1ji3 h GLN 131 Cb 1.12 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.68 1ji3 h GLN 131 CO 0.31 0.23 0.48 1.49 -1.93 0.00 0.00 178.83 179.41 1ji3 h GLU 132 N 0.36 0.89 -0.31 1.69 4.81 -1.97 -0.93 114.58 119.13 1ji3 h GLU 132 Ca 0.18 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.23 1ji3 h GLU 132 Cb 0.13 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1ji3 h GLU 132 CO -0.16 0.59 -0.33 0.93 -0.73 0.00 0.00 179.01 179.32 1ji3 h GLU 133 N 0.92 0.67 -0.11 1.92 4.39 -1.80 -1.06 114.58 119.51 1ji3 h GLU 133 Ca 0.32 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1ji3 h GLU 133 Cb 0.08 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1ji3 h GLU 133 CO -0.14 0.90 0.05 0.00 -1.16 0.00 0.00 179.01 178.66 1ji3 h ARG 134 N 0.56 0.16 -0.38 2.33 3.08 -0.55 -2.14 114.38 117.44 1ji3 h ARG 134 Ca 0.06 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1ji3 h ARG 134 Cb 0.83 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 1ji3 h ARG 134 CO 0.07 0.26 -0.02 0.93 -1.07 0.00 0.00 179.97 180.14 1ji3 h GLU 135 N 0.02 0.62 -0.30 0.04 5.08 -1.16 -2.83 114.58 116.05 1ji3 h GLU 135 Ca 0.04 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 1ji3 h GLU 135 Cb 0.16 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1ji3 h GLU 135 CO -0.00 0.65 -0.30 -0.92 -1.00 0.00 0.00 179.01 177.44 1ji3 h TYR 136 N 0.58 0.73 -0.18 4.33 5.03 -1.03 -2.62 116.97 123.80 1ji3 h TYR 136 Ca 0.12 -0.18 -0.01 0.00 2.58 0.00 0.00 58.73 61.24 1ji3 h TYR 136 Cb 0.40 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.50 1ji3 h TYR 136 CO 0.02 0.86 0.08 0.00 -1.32 0.00 0.00 178.16 177.80 1ji3 h ALA 137 N 1.13 0.23 -0.31 1.82 0.00 -1.14 0.05 119.26 121.04 1ji3 h ALA 137 Ca 0.07 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1ji3 h ALA 137 Cb 0.78 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ji3 h ALA 137 CO 0.06 -0.20 -0.38 0.87 0.00 0.00 0.00 179.25 179.60 1ji3 h LYS 138 N 0.16 0.82 -0.46 0.00 1.57 -1.58 0.33 116.57 117.40 1ji3 h LYS 138 Ca 0.06 -0.46 -0.05 0.00 -1.87 0.00 0.00 60.65 58.34 1ji3 h LYS 138 Cb 0.13 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1ji3 h LYS 138 CO -0.01 1.09 0.09 0.00 -0.57 0.00 0.00 179.45 180.06 1ji3 h ALA 139 N 0.71 1.30 -0.35 3.86 0.00 -1.23 -2.69 119.26 120.86 1ji3 h ALA 139 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ji3 h ALA 139 Cb 0.98 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ji3 h ALA 139 CO 0.09 0.49 0.00 0.72 0.00 0.00 0.00 179.25 180.55 1ji3 n HIS 140 N -4.29 0.45 -3.85 0.00 8.25 -0.02 -5.01 115.22 110.76 1ji3 n HIS 140 Ca 0.03 -0.25 -0.31 0.00 -0.26 0.00 0.00 57.72 56.94 1ji3 n HIS 140 Cb 0.22 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.34 1ji3 n HIS 140 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1ji3 n ASN 141 N 1.38 -2.96 -4.45 0.41 4.05 0.96 -5.00 115.26 109.64 1ji3 n ASN 141 Ca 0.18 -1.05 -0.25 0.00 0.45 0.00 0.00 54.58 53.91 1ji3 n ASN 141 Cb 0.58 -3.02 -0.10 0.00 1.23 0.00 0.00 39.78 38.46 1ji3 n ASN 141 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1ji3 s VAL 142 N -3.70 1.22 1.05 3.44 -7.23 0.01 -5.02 120.40 110.18 1ji3 s VAL 142 Ca 0.27 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.28 1ji3 s VAL 142 Cb -0.11 -2.67 0.22 0.00 0.56 0.00 0.00 36.38 34.38 1ji3 s VAL 142 CO 0.89 0.00 1.17 -0.94 -0.31 0.00 0.00 175.10 175.91 1ji3 s SER 143 N -3.60 2.25 -0.09 4.85 1.04 -1.26 -4.60 113.70 112.28 1ji3 s SER 143 Ca 0.30 0.64 -0.04 0.00 0.48 0.00 0.00 55.95 57.33 1ji3 s SER 143 Cb 0.07 -0.93 0.05 0.00 0.10 0.00 0.00 66.02 65.30 1ji3 s SER 143 CO 0.14 -3.30 0.20 -0.22 0.98 0.00 0.00 173.24 171.04 1ji3 s LEU 144 N -6.40 0.29 0.34 2.42 2.96 -1.26 -4.86 118.68 112.16 1ji3 s LEU 144 Ca 0.70 0.44 -0.29 0.00 -0.22 0.00 0.00 54.13 54.76 1ji3 s LEU 144 Cb -0.10 0.54 -0.10 0.00 0.50 0.00 0.00 46.19 47.03 1ji3 s LEU 144 CO 0.55 -0.19 1.37 -0.55 -1.32 0.00 0.00 176.35 176.21 1ji3 s SER 145 N 1.62 6.65 0.56 3.68 0.15 -1.26 -4.90 113.70 120.20 1ji3 s SER 145 Ca -0.05 2.79 0.29 0.00 0.70 0.00 0.00 55.95 59.67 1ji3 s SER 145 Cb -0.11 -2.65 1.47 0.00 -1.71 0.00 0.00 66.02 63.02 1ji3 s SER 145 CO -0.07 -0.64 1.93 -0.65 1.20 0.00 0.00 173.24 175.01 1ji3 h PRO 146 N 3.43 0.00 -0.72 5.44 0.11 -2.00 -1.18 132.00 137.07 1ji3 h PRO 146 Ca -0.49 0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.78 1ji3 h PRO 146 Cb 1.23 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 1ji3 h PRO 146 CO 0.66 0.00 0.49 1.25 -0.21 0.00 0.00 178.00 180.19 1ji3 h LEU 147 N 0.00 0.29 -0.58 2.35 7.12 -1.93 -0.76 115.31 121.80 1ji3 h LEU 147 Ca 0.26 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.29 1ji3 h LEU 147 Cb 1.21 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.30 1ji3 h LEU 147 CO -0.00 0.14 -0.07 0.49 -0.13 0.00 0.00 178.44 178.87 1ji3 n PHE 148 N -4.45 0.00 0.08 1.25 3.72 -0.45 -4.09 117.46 113.52 1ji3 n PHE 148 Ca 0.14 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.32 1ji3 n PHE 148 Cb 0.58 -0.06 -0.14 0.00 -0.94 0.00 0.00 39.48 38.92 1ji3 n PHE 148 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1ji3 h GLU 149 N 1.42 0.46 0.00 -1.08 3.07 -1.22 -1.05 114.58 116.18 1ji3 h GLU 149 Ca 0.00 -0.70 0.00 0.00 -0.50 0.00 0.00 59.36 58.16 1ji3 h GLU 149 Cb 0.40 0.25 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1ji3 h GLU 149 CO 0.00 1.32 0.00 0.41 -1.40 0.00 0.00 179.01 179.34 1ji3 n GLY 150 N 1.53 0.92 2.26 -3.84 0.00 -1.25 -4.37 105.19 100.44 1ji3 n GLY 150 Ca -0.14 -2.05 -0.05 0.00 0.00 0.00 0.00 46.02 43.77 1ji3 n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ji3 n GLY 151 N 1.10 0.75 3.55 -0.02 0.00 -0.60 -4.88 105.19 105.10 1ji3 n GLY 151 Ca 0.00 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 1ji3 n GLY 151 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ji3 s HIS 152 N -2.07 2.59 -0.30 1.61 3.76 0.05 -5.01 115.29 115.93 1ji3 s HIS 152 Ca 0.00 -0.24 -0.13 0.00 -0.15 0.00 0.00 55.06 54.55 1ji3 s HIS 152 Cb 0.00 -1.27 0.14 0.00 1.11 0.00 0.00 32.58 32.56 1ji3 s HIS 152 CO 0.00 0.51 0.82 -1.58 -0.85 0.00 0.00 174.74 173.64 1ji3 s HIS 153 N -1.69 -1.00 0.00 1.40 2.46 -1.26 -1.89 115.29 113.31 1ji3 s HIS 153 Ca 0.24 1.75 0.00 0.00 0.47 0.00 0.00 55.06 57.53 1ji3 s HIS 153 Cb -0.09 0.60 0.00 0.00 -0.13 0.00 0.00 32.58 32.96 1ji3 s HIS 153 CO 0.14 -0.50 0.00 1.97 -2.47 0.00 0.00 174.74 173.89 1ji3 n PHE 154 N 5.13 0.00 -3.34 3.88 1.16 -1.26 -5.00 117.46 118.03 1ji3 n PHE 154 Ca -0.11 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.04 1ji3 n PHE 154 Cb 0.51 0.03 -0.09 0.00 -1.61 0.00 0.00 39.48 38.32 1ji3 n PHE 154 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1ji3 s VAL 155 N 0.00 5.11 0.12 1.97 1.01 -1.26 -1.33 120.40 126.01 1ji3 s VAL 155 Ca 0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.56 1ji3 s VAL 155 Cb 0.00 -4.01 -0.17 0.00 0.00 0.00 0.00 36.38 32.20 1ji3 s VAL 155 CO 0.00 -0.38 1.30 0.25 0.00 0.00 0.00 175.10 176.27 1ji3 h LEU 156 N 8.99 0.71 -7.46 3.92 5.85 -1.28 -3.41 115.31 122.64 1ji3 h LEU 156 Ca -0.27 -0.53 -0.08 0.00 0.84 0.00 0.00 57.88 57.85 1ji3 h LEU 156 Cb 1.11 -0.22 -0.16 0.00 0.37 0.00 0.00 40.66 41.77 1ji3 h LEU 156 CO 0.78 1.31 -0.16 -0.94 -0.34 0.00 0.00 178.44 179.09 1ji3 s SER 157 N -7.12 -0.21 -0.09 1.25 1.04 -1.18 -1.10 113.70 106.29 1ji3 s SER 157 Ca -0.08 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.24 1ji3 s SER 157 Cb 0.09 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.63 1ji3 s SER 157 CO 0.88 -0.67 -0.11 -0.69 0.98 0.00 0.00 173.24 173.64 1ji3 s VAL 158 N -2.68 1.13 -0.09 5.02 1.01 0.73 -1.31 120.40 124.20 1ji3 s VAL 158 Ca -0.04 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1ji3 s VAL 158 Cb -0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 1ji3 s VAL 158 CO -0.04 0.37 -0.13 -0.89 0.00 0.00 0.00 175.10 174.41 1ji3 s THR 159 N 1.12 3.10 0.02 3.92 2.01 0.78 -0.79 115.64 125.80 1ji3 s THR 159 Ca -0.06 -0.67 0.08 0.00 0.31 0.00 0.00 61.69 61.35 1ji3 s THR 159 Cb -0.14 -2.26 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 1ji3 s THR 159 CO -0.02 0.56 -0.24 0.42 -0.69 0.00 0.00 174.62 174.65 1ji3 s THR 160 N -0.17 1.88 -0.14 -0.82 -4.23 0.90 -1.05 115.64 112.02 1ji3 s THR 160 Ca -0.00 -1.17 -0.00 0.00 -1.18 0.00 0.00 61.69 59.33 1ji3 s THR 160 Cb -0.13 -1.60 0.03 0.00 1.34 0.00 0.00 72.50 72.14 1ji3 s THR 160 CO 0.03 0.39 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.79 1ji3 s ILE 161 N -0.70 1.19 -1.45 2.99 1.01 -0.25 -0.44 121.20 123.55 1ji3 s ILE 161 Ca 0.09 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.18 1ji3 s ILE 161 Cb -0.09 -1.24 0.03 0.00 0.01 0.00 0.00 42.46 41.16 1ji3 s ILE 161 CO 0.01 0.29 0.51 0.00 0.00 0.00 0.00 174.94 175.74 1ji3 n ALA 162 N 4.87 -0.98 -2.42 9.38 0.00 -0.73 -0.05 120.51 130.59 1ji3 n ALA 162 Ca -0.13 0.21 -0.40 0.00 0.00 0.00 0.00 53.44 53.12 1ji3 n ALA 162 Cb 0.49 -3.33 -0.05 0.00 0.00 0.00 0.00 19.45 16.56 1ji3 n ALA 162 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ji3 s THR 163 N -3.06 4.75 -1.50 0.00 2.01 -1.26 -3.70 115.64 112.88 1ji3 s THR 163 Ca 0.30 1.62 -0.13 0.00 0.31 0.00 0.00 61.69 63.80 1ji3 s THR 163 Cb -0.15 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.26 1ji3 s THR 163 CO 0.37 0.36 2.42 -0.81 -0.69 0.00 0.00 174.62 176.27 1ji3 n PRO 164 N 2.86 3.12 0.14 4.92 -0.04 -1.26 -3.66 135.00 141.08 1ji3 n PRO 164 Ca -0.02 -2.53 0.11 0.00 -0.04 0.00 0.00 63.50 61.02 1ji3 n PRO 164 Cb 0.50 -3.14 0.62 0.00 -0.04 0.00 0.00 33.50 31.45 1ji3 n PRO 164 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ji3 h HIS 165 N 5.71 0.08 -0.38 0.54 3.86 -1.69 -0.09 115.15 123.18 1ji3 h HIS 165 Ca 0.65 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.83 1ji3 h HIS 165 Cb 0.54 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 1ji3 h HIS 165 CO 1.57 0.05 0.02 -0.25 0.86 0.00 0.00 177.93 180.18 1ji3 n ASP 166 N -4.48 4.33 0.00 2.45 8.00 -1.17 -4.68 116.55 121.00 1ji3 n ASP 166 Ca 0.02 -3.07 0.00 0.00 0.71 0.00 0.00 54.79 52.46 1ji3 n ASP 166 Cb 0.25 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 1ji3 n ASP 166 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ji3 n GLY 167 N -0.25 -0.87 3.08 0.44 0.00 -0.05 -4.41 105.19 103.13 1ji3 n GLY 167 Ca 0.25 -1.68 -0.21 0.00 0.00 0.00 0.00 46.02 44.39 1ji3 n GLY 167 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ji3 s THR 168 N -1.51 0.97 -1.18 2.61 -1.32 -0.69 -4.66 115.64 109.86 1ji3 s THR 168 Ca 0.00 -0.58 0.18 0.00 -1.21 0.00 0.00 61.69 60.09 1ji3 s THR 168 Cb 0.00 -0.82 0.22 0.00 -1.51 0.00 0.00 72.50 70.39 1ji3 s THR 168 CO 0.00 0.24 1.58 0.35 -2.21 0.00 0.00 174.62 174.57 1ji3 n THR 169 N 2.67 0.62 -0.12 5.08 -2.24 -1.26 -3.36 114.28 115.67 1ji3 n THR 169 Ca -0.14 0.16 0.24 0.00 -2.27 0.00 0.00 64.05 62.03 1ji3 n THR 169 Cb 0.56 -0.85 0.68 0.00 -2.10 0.00 0.00 70.33 68.62 1ji3 n THR 169 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1ji3 h LEU 170 N 0.00 0.07 -0.82 3.22 5.85 -1.94 0.19 115.31 121.87 1ji3 h LEU 170 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1ji3 h LEU 170 Cb 0.25 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1ji3 h LEU 170 CO 0.00 0.03 0.00 0.52 -0.34 0.00 0.00 178.44 178.65 1ji3 n VAL 171 N -4.34 0.83 1.33 1.05 0.31 -1.21 -2.05 118.33 114.24 1ji3 n VAL 171 Ca 0.15 0.27 0.14 0.00 -0.01 0.00 0.00 64.34 64.89 1ji3 n VAL 171 Cb 0.79 -1.22 0.49 0.00 -0.91 0.00 0.00 33.84 32.99 1ji3 n VAL 171 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1ji3 n ASN 172 N -2.29 0.77 -4.73 4.52 3.02 0.66 -4.85 115.26 112.36 1ji3 n ASN 172 Ca 0.02 -0.76 -0.39 0.00 -0.03 0.00 0.00 54.58 53.42 1ji3 n ASN 172 Cb 0.22 0.03 0.03 0.00 -0.61 0.00 0.00 39.78 39.45 1ji3 n ASN 172 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1ji3 n MET 173 N -0.77 1.85 0.04 3.52 2.81 -0.87 -4.92 117.12 118.77 1ji3 n MET 173 Ca 0.13 0.67 -0.11 0.00 -1.81 0.00 0.00 57.70 56.59 1ji3 n MET 173 Cb 0.31 -2.53 -0.05 0.00 -0.71 0.00 0.00 33.22 30.25 1ji3 n MET 173 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1ji3 h VAL 174 N 1.74 0.71 -0.86 2.03 2.07 -1.90 -2.20 116.25 117.84 1ji3 h VAL 174 Ca -0.50 0.00 -0.54 0.00 0.82 0.00 0.00 66.70 66.48 1ji3 h VAL 174 Cb 1.30 0.71 -0.25 0.00 -1.52 0.00 0.00 31.29 31.53 1ji3 h VAL 174 CO 0.58 0.00 0.70 0.47 0.02 0.00 0.00 177.57 179.34 1ji3 n ASP 175 N -5.24 6.23 -0.24 0.57 8.00 -1.26 -4.69 116.55 119.92 1ji3 n ASP 175 Ca -0.05 -3.53 0.03 0.00 0.71 0.00 0.00 54.79 51.95 1ji3 n ASP 175 Cb 0.16 -0.94 0.15 0.00 -0.02 0.00 0.00 41.12 40.48 1ji3 n ASP 175 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1ji3 h PHE 176 N 1.55 0.46 0.03 1.24 3.57 -1.72 -0.65 116.94 121.41 1ji3 h PHE 176 Ca 0.53 0.03 0.02 0.00 3.53 0.00 0.00 57.97 62.09 1ji3 h PHE 176 Cb 1.39 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.98 1ji3 h PHE 176 CO 1.30 0.08 -0.47 1.15 -2.23 0.00 0.00 178.31 178.14 1ji3 h THR 177 N 0.43 0.09 -0.50 4.41 2.02 -1.86 0.41 112.91 117.91 1ji3 h THR 177 Ca 0.37 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.48 1ji3 h THR 177 Cb 0.52 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1ji3 h THR 177 CO -0.37 0.00 0.06 0.44 0.37 0.00 0.00 175.52 176.02 1ji3 h ASP 178 N -0.64 0.82 -0.81 4.18 3.32 -1.83 -2.67 116.42 118.79 1ji3 h ASP 178 Ca 0.03 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 56.77 1ji3 h ASP 178 Cb 0.70 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 1ji3 h ASP 178 CO -0.32 0.89 0.36 0.03 -1.72 0.00 0.00 179.24 178.48 1ji3 h ARG 179 N 0.72 1.19 -0.36 3.56 2.47 -0.94 0.01 114.38 121.02 1ji3 h ARG 179 Ca 0.15 -0.19 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1ji3 h ARG 179 Cb 0.44 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 1ji3 h ARG 179 CO 0.01 0.93 0.23 0.35 0.56 0.00 0.00 179.97 182.06 1ji3 h PHE 180 N 1.17 0.47 0.00 3.04 3.04 0.05 -0.38 116.94 124.33 1ji3 h PHE 180 Ca 0.28 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.18 1ji3 h PHE 180 Cb 0.16 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.51 1ji3 h PHE 180 CO 0.02 0.32 -0.24 0.74 -2.02 0.00 0.00 178.31 177.13 1ji3 h PHE 181 N 0.48 0.00 -0.04 0.41 0.04 -1.28 -1.46 116.94 115.09 1ji3 h PHE 181 Ca 0.13 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.80 1ji3 h PHE 181 Cb -0.02 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 1ji3 h PHE 181 CO -0.04 0.24 -0.44 -0.44 -0.60 0.00 0.00 178.31 177.03 1ji3 h ASP 182 N 0.00 0.10 -0.64 2.17 3.32 -0.54 -2.03 116.42 118.79 1ji3 h ASP 182 Ca -0.00 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 1ji3 h ASP 182 Cb 0.84 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 1ji3 h ASP 182 CO 0.03 0.53 0.16 0.25 -1.72 0.00 0.00 179.24 178.49 1ji3 h LEU 183 N 0.08 0.98 -0.72 1.55 5.85 -0.05 -0.94 115.31 122.05 1ji3 h LEU 183 Ca 0.00 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.56 1ji3 h LEU 183 Cb 0.81 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 1ji3 h LEU 183 CO 0.06 0.96 0.39 1.56 -0.34 0.00 0.00 178.44 181.07 1ji3 h GLN 184 N 0.95 0.68 -0.55 1.25 1.08 -1.10 -1.04 115.11 116.38 1ji3 h GLN 184 Ca 0.20 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.31 1ji3 h GLN 184 Cb 0.36 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.61 1ji3 h GLN 184 CO 0.00 0.45 0.14 0.87 -0.95 0.00 0.00 178.83 179.34 1ji3 h LYS 185 N 0.70 0.83 -0.28 1.46 1.57 -0.64 -0.42 116.57 119.79 1ji3 h LYS 185 Ca 0.33 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.86 1ji3 h LYS 185 Cb 0.26 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1ji3 h LYS 185 CO -0.22 0.74 -0.21 0.00 -0.57 0.00 0.00 179.45 179.20 1ji3 h ALA 186 N 1.35 1.13 -0.22 3.86 0.00 -0.22 -0.23 119.26 124.93 1ji3 h ALA 186 Ca 0.18 -0.32 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 1ji3 h ALA 186 Cb 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ji3 h ALA 186 CO -0.00 0.55 -0.62 0.28 0.00 0.00 0.00 179.25 179.45 1ji3 h VAL 187 N 0.46 1.29 -0.72 0.00 2.07 -0.63 -0.72 116.25 118.00 1ji3 h VAL 187 Ca 0.07 -1.84 0.08 0.00 0.82 0.00 0.00 66.70 65.83 1ji3 h VAL 187 Cb 0.62 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 32.11 1ji3 h VAL 187 CO 0.04 0.59 0.40 -0.07 0.02 0.00 0.00 177.57 178.55 1ji3 h LEU 188 N 0.56 0.57 -0.52 2.57 3.38 -0.50 -2.28 115.31 119.08 1ji3 h LEU 188 Ca -0.01 0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 1ji3 h LEU 188 Cb 1.22 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1ji3 h LEU 188 CO 0.13 0.35 -0.60 -0.08 0.09 0.00 0.00 178.44 178.33 1ji3 h GLU 189 N 0.70 0.47 -0.28 1.13 4.81 -0.59 0.53 114.58 121.35 1ji3 h GLU 189 Ca 0.34 -0.32 0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1ji3 h GLU 189 Cb 0.27 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1ji3 h GLU 189 CO -0.22 0.93 0.20 0.00 -0.73 0.00 0.00 179.01 179.19 1ji3 h ALA 190 N 1.00 2.26 -0.30 2.92 0.00 -0.82 0.15 119.26 124.48 1ji3 h ALA 190 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ji3 h ALA 190 Cb 1.14 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ji3 h ALA 190 CO 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.02 1ji3 n ALA 191 N -2.59 2.53 -3.45 0.00 0.00 -0.45 -4.90 120.51 111.64 1ji3 n ALA 191 Ca 0.04 -0.56 -0.22 0.00 0.00 0.00 0.00 53.44 52.69 1ji3 n ALA 191 Cb 0.36 -0.98 0.07 0.00 0.00 0.00 0.00 19.45 18.89 1ji3 n ALA 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ji3 n ALA 192 N 0.38 -1.19 -3.27 0.00 0.00 0.53 -4.94 120.51 112.02 1ji3 n ALA 192 Ca 0.10 0.37 -0.32 0.00 0.00 0.00 0.00 53.44 53.59 1ji3 n ALA 192 Cb 0.30 -5.04 -0.16 0.00 0.00 0.00 0.00 19.45 14.55 1ji3 n ALA 192 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ji3 s VAL 193 N -3.28 2.26 0.47 0.00 1.01 0.05 -5.00 120.40 115.91 1ji3 s VAL 193 Ca 0.52 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 1ji3 s VAL 193 Cb -0.23 -1.89 -0.08 0.00 0.00 0.00 0.00 36.38 34.19 1ji3 s VAL 193 CO 0.64 0.55 0.91 0.00 0.00 0.00 0.00 175.10 177.20 1ji3 s ALA 194 N 0.43 3.16 -1.84 5.51 0.00 -1.26 -3.47 121.76 124.28 1ji3 s ALA 194 Ca -0.15 0.08 0.15 0.00 0.00 0.00 0.00 51.96 52.04 1ji3 s ALA 194 Cb -0.17 -2.99 0.11 0.00 0.00 0.00 0.00 23.12 20.07 1ji3 s ALA 194 CO 0.06 -0.12 0.96 -1.13 0.00 0.00 0.00 175.76 175.54 1ji3 n SER 195 N -1.38 2.20 -1.36 0.00 3.41 -1.26 -4.38 113.62 110.85 1ji3 n SER 195 Ca 0.05 -1.60 -0.07 0.00 -0.26 0.00 0.00 58.87 56.99 1ji3 n SER 195 Cb 0.54 0.04 0.20 0.00 -0.26 0.00 0.00 64.21 64.73 1ji3 n SER 195 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1ji3 n ASN 196 N 0.77 2.85 -4.02 4.04 2.04 -1.26 -0.78 115.26 118.90 1ji3 n ASN 196 Ca 0.09 -3.69 -0.25 0.00 -0.44 0.00 0.00 54.58 50.28 1ji3 n ASN 196 Cb 0.37 -0.67 -0.17 0.00 -2.53 0.00 0.00 39.78 36.79 1ji3 n ASN 196 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1ji3 s VAL 197 N -3.23 1.19 -1.10 3.53 1.01 -1.26 -4.94 120.40 115.61 1ji3 s VAL 197 Ca 0.47 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 1ji3 s VAL 197 Cb 0.42 -1.09 -0.06 0.00 0.00 0.00 0.00 36.38 35.64 1ji3 s VAL 197 CO 0.03 0.37 2.32 -0.81 0.00 0.00 0.00 175.10 177.01 1ji3 n PRO 198 N 3.97 2.49 -1.62 2.72 -0.04 -1.26 -4.39 135.00 136.88 1ji3 n PRO 198 Ca -0.21 -1.65 -0.55 0.00 -0.04 0.00 0.00 63.50 61.05 1ji3 n PRO 198 Cb 0.51 -2.54 -0.07 0.00 -0.04 0.00 0.00 33.50 31.36 1ji3 n PRO 198 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ji3 n TYR 199 N 4.07 1.55 -0.05 0.54 4.01 -1.26 -4.45 117.16 121.57 1ji3 n TYR 199 Ca 0.53 0.68 -0.14 0.00 -0.16 0.00 0.00 57.90 58.82 1ji3 n TYR 199 Cb 0.16 -2.33 -0.02 0.00 -0.31 0.00 0.00 39.34 36.84 1ji3 n TYR 199 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1ji3 h THR 200 N 3.83 1.29 -4.48 -0.72 2.02 -1.96 -3.42 112.91 109.45 1ji3 h THR 200 Ca -0.48 -1.77 -0.47 0.00 0.77 0.00 0.00 66.41 64.46 1ji3 h THR 200 Cb 1.34 1.70 0.10 0.00 -1.74 0.00 0.00 68.15 69.55 1ji3 h THR 200 CO 0.82 0.57 0.38 -0.94 0.37 0.00 0.00 175.52 176.72 1ji3 s SER 201 N -6.96 4.56 0.00 4.18 1.04 -1.26 -5.01 113.70 110.25 1ji3 s SER 201 Ca -0.10 0.73 -0.19 0.00 0.48 0.00 0.00 55.95 56.87 1ji3 s SER 201 Cb 0.10 -1.25 -0.26 0.00 0.10 0.00 0.00 66.02 64.72 1ji3 s SER 201 CO 0.88 -1.85 1.07 1.56 0.98 0.00 0.00 173.24 175.87 1ji3 h GLN 202 N -0.98 0.43 0.00 4.02 4.20 -2.01 -3.47 115.11 117.30 1ji3 h GLN 202 Ca -0.46 -0.51 0.00 0.00 0.06 0.00 0.00 58.65 57.74 1ji3 h GLN 202 Cb 1.33 0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.26 1ji3 h GLN 202 CO 0.65 1.17 0.00 1.55 -0.67 0.00 0.00 178.83 181.53 1ji3 n VAL 203 N -4.14 0.00 -3.34 -0.54 3.14 -1.26 -4.45 118.33 107.75 1ji3 n VAL 203 Ca -0.11 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.15 1ji3 n VAL 203 Cb 0.75 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.45 1ji3 n VAL 203 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 1ji3 s TYR 204 N 0.00 -0.83 -0.30 1.45 5.04 -1.26 0.51 117.35 121.96 1ji3 s TYR 204 Ca 0.00 0.22 -0.18 0.00 -2.44 0.00 0.00 57.07 54.67 1ji3 s TYR 204 Cb 0.00 -0.23 -0.02 0.00 0.35 0.00 0.00 41.96 42.06 1ji3 s TYR 204 CO 0.00 -0.94 0.50 0.34 -1.34 0.00 0.00 175.55 174.10 1ji3 s ASP 205 N 2.49 6.36 0.00 4.32 2.15 -1.26 -4.96 116.67 125.77 1ji3 s ASP 205 Ca 0.10 0.25 0.16 0.00 0.43 0.00 0.00 52.55 53.49 1ji3 s ASP 205 Cb -0.13 -2.27 0.80 0.00 -0.30 0.00 0.00 42.92 41.03 1ji3 s ASP 205 CO -0.30 -0.36 1.47 0.49 -0.17 0.00 0.00 175.17 176.30 1ji3 n PHE 206 N 5.61 0.00 -3.56 -5.34 3.01 -1.26 -4.91 117.46 111.02 1ji3 n PHE 206 Ca -0.05 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.19 1ji3 n PHE 206 Cb 0.49 -0.30 0.08 0.00 -0.01 0.00 0.00 39.48 39.74 1ji3 n PHE 206 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1ji3 n LYS 207 N -1.30 -7.71 -1.22 -1.08 5.02 -1.26 -4.26 118.16 106.35 1ji3 n LYS 207 Ca 0.07 0.83 -0.24 0.00 -2.02 0.00 0.00 58.31 56.95 1ji3 n LYS 207 Cb 0.13 -5.87 0.16 0.00 -0.02 0.00 0.00 35.03 29.43 1ji3 n LYS 207 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ji3 n LEU 208 N -4.83 6.66 -0.34 -0.35 4.77 -1.26 -4.58 117.00 117.07 1ji3 n LEU 208 Ca -0.05 -3.76 0.16 0.00 -0.03 0.00 0.00 56.01 52.33 1ji3 n LEU 208 Cb 0.58 -0.84 0.38 0.00 -2.33 0.00 0.00 43.42 41.21 1ji3 n LEU 208 CO 0.64 1.16 1.19 0.44 -1.33 0.00 0.00 177.39 179.49 1ji3 h ASP 209 N 1.19 0.69 -0.41 -1.43 5.19 -1.91 -1.64 116.42 118.10 1ji3 h ASP 209 Ca 0.59 0.10 -0.04 0.00 -0.62 0.00 0.00 57.03 57.07 1ji3 h ASP 209 Cb 2.39 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 41.86 1ji3 h ASP 209 CO 1.13 0.19 0.13 0.06 -3.12 0.00 0.00 179.24 177.63 1ji3 h GLN 210 N 0.64 0.70 -0.07 3.56 -0.00 -1.83 -2.45 115.11 115.66 1ji3 h GLN 210 Ca 0.59 -0.12 0.00 0.00 -0.00 0.00 0.00 58.65 59.12 1ji3 h GLN 210 Cb 1.09 -0.12 0.00 0.00 -0.00 0.00 0.00 27.48 28.46 1ji3 h GLN 210 CO -0.38 0.63 0.00 0.91 -0.00 0.00 0.00 178.83 179.98 1ji3 n TRP 211 N -4.31 0.07 -1.86 0.06 7.02 -0.73 -1.07 117.44 116.62 1ji3 n TRP 211 Ca 0.03 -0.04 -0.12 0.00 -1.02 0.00 0.00 57.50 56.35 1ji3 n TRP 211 Cb 0.20 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.06 1ji3 n TRP 211 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ji3 n GLY 212 N 1.24 0.48 3.69 6.99 0.00 -0.79 -5.00 105.19 111.80 1ji3 n GLY 212 Ca 0.17 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1ji3 n GLY 212 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ji3 s LEU 213 N -3.22 3.76 -0.26 0.99 1.43 -0.70 -5.01 118.68 115.68 1ji3 s LEU 213 Ca 0.00 0.17 -0.23 0.00 -1.03 0.00 0.00 54.13 53.04 1ji3 s LEU 213 Cb 0.00 -1.90 0.07 0.00 0.03 0.00 0.00 46.19 44.39 1ji3 s LEU 213 CO 0.00 0.31 0.68 -0.13 0.23 0.00 0.00 176.35 177.44 1ji3 s ARG 214 N -0.48 0.78 0.24 1.70 3.00 -1.26 -4.20 118.95 118.72 1ji3 s ARG 214 Ca 0.09 0.97 -0.30 0.00 0.00 0.00 0.00 55.73 56.49 1ji3 s ARG 214 Cb -0.12 0.36 -0.10 0.00 0.00 0.00 0.00 34.95 35.08 1ji3 s ARG 214 CO 0.02 -0.10 1.50 0.50 0.00 0.00 0.00 175.30 177.22 1ji3 s ARG 215 N 0.50 4.23 0.21 3.54 3.52 -1.26 -5.00 118.95 124.69 1ji3 s ARG 215 Ca -0.01 2.37 -0.10 0.00 -0.13 0.00 0.00 55.73 57.86 1ji3 s ARG 215 Cb -0.05 -3.10 -0.07 0.00 -1.56 0.00 0.00 34.95 30.17 1ji3 s ARG 215 CO -0.01 -0.50 0.53 -0.65 -0.81 0.00 0.00 175.30 173.86 1ji3 s GLN 216 N -0.10 3.81 0.00 5.12 -0.21 -1.26 -5.01 119.66 122.01 1ji3 s GLN 216 Ca 0.62 0.28 -0.31 0.00 0.02 0.00 0.00 55.36 55.97 1ji3 s GLN 216 Cb -0.43 -2.71 -0.10 0.00 1.00 0.00 0.00 33.01 30.77 1ji3 s GLN 216 CO 0.42 0.35 1.96 -2.30 -2.12 0.00 0.00 175.29 173.60 1ji3 n PRO 217 N 0.03 2.69 -0.14 2.91 -0.02 -1.26 -0.81 135.00 138.41 1ji3 n PRO 217 Ca -0.01 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 1ji3 n PRO 217 Cb 0.52 -2.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 1ji3 n PRO 217 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ji3 n GLY 218 N 4.53 0.75 3.40 -1.23 0.00 -1.26 -5.08 105.19 106.30 1ji3 n GLY 218 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1ji3 n GLY 218 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ji3 s GLU 219 N -0.86 3.16 0.78 1.61 2.12 0.01 -4.80 118.70 120.71 1ji3 s GLU 219 Ca 0.00 -0.68 -0.12 0.00 0.36 0.00 0.00 54.97 54.53 1ji3 s GLU 219 Cb 0.00 -2.57 0.06 0.00 0.26 0.00 0.00 34.13 31.89 1ji3 s GLU 219 CO 0.00 0.32 1.16 -1.54 -0.54 0.00 0.00 175.26 174.66 1ji3 s SER 220 N 0.06 4.73 0.27 -1.70 1.04 -1.26 -4.39 113.70 112.44 1ji3 s SER 220 Ca -0.05 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.24 1ji3 s SER 220 Cb -0.14 -1.43 0.36 0.00 0.10 0.00 0.00 66.02 64.91 1ji3 s SER 220 CO 0.04 -1.77 1.72 -0.26 0.98 0.00 0.00 173.24 173.95 1ji3 h PHE 221 N -0.96 0.67 -0.26 5.02 0.04 -1.72 -0.01 116.94 119.72 1ji3 h PHE 221 Ca -0.46 -0.13 0.06 0.00 2.80 0.00 0.00 57.97 60.24 1ji3 h PHE 221 Cb 1.31 -0.17 -0.06 0.00 2.20 0.00 0.00 35.95 39.23 1ji3 h PHE 221 CO 0.36 0.75 -0.13 -0.44 -0.60 0.00 0.00 178.31 178.24 1ji3 h ASP 222 N 0.55 -0.44 -0.15 2.17 3.32 -1.33 0.30 116.42 120.84 1ji3 h ASP 222 Ca 0.09 0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.14 1ji3 h ASP 222 Cb 0.61 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1ji3 h ASP 222 CO 0.04 -0.17 -0.32 -0.74 -1.72 0.00 0.00 179.24 176.34 1ji3 h HIS 223 N -0.10 0.61 -0.00 4.55 2.76 -1.74 -2.20 115.15 119.03 1ji3 h HIS 223 Ca 0.14 -0.23 0.03 0.00 -2.20 0.00 0.00 60.37 58.11 1ji3 h HIS 223 Cb 0.31 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.12 1ji3 h HIS 223 CO -0.31 0.95 -0.17 -0.92 -1.30 0.00 0.00 177.93 176.17 1ji3 h TYR 224 N 0.10 -0.45 -0.79 5.26 3.20 -0.85 -1.52 116.97 121.92 1ji3 h TYR 224 Ca 0.00 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.97 1ji3 h TYR 224 Cb 0.92 0.20 -0.05 0.00 1.54 0.00 0.00 36.73 39.34 1ji3 h TYR 224 CO 0.10 -0.25 0.51 0.74 -1.64 0.00 0.00 178.16 177.62 1ji3 h PHE 225 N -0.28 0.81 -0.60 -3.82 0.04 -0.34 0.66 116.94 113.41 1ji3 h PHE 225 Ca 0.06 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1ji3 h PHE 225 Cb 0.36 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 1ji3 h PHE 225 CO -0.23 0.40 0.35 0.93 -0.60 0.00 0.00 178.31 179.16 1ji3 h GLU 226 N 0.77 0.82 -0.17 1.51 4.39 -0.63 -1.23 114.58 120.03 1ji3 h GLU 226 Ca 0.35 -0.07 -0.20 0.00 0.34 0.00 0.00 59.36 59.78 1ji3 h GLU 226 Cb 0.36 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1ji3 h GLU 226 CO -0.13 0.58 -0.68 0.00 -1.16 0.00 0.00 179.01 177.62 1ji3 h ARG 227 N 0.83 0.70 -0.56 2.33 3.08 -0.57 -3.14 114.38 117.05 1ji3 h ARG 227 Ca 0.22 -0.52 -0.02 0.00 0.07 0.00 0.00 59.98 59.73 1ji3 h ARG 227 Cb -0.01 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1ji3 h ARG 227 CO -0.04 1.14 0.26 -0.07 -1.07 0.00 0.00 179.97 180.19 1ji3 h LEU 228 N 0.50 0.72 -2.03 3.04 3.38 -0.24 0.03 115.31 120.71 1ji3 h LEU 228 Ca -0.02 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1ji3 h LEU 228 Cb 1.28 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1ji3 h LEU 228 CO 0.14 0.62 -0.09 0.11 0.09 0.00 0.00 178.44 179.31 1ji3 h LYS 229 N 0.79 0.00 -0.32 1.13 1.57 -1.20 -0.87 116.57 117.67 1ji3 h LYS 229 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1ji3 h LYS 229 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1ji3 h LYS 229 CO -0.02 0.09 0.00 0.54 -0.57 0.00 0.00 179.45 179.48 1ji3 n ARG 230 N -3.54 2.20 -3.36 3.15 1.74 -0.07 -4.72 116.66 112.06 1ji3 n ARG 230 Ca -0.02 -2.01 -0.20 0.00 -0.77 0.00 0.00 57.85 54.85 1ji3 n ARG 230 Cb 0.21 -1.39 -0.01 0.00 -1.02 0.00 0.00 32.46 30.26 1ji3 n ARG 230 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ji3 s SER 231 N -1.21 5.20 0.65 0.55 1.04 -0.33 -4.92 113.70 114.67 1ji3 s SER 231 Ca 0.30 -0.70 0.43 0.00 0.48 0.00 0.00 55.95 56.45 1ji3 s SER 231 Cb 0.17 -0.41 2.27 0.00 0.10 0.00 0.00 66.02 68.15 1ji3 s SER 231 CO 0.24 -0.80 2.32 -0.65 0.98 0.00 0.00 173.24 175.32 1ji3 h PRO 232 N 0.79 0.00 0.00 4.02 0.11 -1.91 -0.61 132.00 134.39 1ji3 h PRO 232 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1ji3 h PRO 232 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1ji3 h PRO 232 CO 0.52 0.00 0.00 1.55 -0.21 0.00 0.00 178.00 179.86 1ji3 n VAL 233 N -3.11 0.00 -0.03 3.15 3.14 -1.26 -1.88 118.33 118.35 1ji3 n VAL 233 Ca -0.02 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.34 1ji3 n VAL 233 Cb 0.11 -0.50 -0.06 0.00 -1.06 0.00 0.00 33.84 32.32 1ji3 n VAL 233 CO 0.00 0.00 0.00 1.87 -6.46 0.00 0.00 176.83 172.24 1ji3 n TRP 234 N -1.32 0.00 0.75 1.45 -0.00 -0.34 -4.67 117.44 113.31 1ji3 n TRP 234 Ca 0.13 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.71 1ji3 n TRP 234 Cb 0.26 -0.34 -0.04 0.00 -0.00 0.00 0.00 31.31 31.19 1ji3 n TRP 234 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 1ji3 n THR 235 N -2.17 0.00 -2.65 5.87 -2.24 -0.57 -4.95 114.28 107.57 1ji3 n THR 235 Ca -0.10 -0.24 -0.23 0.00 -2.27 0.00 0.00 64.05 61.21 1ji3 n THR 235 Cb 0.63 1.12 0.11 0.00 -2.10 0.00 0.00 70.33 70.08 1ji3 n THR 235 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ji3 s SER 236 N -2.19 4.39 0.00 3.42 1.04 -0.78 -4.99 113.70 114.58 1ji3 s SER 236 Ca 0.11 -0.46 0.28 0.00 0.48 0.00 0.00 55.95 56.35 1ji3 s SER 236 Cb 0.13 0.09 0.98 0.00 0.10 0.00 0.00 66.02 67.32 1ji3 s SER 236 CO 0.52 -1.84 1.72 0.35 0.98 0.00 0.00 173.24 174.98 1ji3 n THR 237 N -2.78 0.00 -1.93 2.02 -2.24 -1.26 -4.31 114.28 103.77 1ji3 n THR 237 Ca 0.16 -0.04 -0.39 0.00 -2.27 0.00 0.00 64.05 61.50 1ji3 n THR 237 Cb 0.61 -0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.81 1ji3 n THR 237 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ji3 n ASP 238 N -1.15 7.95 -3.98 3.42 2.03 -1.26 -4.75 116.55 118.82 1ji3 n ASP 238 Ca 0.11 -3.13 -0.08 0.00 0.52 0.00 0.00 54.79 52.20 1ji3 n ASP 238 Cb 0.31 -1.36 -0.09 0.00 -0.72 0.00 0.00 41.12 39.27 1ji3 n ASP 238 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ji3 s THR 239 N -1.15 0.17 0.27 5.18 -4.23 -1.26 -3.70 115.64 110.93 1ji3 s THR 239 Ca 0.55 -1.50 -0.03 0.00 -1.18 0.00 0.00 61.69 59.53 1ji3 s THR 239 Cb 0.20 -1.47 0.27 0.00 1.34 0.00 0.00 72.50 72.84 1ji3 s THR 239 CO -0.10 -0.79 1.92 0.00 -0.54 0.00 0.00 174.62 175.11 1ji3 h ALA 240 N 2.92 1.37 -0.69 3.99 0.00 -0.97 -1.95 119.26 123.94 1ji3 h ALA 240 Ca -0.34 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1ji3 h ALA 240 Cb 1.17 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1ji3 h ALA 240 CO 0.60 0.55 0.42 -0.09 0.00 0.00 0.00 179.25 180.73 1ji3 h ARG 241 N 1.23 0.79 -0.23 0.00 2.43 -1.86 0.15 114.38 116.89 1ji3 h ARG 241 Ca 0.38 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.37 1ji3 h ARG 241 Cb -0.02 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.35 1ji3 h ARG 241 CO -0.11 0.52 -0.38 -0.92 -1.51 0.00 0.00 179.97 177.57 1ji3 h TYR 242 N 0.81 0.82 0.00 2.20 3.20 -1.78 -2.98 116.97 119.24 1ji3 h TYR 242 Ca 0.29 -0.28 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1ji3 h TYR 242 Cb 0.07 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.18 1ji3 h TYR 242 CO -0.05 1.04 -0.09 -0.44 -1.64 0.00 0.00 178.16 176.98 1ji3 h ASP 243 N 0.36 0.00 1.44 -2.11 3.32 -0.66 -2.52 116.42 116.25 1ji3 h ASP 243 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1ji3 h ASP 243 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1ji3 h ASP 243 CO 0.09 0.09 0.00 0.25 -1.72 0.00 0.00 179.24 177.94 1ji3 h LEU 244 N 0.00 0.00-10.22 1.55 5.85 -0.56 -3.18 115.31 108.75 1ji3 h LEU 244 Ca -0.00 0.00 -0.48 0.00 0.84 0.00 0.00 57.88 58.24 1ji3 h LEU 244 Cb 0.42 0.00 0.04 0.00 0.37 0.00 0.00 40.66 41.48 1ji3 h LEU 244 CO 0.01 0.00 0.38 -0.94 -0.34 0.00 0.00 178.44 177.55 1ji3 s SER 245 N -4.98 6.32 0.23 1.25 1.04 -0.95 -1.71 113.70 114.90 1ji3 s SER 245 Ca 0.08 1.62 -0.08 0.00 0.48 0.00 0.00 55.95 58.05 1ji3 s SER 245 Cb 0.10 -2.51 0.24 0.00 0.10 0.00 0.00 66.02 63.95 1ji3 s SER 245 CO 0.58 -0.80 1.87 0.58 0.98 0.00 0.00 173.24 176.44 1ji3 h VAL 246 N 0.60 1.12 -0.26 5.02 2.07 -1.77 0.18 116.25 123.21 1ji3 h VAL 246 Ca -0.46 -0.35 -0.17 0.00 0.82 0.00 0.00 66.70 66.55 1ji3 h VAL 246 Cb 1.20 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1ji3 h VAL 246 CO 0.60 0.18 -0.50 0.77 0.02 0.00 0.00 177.57 178.65 1ji3 h SER 247 N 1.01 0.80 -0.67 0.57 4.64 -1.90 -1.89 113.55 116.11 1ji3 h SER 247 Ca 0.33 -0.41 -0.06 0.00 -0.47 0.00 0.00 61.79 61.18 1ji3 h SER 247 Cb 0.02 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 1ji3 h SER 247 CO -0.12 1.16 0.19 1.23 -0.87 0.00 0.00 176.83 178.42 1ji3 h GLY 248 N 0.89 1.15 1.47 -0.77 0.00 -1.54 -2.04 103.07 102.23 1ji3 h GLY 248 Ca 0.02 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.59 1ji3 h GLY 248 CO 0.10 0.64 -0.08 0.00 0.00 0.00 0.00 176.54 177.21 1ji3 h ALA 249 N 1.18 1.15 -0.39 3.60 0.00 -0.59 -1.81 119.26 122.40 1ji3 h ALA 249 Ca 0.22 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1ji3 h ALA 249 Cb 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ji3 h ALA 249 CO -0.00 0.54 -0.07 1.49 0.00 0.00 0.00 179.25 181.20 1ji3 h GLU 250 N 0.59 0.74 -0.94 0.00 4.81 -1.09 -1.33 114.58 117.36 1ji3 h GLU 250 Ca 0.11 -0.27 0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1ji3 h GLU 250 Cb 0.50 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.77 1ji3 h GLU 250 CO 0.03 0.87 0.62 0.87 -0.73 0.00 0.00 179.01 180.66 1ji3 h LYS 251 N 0.55 1.12 -0.67 1.92 1.57 -1.02 -0.64 116.57 119.41 1ji3 h LYS 251 Ca 0.10 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1ji3 h LYS 251 Cb 0.58 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 1ji3 h LYS 251 CO 0.03 0.74 0.18 1.25 -0.57 0.00 0.00 179.45 181.09 1ji3 h LEU 252 N 1.16 0.98 -1.08 2.94 6.46 -1.10 -2.71 115.31 121.96 1ji3 h LEU 252 Ca 0.39 -0.19 -0.08 0.00 -0.12 0.00 0.00 57.88 57.88 1ji3 h LEU 252 Cb 0.07 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.72 1ji3 h LEU 252 CO -0.13 0.94 -0.19 0.78 -0.62 0.00 0.00 178.44 179.22 1ji3 h ASN 253 N 1.00 0.42 -0.46 1.25 2.35 -0.25 1.00 115.58 120.90 1ji3 h ASN 253 Ca 0.22 -0.12 0.06 0.00 -0.55 0.00 0.00 56.30 55.90 1ji3 h ASN 253 Cb 0.32 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 1ji3 h ASN 253 CO -0.00 0.62 0.31 1.56 -1.65 0.00 0.00 177.43 178.27 1ji3 h GLN 254 N 0.39 0.38 0.00 0.81 4.20 -0.82 -3.24 115.11 116.84 1ji3 h GLN 254 Ca 0.07 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1ji3 h GLN 254 Cb 0.55 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1ji3 h GLN 254 CO 0.04 0.25 -0.82 -2.67 -0.67 0.00 0.00 178.83 174.96 1ji3 n TRP 255 N -4.48 0.00 -3.43 2.96 4.27 -0.89 -4.94 117.44 110.95 1ji3 n TRP 255 Ca 0.06 0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 53.23 1ji3 n TRP 255 Cb 0.24 -0.08 -0.08 0.00 -1.36 0.00 0.00 31.31 30.03 1ji3 n TRP 255 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 1ji3 s VAL 256 N -2.17 4.97 0.32 -1.67 1.01 0.29 -5.05 120.40 118.10 1ji3 s VAL 256 Ca 0.01 -1.26 0.10 0.00 0.00 0.00 0.00 61.98 60.82 1ji3 s VAL 256 Cb 0.07 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1ji3 s VAL 256 CO 0.38 -0.63 -0.06 -1.10 0.00 0.00 0.00 175.10 173.68 1ji3 s GLN 257 N 1.57 1.95 0.34 2.72 -0.21 -1.26 -4.69 119.66 120.08 1ji3 s GLN 257 Ca 0.04 -1.76 -0.28 0.00 0.02 0.00 0.00 55.36 53.38 1ji3 s GLN 257 Cb -0.25 -1.86 -0.09 0.00 1.00 0.00 0.00 33.01 31.80 1ji3 s GLN 257 CO 0.05 0.21 1.18 0.00 -2.12 0.00 0.00 175.29 174.60 1ji3 s ALA 258 N -2.52 3.34 0.02 6.09 0.00 -1.26 -4.74 121.76 122.69 1ji3 s ALA 258 Ca 0.33 1.01 -0.17 0.00 0.00 0.00 0.00 51.96 53.13 1ji3 s ALA 258 Cb -0.01 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.66 1ji3 s ALA 258 CO 0.18 -0.41 0.48 0.45 0.00 0.00 0.00 175.76 176.46 1ji3 s SER 259 N -0.88 6.91 0.44 0.00 0.15 -1.26 -4.93 113.70 114.13 1ji3 s SER 259 Ca 0.50 1.09 0.30 0.00 0.70 0.00 0.00 55.95 58.54 1ji3 s SER 259 Cb -0.33 -2.30 1.58 0.00 -1.71 0.00 0.00 66.02 63.26 1ji3 s SER 259 CO 0.43 0.28 1.92 -0.65 1.20 0.00 0.00 173.24 176.42 1ji3 h PRO 260 N 4.76 0.00 -0.11 5.44 0.11 -1.94 -2.40 132.00 137.86 1ji3 h PRO 260 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ji3 h PRO 260 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ji3 h PRO 260 CO 0.63 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.51 1ji3 n ASN 261 N -2.57 1.47 -3.90 -2.05 3.02 -1.26 -4.17 115.26 105.79 1ji3 n ASN 261 Ca -0.01 -1.61 -0.14 0.00 -0.03 0.00 0.00 54.58 52.78 1ji3 n ASN 261 Cb 0.08 -0.07 -0.15 0.00 -0.61 0.00 0.00 39.78 39.04 1ji3 n ASN 261 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ji3 s THR 262 N -1.87 0.20 -0.01 3.41 2.01 -0.90 -4.76 115.64 113.72 1ji3 s THR 262 Ca 0.34 -0.08 -0.22 0.00 0.31 0.00 0.00 61.69 62.04 1ji3 s THR 262 Cb 0.18 -0.19 -0.05 0.00 0.01 0.00 0.00 72.50 72.45 1ji3 s THR 262 CO 0.28 0.07 0.65 -0.31 -0.69 0.00 0.00 174.62 174.63 1ji3 s TYR 263 N 0.11 3.67 -0.14 4.92 2.02 -0.26 -1.19 117.35 126.47 1ji3 s TYR 263 Ca -0.01 1.26 -0.02 0.00 -0.37 0.00 0.00 57.07 57.94 1ji3 s TYR 263 Cb -0.03 -2.70 -0.02 0.00 -0.40 0.00 0.00 41.96 38.82 1ji3 s TYR 263 CO -0.00 0.27 -0.09 0.71 -1.57 0.00 0.00 175.55 174.86 1ji3 s TYR 264 N 0.08 2.89 -0.01 2.71 1.51 -1.20 -0.19 117.35 123.14 1ji3 s TYR 264 Ca 0.34 -0.56 0.07 0.00 -1.01 0.00 0.00 57.07 55.91 1ji3 s TYR 264 Cb -0.18 -1.90 -0.02 0.00 -0.11 0.00 0.00 41.96 39.75 1ji3 s TYR 264 CO 0.18 -0.18 -0.23 -0.51 -1.11 0.00 0.00 175.55 173.70 1ji3 s LEU 265 N 0.44 2.06 -0.03 -1.29 1.02 0.03 -0.75 118.68 120.16 1ji3 s LEU 265 Ca -0.07 -0.43 0.03 0.00 0.02 0.00 0.00 54.13 53.67 1ji3 s LEU 265 Cb -0.15 -1.20 0.00 0.00 0.02 0.00 0.00 46.19 44.86 1ji3 s LEU 265 CO 0.04 0.28 -0.11 -0.94 0.02 0.00 0.00 176.35 175.64 1ji3 s SER 266 N -0.61 1.49 -0.09 2.29 1.04 -0.61 -0.07 113.70 117.14 1ji3 s SER 266 Ca 0.09 -0.24 0.03 0.00 0.48 0.00 0.00 55.95 56.31 1ji3 s SER 266 Cb -0.09 -0.40 -0.01 0.00 0.10 0.00 0.00 66.02 65.61 1ji3 s SER 266 CO -0.01 0.09 -0.18 -0.36 0.98 0.00 0.00 173.24 173.76 1ji3 s PHE 267 N 0.15 2.66 0.10 5.02 0.40 0.42 0.38 117.98 127.12 1ji3 s PHE 267 Ca -0.03 -0.61 0.06 0.00 -0.60 0.00 0.00 56.93 55.75 1ji3 s PHE 267 Cb -0.09 -1.71 -0.04 0.00 0.51 0.00 0.00 43.02 41.68 1ji3 s PHE 267 CO 0.01 -0.15 -0.05 -1.12 0.70 0.00 0.00 175.22 174.60 1ji3 s SER 268 N -0.03 4.67 0.13 1.36 0.01 -0.51 -1.77 113.70 117.56 1ji3 s SER 268 Ca -0.05 -0.30 0.05 0.00 1.31 0.00 0.00 55.95 56.96 1ji3 s SER 268 Cb -0.14 -0.99 -0.04 0.00 0.21 0.00 0.00 66.02 65.05 1ji3 s SER 268 CO 0.04 0.17 -0.12 0.42 0.41 0.00 0.00 173.24 174.16 1ji3 s THR 269 N -1.28 1.26 -0.05 1.44 -4.23 -1.26 -0.75 115.64 110.76 1ji3 s THR 269 Ca 0.24 -1.82 -0.21 0.00 -1.18 0.00 0.00 61.69 58.72 1ji3 s THR 269 Cb -0.11 -1.61 0.04 0.00 1.34 0.00 0.00 72.50 72.16 1ji3 s THR 269 CO 0.16 -0.53 0.47 -1.83 -0.54 0.00 0.00 174.62 172.35 1ji3 s GLU 270 N -3.00 0.80 -0.32 3.99 4.04 -0.66 -4.21 118.70 119.34 1ji3 s GLU 270 Ca 0.11 0.09 0.16 0.00 0.04 0.00 0.00 54.97 55.37 1ji3 s GLU 270 Cb -0.03 0.37 0.44 0.00 0.02 0.00 0.00 34.13 34.94 1ji3 s GLU 270 CO 0.02 -0.22 1.36 -2.13 -1.84 0.00 0.00 175.26 172.45 1ji3 n ARG 271 N 1.35 1.45 -4.31 -4.83 3.00 -0.25 -1.78 116.66 111.29 1ji3 n ARG 271 Ca -0.20 -2.12 -0.16 0.00 -0.00 0.00 0.00 57.85 55.37 1ji3 n ARG 271 Cb 0.56 -0.36 -0.10 0.00 0.00 0.00 0.00 32.46 32.56 1ji3 n ARG 271 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1ji3 s THR 272 N -1.30 0.92 0.17 5.15 -4.23 -1.25 -1.11 115.64 113.99 1ji3 s THR 272 Ca 0.17 -2.02 0.08 0.00 -1.18 0.00 0.00 61.69 58.74 1ji3 s THR 272 Cb 0.40 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.88 1ji3 s THR 272 CO -0.09 -0.32 -0.17 -0.72 -0.54 0.00 0.00 174.62 172.78 1ji3 s TYR 273 N -3.50 1.77 -0.12 3.99 -0.85 0.10 -4.79 117.35 113.97 1ji3 s TYR 273 Ca 0.28 -0.49 -0.24 0.00 -0.52 0.00 0.00 57.07 56.10 1ji3 s TYR 273 Cb 0.06 -0.87 -0.03 0.00 0.38 0.00 0.00 41.96 41.50 1ji3 s TYR 273 CO 0.08 0.33 0.74 0.50 -1.52 0.00 0.00 175.55 175.68 1ji3 s ARG 274 N -2.95 4.36 0.98 -3.49 3.52 -1.26 -0.28 118.95 119.83 1ji3 s ARG 274 Ca 0.17 0.90 -0.12 0.00 -0.13 0.00 0.00 55.73 56.54 1ji3 s ARG 274 Cb -0.05 -3.51 0.18 0.00 -1.56 0.00 0.00 34.95 30.01 1ji3 s ARG 274 CO 0.06 -0.10 1.08 0.20 -0.81 0.00 0.00 175.30 175.74 1ji3 s GLY 275 N 0.97 1.59 -0.06 8.12 0.00 -0.08 -4.97 107.32 112.90 1ji3 s GLY 275 Ca 0.37 -0.11 -0.30 0.00 0.00 0.00 0.00 44.72 44.68 1ji3 s GLY 275 CO 0.16 0.45 1.07 0.00 0.00 0.00 0.00 173.10 174.77 1ji3 s ALA 276 N -2.83 3.39 -1.40 3.20 0.00 -1.26 -3.57 121.76 119.29 1ji3 s ALA 276 Ca 0.65 0.50 -0.08 0.00 0.00 0.00 0.00 51.96 53.03 1ji3 s ALA 276 Cb -0.20 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.53 1ji3 s ALA 276 CO 0.59 -0.57 0.58 1.28 0.00 0.00 0.00 175.76 177.63 1ji3 n LEU 277 N 4.80 -2.03 -4.02 0.00 4.77 -1.26 -4.96 117.00 114.30 1ji3 n LEU 277 Ca 0.09 -0.39 -0.09 0.00 -0.03 0.00 0.00 56.01 55.59 1ji3 n LEU 277 Cb 0.48 -2.45 -0.09 0.00 -2.33 0.00 0.00 43.42 39.03 1ji3 n LEU 277 CO 0.53 0.21 -0.21 0.42 -1.33 0.00 0.00 177.39 177.01 1ji3 s THR 278 N -3.05 0.14 -1.20 -5.08 -4.23 -1.23 -5.01 115.64 95.98 1ji3 s THR 278 Ca 0.39 -1.60 0.26 0.00 -1.18 0.00 0.00 61.69 59.56 1ji3 s THR 278 Cb -0.20 -1.67 0.12 0.00 1.34 0.00 0.00 72.50 72.09 1ji3 s THR 278 CO 0.49 -0.64 1.55 0.61 -0.54 0.00 0.00 174.62 176.08 1ji3 n GLY 279 N -0.05 -1.14 3.72 3.99 0.00 -1.26 -4.42 105.19 106.04 1ji3 n GLY 279 Ca -0.11 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 1ji3 n GLY 279 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ji3 s ASN 280 N -2.86 4.28 -0.01 1.61 0.01 -1.26 -4.77 114.94 111.95 1ji3 s ASN 280 Ca 0.15 2.54 0.03 0.00 -0.71 0.00 0.00 52.86 54.88 1ji3 s ASN 280 Cb 0.18 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 39.20 1ji3 s ASN 280 CO 0.62 -2.22 -0.08 -1.00 -1.51 0.00 0.00 177.10 172.92 1ji3 s HIS 281 N -1.63 2.86 0.07 2.20 3.76 0.33 -0.90 115.29 121.97 1ji3 s HIS 281 Ca 0.80 -0.05 0.05 0.00 -0.15 0.00 0.00 55.06 55.71 1ji3 s HIS 281 Cb -0.35 -1.61 -0.03 0.00 1.11 0.00 0.00 32.58 31.70 1ji3 s HIS 281 CO 0.43 0.35 -0.15 0.71 -0.85 0.00 0.00 174.74 175.23 1ji3 s TYR 282 N -0.95 1.27 0.18 1.40 1.51 0.62 -4.27 117.35 117.10 1ji3 s TYR 282 Ca 0.16 -0.45 -0.31 0.00 -1.01 0.00 0.00 57.07 55.46 1ji3 s TYR 282 Cb -0.11 -0.71 -0.09 0.00 -0.11 0.00 0.00 41.96 40.93 1ji3 s TYR 282 CO 0.06 0.07 1.43 -1.25 -1.11 0.00 0.00 175.55 174.75 1ji3 s PRO 283 N -1.70 4.29 0.65 -1.71 0.04 -1.26 0.03 135.00 135.35 1ji3 s PRO 283 Ca -0.01 2.20 -0.16 0.00 0.04 0.00 0.00 61.00 63.07 1ji3 s PRO 283 Cb -0.10 -3.18 -0.00 0.00 0.04 0.00 0.00 34.50 31.26 1ji3 s PRO 283 CO 0.02 -0.44 1.14 -1.21 0.04 0.00 0.00 177.00 176.56 1ji3 s GLU 284 N 0.49 2.75 0.19 4.56 2.02 -0.27 -4.78 118.70 123.66 1ji3 s GLU 284 Ca 0.63 1.53 -0.33 0.00 0.02 0.00 0.00 54.97 56.82 1ji3 s GLU 284 Cb -0.40 -1.93 -0.14 0.00 0.10 0.00 0.00 34.13 31.76 1ji3 s GLU 284 CO 0.35 -1.31 1.38 -0.11 0.02 0.00 0.00 175.26 175.59 1ji3 n LEU 285 N -2.27 2.54 0.00 1.80 0.00 -1.26 -2.21 117.00 115.60 1ji3 n LEU 285 Ca 0.11 1.13 0.00 0.00 0.00 0.00 0.00 56.01 57.25 1ji3 n LEU 285 Cb 0.51 -1.35 0.00 0.00 0.00 0.00 0.00 43.42 42.59 1ji3 n LEU 285 CO 0.47 -0.70 0.00 0.61 0.00 0.00 0.00 177.39 177.76 1ji3 n GLY 286 N 2.46 2.70 3.73 -3.96 0.00 -1.26 -5.05 105.19 103.81 1ji3 n GLY 286 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1ji3 n GLY 286 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ji3 n MET 287 N -2.00 2.24 -1.55 1.61 0.00 -0.94 -4.84 117.12 111.64 1ji3 n MET 287 Ca 0.00 0.79 -0.48 0.00 0.00 0.00 0.00 57.70 58.01 1ji3 n MET 287 Cb 0.00 -2.50 -0.03 0.00 0.00 0.00 0.00 33.22 30.69 1ji3 n MET 287 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1ji3 n ASN 288 N 0.30 0.87 -0.20 6.12 0.23 -1.26 -4.69 115.26 116.64 1ji3 n ASN 288 Ca 0.04 1.15 -0.06 0.00 -0.53 0.00 0.00 54.58 55.19 1ji3 n ASN 288 Cb 0.39 -1.19 0.04 0.00 -2.08 0.00 0.00 39.78 36.94 1ji3 n ASN 288 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ji3 h ALA 289 N 2.51 0.74 0.16 -2.53 0.00 -1.99 -0.80 119.26 117.36 1ji3 h ALA 289 Ca -0.40 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.49 1ji3 h ALA 289 Cb 1.36 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1ji3 h ALA 289 CO 0.64 0.14 -0.28 0.35 0.00 0.00 0.00 179.25 180.11 1ji3 h PHE 290 N 0.76 -0.74 -0.70 0.00 3.04 -2.00 -1.57 116.94 115.72 1ji3 h PHE 290 Ca 0.22 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.12 1ji3 h PHE 290 Cb -0.05 0.31 -0.03 0.00 2.56 0.00 0.00 35.95 38.73 1ji3 h PHE 290 CO -0.04 -0.39 0.20 0.66 -2.02 0.00 0.00 178.31 176.72 1ji3 h SER 291 N -0.52 1.02 -0.67 0.41 4.64 -1.85 -0.22 113.55 116.36 1ji3 h SER 291 Ca 0.02 -0.19 0.02 0.00 -0.47 0.00 0.00 61.79 61.16 1ji3 h SER 291 Cb 0.52 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 1ji3 h SER 291 CO -0.13 0.96 0.44 0.00 -0.87 0.00 0.00 176.83 177.23 1ji3 h ALA 292 N 1.17 1.56 0.15 5.18 0.00 -0.75 0.10 119.26 126.67 1ji3 h ALA 292 Ca 0.22 -0.04 -0.35 0.00 0.00 0.00 0.00 54.91 54.75 1ji3 h ALA 292 Cb 0.32 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ji3 h ALA 292 CO -0.00 0.39 -1.79 0.28 0.00 0.00 0.00 179.25 178.12 1ji3 h VAL 293 N 0.86 0.87 0.01 0.00 2.07 -0.94 -3.41 116.25 115.71 1ji3 h VAL 293 Ca 0.25 -2.52 -0.40 0.00 0.82 0.00 0.00 66.70 64.86 1ji3 h VAL 293 Cb -0.03 2.67 -0.06 0.00 -1.52 0.00 0.00 31.29 32.34 1ji3 h VAL 293 CO -0.06 0.85 -2.42 0.52 0.02 0.00 0.00 177.57 176.47 1ji3 n VAL 294 N -3.51 1.53 -0.08 2.57 0.31 -0.13 -4.80 118.33 114.22 1ji3 n VAL 294 Ca -0.25 -0.54 -0.15 0.00 -0.01 0.00 0.00 64.34 63.39 1ji3 n VAL 294 Cb 1.06 -1.53 -0.07 0.00 -0.91 0.00 0.00 33.84 32.39 1ji3 n VAL 294 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ji3 h ALA 296 N -0.29 1.06 -0.71 0.00 0.00 -0.97 -1.64 119.26 116.70 1ji3 h ALA 296 Ca -0.40 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1ji3 h ALA 296 Cb 1.49 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1ji3 h ALA 296 CO -0.16 0.04 0.29 -1.35 0.00 0.00 0.00 179.25 178.07 1ji3 h PRO 297 N 0.71 1.05 0.04 0.00 0.11 -1.81 0.58 132.00 132.68 1ji3 h PRO 297 Ca 0.36 -0.19 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1ji3 h PRO 297 Cb 0.33 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1ji3 h PRO 297 CO -0.24 0.87 -0.02 0.35 -0.21 0.00 0.00 178.00 178.75 1ji3 h PHE 298 N 1.01 -0.05 -0.93 0.65 3.04 -1.75 -2.69 116.94 116.22 1ji3 h PHE 298 Ca 0.24 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.27 1ji3 h PHE 298 Cb 0.20 0.02 -0.07 0.00 2.56 0.00 0.00 35.95 38.66 1ji3 h PHE 298 CO 0.01 0.13 0.60 -0.07 -2.02 0.00 0.00 178.31 176.97 1ji3 h LEU 299 N -0.22 0.89 -0.10 0.59 3.38 -1.12 0.11 115.31 118.85 1ji3 h LEU 299 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ji3 h LEU 299 Cb 0.20 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1ji3 h LEU 299 CO 0.01 0.54 -0.00 0.61 0.09 0.00 0.00 178.44 179.69 1ji3 n GLY 300 N -1.39 -0.90 0.00 0.83 0.00 0.18 -4.13 105.19 99.78 1ji3 n GLY 300 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1ji3 n GLY 300 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ji3 n SER 301 N -0.88 2.83 -4.70 1.61 3.41 -0.30 -0.52 113.62 115.07 1ji3 n SER 301 Ca 0.23 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.42 1ji3 n SER 301 Cb 0.14 0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 1ji3 n SER 301 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1ji3 s TYR 302 N -1.34 2.66 0.13 7.33 5.04 0.24 -5.00 117.35 126.41 1ji3 s TYR 302 Ca 0.00 0.36 0.07 0.00 -2.44 0.00 0.00 57.07 55.06 1ji3 s TYR 302 Cb 0.00 -4.02 -0.04 0.00 0.35 0.00 0.00 41.96 38.25 1ji3 s TYR 302 CO 0.00 -3.98 -0.17 1.03 -1.34 0.00 0.00 175.55 171.09 1ji3 s ARG 303 N 1.93 1.13 -0.46 4.97 0.52 -1.26 -4.90 118.95 120.87 1ji3 s ARG 303 Ca 0.74 -1.27 0.06 0.00 -0.52 0.00 0.00 55.73 54.74 1ji3 s ARG 303 Cb -0.44 -1.18 0.18 0.00 0.52 0.00 0.00 34.95 34.03 1ji3 s ARG 303 CO 0.33 0.25 0.58 1.21 0.02 0.00 0.00 175.30 177.68 1ji3 s ASN 304 N -2.37 -0.41 0.34 0.23 3.84 -0.28 -5.02 114.94 111.28 1ji3 s ASN 304 Ca 0.10 -1.99 0.06 0.00 0.21 0.00 0.00 52.86 51.24 1ji3 s ASN 304 Cb -0.07 1.14 0.73 0.00 -0.55 0.00 0.00 41.25 42.50 1ji3 s ASN 304 CO 0.05 -0.12 1.89 -0.65 -2.79 0.00 0.00 177.10 175.48 1ji3 h PRO 305 N 5.58 0.77 -0.95 0.43 0.11 -1.94 0.17 132.00 136.16 1ji3 h PRO 305 Ca 0.11 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.20 1ji3 h PRO 305 Cb 1.06 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 31.94 1ji3 h PRO 305 CO 0.13 0.51 0.63 1.15 -0.21 0.00 0.00 178.00 180.21 1ji3 h THR 306 N 0.79 1.20 -0.55 -1.15 2.02 -1.95 -1.60 112.91 111.67 1ji3 h THR 306 Ca 0.42 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1ji3 h THR 306 Cb 0.52 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1ji3 h THR 306 CO -0.18 0.23 0.00 0.18 0.37 0.00 0.00 175.52 176.11 1ji3 n LEU 307 N -4.42 3.26 0.00 2.58 4.77 0.52 -4.92 117.00 118.80 1ji3 n LEU 307 Ca 0.12 -1.63 0.00 0.00 -0.03 0.00 0.00 56.01 54.47 1ji3 n LEU 307 Cb 0.06 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1ji3 n LEU 307 CO 0.36 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.75 1ji3 n GLY 308 N 1.27 0.52 3.45 -0.72 0.00 -0.60 -4.96 105.19 104.14 1ji3 n GLY 308 Ca 0.19 -0.35 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 1ji3 n GLY 308 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ji3 s ILE 309 N -2.00 4.86 0.00 -0.61 1.01 -0.69 -4.94 121.20 118.83 1ji3 s ILE 309 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 60.65 58.71 1ji3 s ILE 309 Cb 0.00 -4.80 0.00 0.00 0.01 0.00 0.00 42.46 37.67 1ji3 s ILE 309 CO 0.00 -1.52 0.00 -0.90 0.00 0.00 0.00 174.94 172.52 1ji3 n ASP 310 N 6.15 1.37 -0.30 3.58 5.68 -1.26 -1.13 116.55 130.64 1ji3 n ASP 310 Ca 0.27 -0.31 0.27 0.00 -0.50 0.00 0.00 54.79 54.52 1ji3 n ASP 310 Cb 0.47 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.06 1ji3 n ASP 310 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1ji3 h SER 311 N 0.00 0.25 0.82 -1.12 0.02 -1.97 -0.38 113.55 111.17 1ji3 h SER 311 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1ji3 h SER 311 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ji3 h SER 311 CO 0.00 0.05 0.00 1.41 -1.14 0.00 0.00 176.83 177.15 1ji3 n HIS 312 N -4.44 0.00 1.00 3.45 8.25 -1.26 -2.86 115.22 119.36 1ji3 n HIS 312 Ca 0.24 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.82 1ji3 n HIS 312 Cb 0.99 -0.45 0.26 0.00 1.12 0.00 0.00 29.99 31.91 1ji3 n HIS 312 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1ji3 n TRP 313 N -1.45 0.00 0.08 4.41 7.02 -0.15 -4.36 117.44 122.98 1ji3 n TRP 313 Ca 0.08 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.52 1ji3 n TRP 313 Cb 0.29 -0.25 -0.07 0.00 -2.42 0.00 0.00 31.31 28.85 1ji3 n TRP 313 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1ji3 h LEU 314 N 0.00 0.00 -9.89 -0.99 3.38 -1.65 -3.43 115.31 102.74 1ji3 h LEU 314 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1ji3 h LEU 314 Cb 0.50 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.34 1ji3 h LEU 314 CO 0.00 0.81 0.75 -0.70 0.09 0.00 0.00 178.44 179.39 1ji3 s GLU 315 N -2.80 4.19 0.29 1.13 2.12 -1.26 -3.97 118.70 118.40 1ji3 s GLU 315 Ca 0.01 2.46 -0.13 0.00 0.36 0.00 0.00 54.97 57.67 1ji3 s GLU 315 Cb 0.09 -3.01 0.01 0.00 0.26 0.00 0.00 34.13 31.47 1ji3 s GLU 315 CO 0.80 -0.45 0.55 0.54 -0.54 0.00 0.00 175.26 176.16 1ji3 s ASN 316 N -0.11 0.05 -0.14 -1.70 2.20 -1.26 -1.63 114.94 112.36 1ji3 s ASN 316 Ca 0.54 -1.00 0.15 0.00 -0.94 0.00 0.00 52.86 51.61 1ji3 s ASN 316 Cb -0.44 0.65 0.52 0.00 -2.00 0.00 0.00 41.25 39.98 1ji3 s ASN 316 CO 0.57 -1.27 1.43 -0.90 -2.94 0.00 0.00 177.10 173.99 1ji3 n ASP 317 N -0.69 3.88 0.00 3.54 5.75 -0.94 -1.09 116.55 127.00 1ji3 n ASP 317 Ca -0.02 -2.73 0.00 0.00 -0.01 0.00 0.00 54.79 52.03 1ji3 n ASP 317 Cb 0.61 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1ji3 n ASP 317 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ji3 n GLY 318 N -0.05 2.80 0.41 6.12 0.00 -1.26 -1.63 105.19 111.57 1ji3 n GLY 318 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1ji3 n GLY 318 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ji3 n ILE 319 N -2.00 0.00 -5.11 -0.61 2.08 -1.26 -4.10 119.36 108.36 1ji3 n ILE 319 Ca 0.00 0.00 -0.31 0.00 0.56 0.00 0.00 62.75 63.00 1ji3 n ILE 319 Cb 0.00 -0.29 -0.15 0.00 -0.75 0.00 0.00 39.64 38.45 1ji3 n ILE 319 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1ji3 s VAL 320 N -1.44 2.15 0.18 1.39 1.01 -1.26 -4.60 120.40 117.82 1ji3 s VAL 320 Ca 0.00 -1.21 -0.31 0.00 0.00 0.00 0.00 61.98 60.47 1ji3 s VAL 320 Cb 0.00 -1.79 -0.09 0.00 0.00 0.00 0.00 36.38 34.50 1ji3 s VAL 320 CO 0.00 0.49 1.39 0.20 0.00 0.00 0.00 175.10 177.18 1ji3 s ASN 321 N -0.89 6.79 0.24 3.32 -0.87 -1.26 -2.21 114.94 120.04 1ji3 s ASN 321 Ca 0.11 2.47 -0.06 0.00 -1.57 0.00 0.00 52.86 53.80 1ji3 s ASN 321 Cb -0.10 -2.61 0.23 0.00 -0.02 0.00 0.00 41.25 38.75 1ji3 s ASN 321 CO 0.00 -0.63 1.85 0.74 -2.57 0.00 0.00 177.10 176.50 1ji3 h THR 322 N 3.86 1.26 -0.19 1.60 2.02 -1.54 -1.42 112.91 118.50 1ji3 h THR 322 Ca -0.44 -0.66 0.05 0.00 0.77 0.00 0.00 66.41 66.14 1ji3 h THR 322 Cb 1.21 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1ji3 h THR 322 CO 0.81 0.29 0.22 -0.29 0.37 0.00 0.00 175.52 176.93 1ji3 h ILE 323 N 1.24 0.42 0.00 3.11 2.10 -1.80 -1.57 117.51 121.00 1ji3 h ILE 323 Ca 0.31 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.25 1ji3 h ILE 323 Cb 0.05 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 36.60 1ji3 h ILE 323 CO -0.05 0.00 0.00 -0.24 -1.08 0.00 0.00 178.15 176.78 1ji3 n SER 324 N -3.73 0.19 0.05 2.19 2.88 -0.53 -4.06 113.62 110.61 1ji3 n SER 324 Ca 0.02 0.53 0.11 0.00 -1.33 0.00 0.00 58.87 58.20 1ji3 n SER 324 Cb 0.35 -0.58 -0.04 0.00 -0.75 0.00 0.00 64.21 63.19 1ji3 n SER 324 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1ji3 n MET 325 N -1.69 0.55 0.09 -1.46 2.81 -0.59 -1.87 117.12 114.96 1ji3 n MET 325 Ca 0.05 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.07 1ji3 n MET 325 Cb 0.29 -1.69 0.45 0.00 -0.71 0.00 0.00 33.22 31.57 1ji3 n MET 325 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1ji3 n ASN 326 N -2.40 0.59 0.00 7.83 6.94 -1.26 -4.62 115.26 122.34 1ji3 n ASN 326 Ca -0.01 0.59 0.00 0.00 -0.02 0.00 0.00 54.58 55.15 1ji3 n ASN 326 Cb 0.53 -0.74 0.00 0.00 -2.36 0.00 0.00 39.78 37.21 1ji3 n ASN 326 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ji3 n GLY 327 N 0.72 2.68 3.74 4.83 0.00 -1.26 -4.74 105.19 111.17 1ji3 n GLY 327 Ca 0.04 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 1ji3 n GLY 327 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ji3 s PRO 328 N -2.07 4.49 0.00 1.61 0.04 -1.26 -4.66 135.00 133.14 1ji3 s PRO 328 Ca 0.00 1.93 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1ji3 s PRO 328 Cb 0.00 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1ji3 s PRO 328 CO 0.00 -0.07 0.00 1.63 0.04 0.00 0.00 177.00 178.60 1ji3 n LYS 329 N 2.09 0.00 -2.44 4.56 5.02 -1.26 -4.59 118.16 121.55 1ji3 n LYS 329 Ca 0.03 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.89 1ji3 n LYS 329 Cb 0.44 -0.38 -0.02 0.00 -0.02 0.00 0.00 35.03 35.05 1ji3 n LYS 329 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1ji3 s ARG 330 N -1.83 4.19 -0.23 1.97 0.52 -1.26 -2.64 118.95 119.67 1ji3 s ARG 330 Ca 0.00 1.58 0.00 0.00 -0.52 0.00 0.00 55.73 56.79 1ji3 s ARG 330 Cb 0.00 -3.77 0.00 0.00 0.52 0.00 0.00 34.95 31.70 1ji3 s ARG 330 CO 0.00 -0.76 0.00 0.41 0.02 0.00 0.00 175.30 174.97 1ji3 n GLY 331 N 3.70 0.55 3.34 -3.53 0.00 -1.26 -4.49 105.19 103.49 1ji3 n GLY 331 Ca 0.14 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 1ji3 n GLY 331 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ji3 s SER 332 N -2.40 2.79 -0.05 1.61 0.15 -1.08 -2.67 113.70 112.05 1ji3 s SER 332 Ca 0.00 -0.84 0.12 0.00 0.70 0.00 0.00 55.95 55.93 1ji3 s SER 332 Cb 0.00 -0.17 0.36 0.00 -1.71 0.00 0.00 66.02 64.50 1ji3 s SER 332 CO 0.00 0.00 1.29 0.59 1.20 0.00 0.00 173.24 176.33 1ji3 n ASN 333 N 0.40 3.16 -4.75 5.45 3.02 -1.26 -4.82 115.26 116.46 1ji3 n ASN 333 Ca -0.14 -2.28 -0.38 0.00 -0.03 0.00 0.00 54.58 51.75 1ji3 n ASN 333 Cb 0.56 -0.31 0.05 0.00 -0.61 0.00 0.00 39.78 39.47 1ji3 n ASN 333 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1ji3 s ASP 334 N -1.26 5.12 0.09 6.41 1.11 -1.26 -4.98 116.67 121.90 1ji3 s ASP 334 Ca 0.28 2.69 -0.15 0.00 0.18 0.00 0.00 52.55 55.55 1ji3 s ASP 334 Cb 0.18 -2.63 -0.06 0.00 1.07 0.00 0.00 42.92 41.48 1ji3 s ASP 334 CO 0.13 -1.66 0.50 -0.60 1.18 0.00 0.00 175.17 174.72 1ji3 s ARG 335 N -3.05 3.98 -0.12 8.23 3.52 -1.26 -4.96 118.95 125.29 1ji3 s ARG 335 Ca 0.75 0.48 0.02 0.00 -0.13 0.00 0.00 55.73 56.85 1ji3 s ARG 335 Cb -0.39 -3.07 0.01 0.00 -1.56 0.00 0.00 34.95 29.95 1ji3 s ARG 335 CO 0.44 0.57 -0.17 0.42 -0.81 0.00 0.00 175.30 175.76 1ji3 s ILE 336 N -1.29 1.66 0.03 4.11 1.01 -1.26 -0.44 121.20 125.02 1ji3 s ILE 336 Ca 0.32 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 60.28 1ji3 s ILE 336 Cb -0.16 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 1ji3 s ILE 336 CO 0.18 0.47 -0.15 0.68 0.00 0.00 0.00 174.94 176.12 1ji3 s VAL 337 N 0.99 1.15 0.35 2.92 -7.23 0.49 -4.94 120.40 114.13 1ji3 s VAL 337 Ca -0.06 -0.93 -0.29 0.00 -1.81 0.00 0.00 61.98 58.89 1ji3 s VAL 337 Cb -0.15 -1.03 -0.11 0.00 0.56 0.00 0.00 36.38 35.66 1ji3 s VAL 337 CO -0.03 0.08 1.53 -2.84 -0.31 0.00 0.00 175.10 173.54 1ji3 s PRO 338 N -0.98 4.11 0.26 4.82 0.02 -1.26 -1.19 135.00 140.77 1ji3 s PRO 338 Ca 0.03 2.58 -0.30 0.00 0.02 0.00 0.00 61.00 63.33 1ji3 s PRO 338 Cb -0.07 -2.99 -0.10 0.00 0.02 0.00 0.00 34.50 31.36 1ji3 s PRO 338 CO 0.01 -0.58 1.42 -0.47 -0.33 0.00 0.00 177.00 177.05 1ji3 s TYR 339 N -0.69 3.01 -0.00 6.54 5.04 -0.70 -4.78 117.35 125.78 1ji3 s TYR 339 Ca 0.57 1.08 0.00 0.00 -2.44 0.00 0.00 57.07 56.29 1ji3 s TYR 339 Cb -0.47 -3.81 0.01 0.00 0.35 0.00 0.00 41.96 38.04 1ji3 s TYR 339 CO 0.58 -2.56 0.85 -0.40 -1.34 0.00 0.00 175.55 172.67 1ji3 n ASP 340 N 2.09 1.37 0.00 4.32 5.68 -1.26 -4.96 116.55 123.79 1ji3 n ASP 340 Ca 0.06 -1.72 0.00 0.00 -0.50 0.00 0.00 54.79 52.63 1ji3 n ASP 340 Cb 0.40 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 1ji3 n ASP 340 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ji3 n GLY 341 N -0.36 1.70 2.93 6.12 0.00 -1.26 -5.06 105.19 109.26 1ji3 n GLY 341 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1ji3 n GLY 341 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ji3 s THR 342 N -2.14 1.07 0.25 2.61 -1.32 -1.26 -5.12 115.64 109.72 1ji3 s THR 342 Ca 0.00 -0.34 -0.30 0.00 -1.21 0.00 0.00 61.69 59.85 1ji3 s THR 342 Cb 0.00 -1.07 -0.09 0.00 -1.51 0.00 0.00 72.50 69.83 1ji3 s THR 342 CO 0.00 0.37 1.00 -0.76 -2.21 0.00 0.00 174.62 173.02 1ji3 s LEU 343 N 1.53 4.60 0.05 9.08 1.43 -1.26 -5.04 118.68 129.08 1ji3 s LEU 343 Ca 0.02 2.06 0.07 0.00 -1.03 0.00 0.00 54.13 55.26 1ji3 s LEU 343 Cb -0.13 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 1ji3 s LEU 343 CO -0.06 0.03 -0.19 -0.54 0.23 0.00 0.00 176.35 175.82 1ji3 s LYS 344 N -1.19 2.01 0.46 1.70 -0.14 -1.26 -5.03 119.74 116.29 1ji3 s LYS 344 Ca 0.43 -1.02 -0.20 0.00 -1.36 0.00 0.00 55.97 53.82 1ji3 s LYS 344 Cb -0.28 -2.16 -0.10 0.00 -1.68 0.00 0.00 37.83 33.61 1ji3 s LYS 344 CO 0.35 0.53 0.99 0.21 -0.76 0.00 0.00 175.35 176.67 1ji3 s LYS 345 N -1.53 4.01 0.00 1.68 2.20 -1.26 -4.06 119.74 120.78 1ji3 s LYS 345 Ca 0.15 1.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.98 1ji3 s LYS 345 Cb -0.10 -2.14 0.00 0.00 -1.51 0.00 0.00 37.83 34.08 1ji3 s LYS 345 CO 0.06 -0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 1ji3 n GLY 346 N -0.51 0.53 3.24 5.54 0.00 -0.34 -4.95 105.19 108.70 1ji3 n GLY 346 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 1ji3 n GLY 346 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ji3 s VAL 347 N -2.24 0.06 -0.31 1.61 -7.23 -1.26 -4.74 120.40 106.30 1ji3 s VAL 347 Ca 0.00 -1.77 -0.22 0.00 -1.81 0.00 0.00 61.98 58.17 1ji3 s VAL 347 Cb 0.00 -2.12 -0.00 0.00 0.56 0.00 0.00 36.38 34.81 1ji3 s VAL 347 CO 0.00 -0.27 0.74 0.26 -0.31 0.00 0.00 175.10 175.51 1ji3 s TRP 348 N -4.06 3.20 -0.70 2.82 0.52 0.41 -3.22 118.94 117.91 1ji3 s TRP 348 Ca 0.26 0.72 -0.22 0.00 0.02 0.00 0.00 56.10 56.88 1ji3 s TRP 348 Cb 0.06 -3.15 0.08 0.00 -1.15 0.00 0.00 33.47 29.30 1ji3 s TRP 348 CO 0.05 -0.55 1.00 -0.80 0.02 0.00 0.00 176.95 176.67 1ji3 s ASN 349 N 1.64 6.24 -0.57 2.95 0.01 0.07 -0.38 114.94 124.90 1ji3 s ASN 349 Ca 0.30 -1.12 -0.27 0.00 -0.71 0.00 0.00 52.86 51.05 1ji3 s ASN 349 Cb -0.14 -2.42 -0.01 0.00 0.41 0.00 0.00 41.25 39.09 1ji3 s ASN 349 CO 0.13 -1.40 1.67 -0.62 -1.51 0.00 0.00 177.10 175.36 1ji3 s ASP 350 N 3.71 5.69 0.00 -1.22 -1.08 -0.34 -1.58 116.67 121.85 1ji3 s ASP 350 Ca 0.24 0.39 0.07 0.00 -0.52 0.00 0.00 52.55 52.73 1ji3 s ASP 350 Cb -0.15 -2.54 0.23 0.00 -1.46 0.00 0.00 42.92 39.01 1ji3 s ASP 350 CO 0.07 -2.04 1.18 0.23 0.52 0.00 0.00 175.17 175.13 1ji3 n MET 351 N 8.94 1.36 0.00 4.34 2.81 0.16 -1.71 117.12 133.02 1ji3 n MET 351 Ca 0.17 -0.56 0.00 0.00 -1.81 0.00 0.00 57.70 55.50 1ji3 n MET 351 Cb 0.50 -1.15 0.00 0.00 -0.71 0.00 0.00 33.22 31.86 1ji3 n MET 351 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ji3 n GLY 352 N 0.77 -4.28 3.45 3.03 0.00 -1.26 -4.96 105.19 101.94 1ji3 n GLY 352 Ca 0.06 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 1ji3 n GLY 352 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ji3 s THR 353 N -0.96 3.53 -0.05 2.61 2.01 -1.26 -1.42 115.64 120.09 1ji3 s THR 353 Ca 0.00 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.53 1ji3 s THR 353 Cb 0.00 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 1ji3 s THR 353 CO 0.00 0.51 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.03 1ji3 s TYR 354 N 0.33 2.83 -1.30 4.92 1.51 0.07 -4.98 117.35 120.74 1ji3 s TYR 354 Ca -0.07 -0.06 -0.14 0.00 -1.01 0.00 0.00 57.07 55.79 1ji3 s TYR 354 Cb -0.15 -1.66 0.12 0.00 -0.11 0.00 0.00 41.96 40.16 1ji3 s TYR 354 CO 0.04 0.29 1.76 -1.71 -1.11 0.00 0.00 175.55 174.82 1ji3 n ASN 355 N 2.12 4.87 -3.67 2.29 4.05 -1.26 -1.65 115.26 122.01 1ji3 n ASN 355 Ca -0.17 -2.96 -0.14 0.00 0.45 0.00 0.00 54.58 51.75 1ji3 n ASN 355 Cb 0.53 -1.62 -0.08 0.00 1.23 0.00 0.00 39.78 39.83 1ji3 n ASN 355 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1ji3 s VAL 356 N 2.41 0.00 0.75 3.44 1.01 -0.73 -4.95 120.40 122.34 1ji3 s VAL 356 Ca 0.46 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.34 1ji3 s VAL 356 Cb 0.05 -0.81 0.10 0.00 0.00 0.00 0.00 36.38 35.71 1ji3 s VAL 356 CO 0.01 -0.02 1.06 1.51 0.00 0.00 0.00 175.10 177.67 1ji3 s ASP 357 N 0.07 4.43 0.28 3.32 1.47 -1.26 -3.46 116.67 121.51 1ji3 s ASP 357 Ca -0.02 0.26 0.02 0.00 1.18 0.00 0.00 52.55 53.99 1ji3 s ASP 357 Cb -0.04 -0.75 0.64 0.00 -0.34 0.00 0.00 42.92 42.43 1ji3 s ASP 357 CO 0.02 -1.85 1.75 -0.74 0.68 0.00 0.00 175.17 175.04 1ji3 h HIS 358 N -0.76 0.84 0.00 2.11 -0.00 -1.71 -1.64 115.15 113.99 1ji3 h HIS 358 Ca -0.43 0.04 -0.08 0.00 -0.00 0.00 0.00 60.37 59.90 1ji3 h HIS 358 Cb 1.29 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 28.45 1ji3 h HIS 358 CO -0.04 0.15 -1.48 1.28 -0.00 0.00 0.00 177.93 177.84 1ji3 n LEU 359 N -4.87 0.58 0.12 0.26 4.77 -1.26 -4.01 117.00 112.58 1ji3 n LEU 359 Ca 0.20 0.24 -0.01 0.00 -0.03 0.00 0.00 56.01 56.41 1ji3 n LEU 359 Cb 0.53 0.04 0.27 0.00 -2.33 0.00 0.00 43.42 41.92 1ji3 n LEU 359 CO 0.19 0.01 0.68 -0.33 -1.33 0.00 0.00 177.39 176.62 1ji3 h GLU 360 N 0.00 0.18 0.00 3.23 5.08 -1.49 -1.58 114.58 120.00 1ji3 h GLU 360 Ca -0.09 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1ji3 h GLU 360 Cb 1.28 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 1ji3 h GLU 360 CO 0.02 0.54 -0.05 0.97 -1.00 0.00 0.00 179.01 179.49 1ji3 h ILE 361 N 0.15 0.13 -0.25 3.13 6.09 -1.53 -1.67 117.51 123.57 1ji3 h ILE 361 Ca 0.02 -0.58 0.00 0.00 -1.37 0.00 0.00 64.86 62.92 1ji3 h ILE 361 Cb 0.75 1.51 0.00 0.00 0.47 0.00 0.00 36.82 39.55 1ji3 h ILE 361 CO 0.06 0.04 0.00 2.30 -3.07 0.00 0.00 178.15 177.48 1ji3 n ILE 362 N -3.17 0.38 -0.20 2.19 -5.35 -1.09 -4.97 119.36 107.15 1ji3 n ILE 362 Ca 0.00 -0.69 0.00 0.00 -0.27 0.00 0.00 62.75 61.79 1ji3 n ILE 362 Cb 0.31 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.27 1ji3 n ILE 362 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ji3 n GLY 363 N 1.16 1.03 0.16 3.28 0.00 -0.63 -0.76 105.19 109.43 1ji3 n GLY 363 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 1ji3 n GLY 363 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ji3 h VAL 364 N 0.00 1.40 -3.59 1.61 2.07 -1.49 0.24 116.25 116.49 1ji3 h VAL 364 Ca 0.00 -2.26 -0.68 0.00 0.82 0.00 0.00 66.70 64.58 1ji3 h VAL 364 Cb 0.00 2.21 -0.19 0.00 -1.52 0.00 0.00 31.29 31.79 1ji3 h VAL 364 CO 0.00 0.67 -0.68 -0.62 0.02 0.00 0.00 177.57 176.96 1ji3 s ASP 365 N -6.98 4.71 0.69 0.57 2.15 -1.11 -4.43 116.67 112.27 1ji3 s ASP 365 Ca -0.05 -0.02 -0.13 0.00 0.43 0.00 0.00 52.55 52.78 1ji3 s ASP 365 Cb 0.10 -1.26 0.02 0.00 -0.30 0.00 0.00 42.92 41.48 1ji3 s ASP 365 CO 0.84 0.35 1.10 -2.16 -0.17 0.00 0.00 175.17 175.12 1ji3 s PRO 366 N -0.70 2.65 -0.41 4.34 0.04 -1.26 -4.22 135.00 135.44 1ji3 s PRO 366 Ca 0.11 1.29 0.01 0.00 0.04 0.00 0.00 61.00 62.45 1ji3 s PRO 366 Cb -0.11 -1.94 0.19 0.00 0.04 0.00 0.00 34.50 32.68 1ji3 s PRO 366 CO 0.02 -1.35 0.83 1.21 0.04 0.00 0.00 177.00 177.74 1ji3 s ASN 367 N -2.90 -1.03 0.57 6.66 3.84 -1.26 -4.92 114.94 115.89 1ji3 s ASN 367 Ca 0.65 -0.82 0.29 0.00 0.21 0.00 0.00 52.86 53.18 1ji3 s ASN 367 Cb -0.19 1.33 1.69 0.00 -0.55 0.00 0.00 41.25 43.54 1ji3 s ASN 367 CO 0.47 -0.08 2.18 -0.65 -2.79 0.00 0.00 177.10 176.23 1ji3 h PRO 368 N 5.63 0.00 -0.01 0.43 0.11 -2.02 0.38 132.00 136.53 1ji3 h PRO 368 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1ji3 h PRO 368 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ji3 h PRO 368 CO 0.00 0.05 -0.06 -1.13 -0.21 0.00 0.00 178.00 176.65 1ji3 n SER 369 N -3.73 0.61 -4.54 -2.05 3.41 -1.26 -4.62 113.62 101.44 1ji3 n SER 369 Ca -0.02 -0.91 -0.41 0.00 -0.26 0.00 0.00 58.87 57.27 1ji3 n SER 369 Cb 0.15 -0.03 -0.09 0.00 -0.26 0.00 0.00 64.21 63.98 1ji3 n SER 369 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1ji3 s PHE 370 N -2.24 3.19 -1.15 7.33 5.36 0.13 -4.99 117.98 125.61 1ji3 s PHE 370 Ca 0.36 0.03 -0.16 0.00 -0.96 0.00 0.00 56.93 56.20 1ji3 s PHE 370 Cb 0.21 -2.81 0.14 0.00 -0.34 0.00 0.00 43.02 40.22 1ji3 s PHE 370 CO 0.42 -0.51 1.42 0.34 -1.46 0.00 0.00 175.22 175.43 1ji3 s ASP 371 N 1.75 6.89 0.23 6.13 -1.08 -1.26 -4.82 116.67 124.51 1ji3 s ASP 371 Ca 0.15 -2.59 -0.04 0.00 -0.52 0.00 0.00 52.55 49.55 1ji3 s ASP 371 Cb -0.16 -2.44 0.22 0.00 -1.46 0.00 0.00 42.92 39.08 1ji3 s ASP 371 CO 0.13 -0.94 1.67 -0.29 0.52 0.00 0.00 175.17 176.25 1ji3 h ILE 372 N 5.22 1.26 -0.76 4.11 2.10 -1.94 -1.52 117.51 125.99 1ji3 h ILE 372 Ca 0.30 -1.23 -0.03 0.00 1.08 0.00 0.00 64.86 64.97 1ji3 h ILE 372 Cb 0.92 1.09 -0.03 0.00 -1.09 0.00 0.00 36.82 37.70 1ji3 h ILE 372 CO 1.26 0.42 0.34 0.03 -1.08 0.00 0.00 178.15 179.12 1ji3 h ARG 373 N 0.71 1.10 -0.23 2.19 3.08 -1.98 -1.50 114.38 117.75 1ji3 h ARG 373 Ca 0.11 -0.17 -0.16 0.00 0.07 0.00 0.00 59.98 59.84 1ji3 h ARG 373 Cb 0.64 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1ji3 h ARG 373 CO 0.04 0.87 -0.49 0.00 -1.07 0.00 0.00 179.97 179.32 1ji3 h ALA 374 N 1.28 0.70 0.08 0.04 0.00 -1.79 -1.66 119.26 117.91 1ji3 h ALA 374 Ca 0.26 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1ji3 h ALA 374 Cb 0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1ji3 h ALA 374 CO -0.03 0.68 -0.18 0.35 0.00 0.00 0.00 179.25 180.07 1ji3 h PHE 375 N 0.50 -0.48 -0.30 0.00 3.57 -0.90 -0.64 116.94 118.69 1ji3 h PHE 375 Ca 0.02 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.37 1ji3 h PHE 375 Cb 1.04 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 1ji3 h PHE 375 CO 0.05 -0.27 -0.46 1.88 -2.23 0.00 0.00 178.31 177.28 1ji3 h TYR 376 N -0.34 0.95 -0.52 0.41 0.05 -1.20 -1.54 116.97 114.78 1ji3 h TYR 376 Ca 0.03 -0.31 -0.04 0.00 0.05 0.00 0.00 58.73 58.47 1ji3 h TYR 376 Cb 0.37 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 1ji3 h TYR 376 CO -0.19 1.09 0.18 -0.07 -1.05 0.00 0.00 178.16 178.12 1ji3 h LEU 377 N 0.62 0.75 -0.74 3.88 3.38 -1.20 0.91 115.31 122.92 1ji3 h LEU 377 Ca 0.04 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1ji3 h LEU 377 Cb 1.03 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 1ji3 h LEU 377 CO 0.10 0.74 0.24 -0.09 0.09 0.00 0.00 178.44 179.52 1ji3 h ARG 378 N 0.71 1.14 -0.56 1.13 2.43 -1.08 -1.34 114.38 116.81 1ji3 h ARG 378 Ca 0.17 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1ji3 h ARG 378 Cb 0.25 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1ji3 h ARG 378 CO -0.01 0.96 0.18 1.25 -1.51 0.00 0.00 179.97 180.85 1ji3 h LEU 379 N 1.09 0.80 -1.29 3.80 5.85 -0.87 -1.74 115.31 122.95 1ji3 h LEU 379 Ca 0.24 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1ji3 h LEU 379 Cb 0.29 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1ji3 h LEU 379 CO -0.01 0.79 0.35 0.00 -0.34 0.00 0.00 178.44 179.22 1ji3 h ALA 380 N 1.04 1.46 -0.37 1.25 0.00 -0.49 -1.26 119.26 120.89 1ji3 h ALA 380 Ca 0.18 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1ji3 h ALA 380 Cb 0.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1ji3 h ALA 380 CO -0.01 0.45 -0.17 1.49 0.00 0.00 0.00 179.25 181.01 1ji3 h GLU 381 N 0.85 0.78 -0.65 0.00 4.81 -0.93 -0.63 114.58 118.80 1ji3 h GLU 381 Ca 0.22 -0.34 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1ji3 h GLU 381 Cb 0.00 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1ji3 h GLU 381 CO -0.04 0.96 0.42 1.96 -0.73 0.00 0.00 179.01 181.58 1ji3 h GLN 382 N 0.57 0.85 -0.65 1.92 4.20 -0.75 -1.96 115.11 119.29 1ji3 h GLN 382 Ca 0.08 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1ji3 h GLN 382 Cb 0.72 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 1ji3 h GLN 382 CO 0.05 0.57 0.38 -0.07 -0.67 0.00 0.00 178.83 179.09 1ji3 h LEU 383 N 0.87 0.80 -1.94 1.46 3.38 -1.01 -1.06 115.31 117.81 1ji3 h LEU 383 Ca 0.24 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.19 1ji3 h LEU 383 Cb -0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1ji3 h LEU 383 CO -0.05 0.64 0.19 0.00 0.09 0.00 0.00 178.44 179.31 1ji3 h ALA 384 N 1.19 2.16 -0.00 1.53 0.00 -0.87 -1.66 119.26 121.62 1ji3 h ALA 384 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ji3 h ALA 384 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ji3 h ALA 384 CO -0.04 -0.23 -0.14 -1.13 0.00 0.00 0.00 179.25 177.70 1ji3 n SER 385 N -4.47 0.18 -4.75 0.00 3.41 -0.41 -1.02 113.62 106.56 1ji3 n SER 385 Ca 0.03 0.14 -0.41 0.00 -0.26 0.00 0.00 58.87 58.38 1ji3 n SER 385 Cb 0.30 -0.25 -0.02 0.00 -0.26 0.00 0.00 64.21 63.98 1ji3 n SER 385 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ji3 s LEU 386 N -2.91 4.41 0.06 1.04 1.43 -0.63 -4.44 118.68 117.64 1ji3 s LEU 386 Ca 0.16 2.63 -0.30 0.00 -1.03 0.00 0.00 54.13 55.58 1ji3 s LEU 386 Cb 0.19 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.72 1ji3 s LEU 386 CO 0.56 -0.59 1.10 -1.58 0.23 0.00 0.00 176.35 176.07 1ji3 s GLN 387 N -0.99 4.51 0.00 1.70 2.00 -1.26 -4.10 119.66 121.52 1ji3 s GLN 387 Ca 0.54 1.63 0.00 0.00 -2.00 0.00 0.00 55.36 55.53 1ji3 s GLN 387 Cb -0.40 -3.37 0.00 0.00 0.80 0.00 0.00 33.01 30.04 1ji3 s GLN 387 CO 0.47 -0.11 0.29 -2.30 -0.50 0.00 0.00 175.29 173.14