#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cm5 s GLU 2 N 0.00 4.00 -0.32 1.43 2.56 -1.26 -4.72 118.70 120.39 1cm5 s GLU 2 Ca 0.00 -2.15 -0.08 0.00 0.00 0.00 0.00 54.97 52.75 1cm5 s GLU 2 Cb 0.00 -5.38 0.19 0.00 2.00 0.00 0.00 34.13 30.93 1cm5 s GLU 2 CO 0.00 -2.10 0.98 -1.17 -0.56 0.00 0.00 175.26 172.41 1cm5 s LEU 3 N 3.43 -0.55 0.93 2.70 2.96 -1.26 -4.71 118.68 122.18 1cm5 s LEU 3 Ca 0.50 -0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 54.17 1cm5 s LEU 3 Cb 0.02 1.00 0.15 0.00 0.50 0.00 0.00 46.19 47.86 1cm5 s LEU 3 CO 0.05 -0.08 1.13 0.21 -1.32 0.00 0.00 176.35 176.33 1cm5 s ASN 4 N 2.41 3.29 0.32 3.68 3.84 -1.26 -4.87 114.94 122.34 1cm5 s ASN 4 Ca 0.20 1.02 0.10 0.00 0.21 0.00 0.00 52.86 54.39 1cm5 s ASN 4 Cb -0.00 -1.62 0.52 0.00 -0.55 0.00 0.00 41.25 39.60 1cm5 s ASN 4 CO -0.18 -2.70 1.72 -0.33 -2.79 0.00 0.00 177.10 172.82 1cm5 h GLU 5 N -1.60 0.09 0.12 0.43 5.08 -2.00 -2.46 114.58 114.24 1cm5 h GLU 5 Ca -0.52 -0.04 -0.29 0.00 -1.00 0.00 0.00 59.36 57.51 1cm5 h GLU 5 Cb 1.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 1cm5 h GLU 5 CO 0.61 0.53 -1.38 -0.22 -1.00 0.00 0.00 179.01 177.55 1cm5 h LYS 6 N 0.07 0.26 -0.68 2.33 3.64 -2.00 -3.10 116.57 117.09 1cm5 h LYS 6 Ca 0.00 -0.44 -0.05 0.00 -1.27 0.00 0.00 60.65 58.90 1cm5 h LYS 6 Cb 0.84 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 1cm5 h LYS 6 CO 0.06 1.16 0.24 -0.07 -2.27 0.00 0.00 179.45 178.57 1cm5 h LEU 7 N 0.07 0.97 -1.14 5.20 3.38 -1.91 -1.38 115.31 120.49 1cm5 h LEU 7 Ca -0.18 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.52 1cm5 h LEU 7 Cb 1.99 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.47 1cm5 h LEU 7 CO 0.18 0.90 -0.14 0.00 0.09 0.00 0.00 178.44 179.47 1cm5 h ALA 8 N 1.11 1.28 -0.16 1.53 0.00 -1.53 0.33 119.26 121.82 1cm5 h ALA 8 Ca 0.22 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1cm5 h ALA 8 Cb 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1cm5 h ALA 8 CO -0.01 0.47 -0.52 1.15 0.00 0.00 0.00 179.25 180.34 1cm5 h THR 9 N 0.40 1.33 -0.16 0.00 2.02 -1.40 -2.43 112.91 112.66 1cm5 h THR 9 Ca 0.08 -1.78 -0.14 0.00 0.77 0.00 0.00 66.41 65.34 1cm5 h THR 9 Cb 0.49 2.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 1cm5 h THR 9 CO 0.03 0.55 -0.48 0.00 0.37 0.00 0.00 175.52 175.98 1cm5 h ALA 10 N 0.55 0.86 -0.51 6.16 0.00 -1.02 -3.12 119.26 122.17 1cm5 h ALA 10 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1cm5 h ALA 10 Cb 1.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1cm5 h ALA 10 CO 0.11 0.66 0.00 0.91 0.00 0.00 0.00 179.25 180.93 1cm5 n TRP 11 N -3.98 1.11 -1.67 0.00 8.01 0.08 -4.75 117.44 116.24 1cm5 n TRP 11 Ca -0.02 -0.45 -0.46 0.00 -1.31 0.00 0.00 57.50 55.25 1cm5 n TRP 11 Cb 0.55 -0.18 -0.04 0.00 -2.01 0.00 0.00 31.31 29.63 1cm5 n TRP 11 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 1cm5 n GLU 12 N 0.86 2.40 0.00 -0.99 4.07 -0.92 -1.40 120.64 124.67 1cm5 n GLU 12 Ca 0.20 0.88 0.00 0.00 -0.06 0.00 0.00 57.16 58.18 1cm5 n GLU 12 Cb 0.69 -2.77 0.00 0.00 -0.06 0.00 0.00 31.44 29.30 1cm5 n GLU 12 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1cm5 n GLY 13 N 4.47 3.03 3.78 8.31 0.00 -1.26 -5.07 105.19 118.45 1cm5 n GLY 13 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1cm5 n GLY 13 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cm5 s PHE 14 N -2.82 3.28 0.15 1.61 2.99 -0.49 -5.01 117.98 117.69 1cm5 s PHE 14 Ca 0.00 1.65 -0.30 0.00 0.00 0.00 0.00 56.93 58.27 1cm5 s PHE 14 Cb 0.00 -3.14 -0.07 0.00 0.00 0.00 0.00 43.02 39.81 1cm5 s PHE 14 CO 0.00 -0.63 1.11 0.99 -0.00 0.00 0.00 175.22 176.70 1cm5 s THR 15 N -1.63 3.94 0.85 0.64 2.01 -1.26 -5.02 115.64 115.16 1cm5 s THR 15 Ca 0.57 1.60 -0.10 0.00 0.31 0.00 0.00 61.69 64.07 1cm5 s THR 15 Cb -0.22 -4.02 0.10 0.00 0.01 0.00 0.00 72.50 68.37 1cm5 s THR 15 CO 0.28 0.24 1.12 -1.59 -0.69 0.00 0.00 174.62 173.99 1cm5 s LYS 16 N -0.05 1.58 0.00 4.92 -2.85 -1.26 -4.86 119.74 117.23 1cm5 s LYS 16 Ca 0.51 1.38 0.00 0.00 -1.00 0.00 0.00 55.97 56.86 1cm5 s LYS 16 Cb -0.29 -1.80 0.00 0.00 -2.06 0.00 0.00 37.83 33.68 1cm5 s LYS 16 CO 0.34 -2.18 0.00 0.41 0.10 0.00 0.00 175.35 174.01 1cm5 n GLY 17 N -0.43 -0.61 0.37 0.59 0.00 -1.26 -4.98 105.19 98.86 1cm5 n GLY 17 Ca 0.11 -1.06 0.19 0.00 0.00 0.00 0.00 46.02 45.25 1cm5 n GLY 17 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1cm5 h ASP 18 N 0.00 0.00 -0.13 1.61 3.32 -1.96 -2.04 116.42 117.22 1cm5 h ASP 18 Ca 0.00 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 1cm5 h ASP 18 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1cm5 h ASP 18 CO 0.00 0.00 0.31 4.11 -1.72 0.00 0.00 179.24 181.94 1cm5 h TRP 19 N 0.00 0.00 0.00 4.55 5.08 -1.80 0.91 115.95 124.68 1cm5 h TRP 19 Ca 0.21 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.18 1cm5 h TRP 19 Cb 0.89 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.05 1cm5 h TRP 19 CO 0.00 0.00 -0.27 1.96 -1.28 0.00 0.00 178.44 178.85 1cm5 h GLN 20 N 0.00 0.00 -0.00 0.12 4.20 -1.73 -3.34 115.11 114.36 1cm5 h GLN 20 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1cm5 h GLN 20 Cb 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1cm5 h GLN 20 CO -0.00 0.00 -0.49 0.09 -0.67 0.00 0.00 178.83 177.76 1cm5 n ASN 21 N -2.33 0.53 -3.79 1.46 3.02 0.26 -4.78 115.26 109.63 1cm5 n ASN 21 Ca 0.04 -0.76 -0.09 0.00 -0.03 0.00 0.00 54.58 53.73 1cm5 n ASN 21 Cb 0.45 0.98 -0.04 0.00 -0.61 0.00 0.00 39.78 40.56 1cm5 n ASN 21 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1cm5 s GLU 22 N -1.99 1.35 -0.29 3.52 -1.05 -0.90 -5.05 118.70 114.29 1cm5 s GLU 22 Ca 0.04 -0.93 -0.29 0.00 -0.15 0.00 0.00 54.97 53.64 1cm5 s GLU 22 Cb 0.08 0.50 -0.01 0.00 -0.44 0.00 0.00 34.13 34.26 1cm5 s GLU 22 CO 0.43 -0.56 1.42 0.08 0.95 0.00 0.00 175.26 177.57 1cm5 s VAL 23 N -3.90 3.97 -0.51 1.83 1.01 -1.26 -4.42 120.40 117.12 1cm5 s VAL 23 Ca 0.11 1.08 0.06 0.00 0.00 0.00 0.00 61.98 63.23 1cm5 s VAL 23 Cb -0.00 -4.02 0.19 0.00 0.00 0.00 0.00 36.38 32.55 1cm5 s VAL 23 CO -0.02 -0.46 0.75 -3.20 0.00 0.00 0.00 175.10 172.17 1cm5 n ASN 24 N 8.07 -3.38 -0.05 3.32 2.85 -1.26 -5.02 115.26 119.80 1cm5 n ASN 24 Ca 0.16 -2.84 0.01 0.00 -0.11 0.00 0.00 54.58 51.80 1cm5 n ASN 24 Cb 0.46 1.72 0.31 0.00 1.24 0.00 0.00 39.78 43.52 1cm5 n ASN 24 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1cm5 h VAL 25 N 4.87 1.17 -0.43 3.44 2.07 -1.93 -2.80 116.25 122.64 1cm5 h VAL 25 Ca 0.05 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1cm5 h VAL 25 Cb 1.11 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1cm5 h VAL 25 CO 0.01 0.21 0.24 -0.09 0.02 0.00 0.00 177.57 177.96 1cm5 h ARG 26 N 0.63 0.60 -0.87 1.57 1.12 -1.96 -1.73 114.38 113.74 1cm5 h ARG 26 Ca 0.15 -0.07 -0.03 0.00 -1.11 0.00 0.00 59.98 58.93 1cm5 h ARG 26 Cb 0.15 -0.12 -0.04 0.00 -0.01 0.00 0.00 29.97 29.95 1cm5 h ARG 26 CO -0.01 0.48 0.44 0.22 -3.11 0.00 0.00 179.97 177.99 1cm5 h ASP 27 N 0.56 1.12 -0.53 -3.80 1.82 -1.93 -0.12 116.42 113.54 1cm5 h ASP 27 Ca 0.15 -0.12 -0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1cm5 h ASP 27 Cb 0.05 -0.29 -0.03 0.00 0.68 0.00 0.00 39.33 39.75 1cm5 h ASP 27 CO -0.02 0.93 0.32 0.15 -1.61 0.00 0.00 179.24 179.01 1cm5 h PHE 28 N 1.24 0.70 -0.02 0.28 3.57 -1.24 -0.03 116.94 121.44 1cm5 h PHE 28 Ca 0.30 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 1cm5 h PHE 28 Cb 0.08 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.59 1cm5 h PHE 28 CO 0.01 0.48 0.01 0.82 -2.23 0.00 0.00 178.31 177.40 1cm5 h ILE 29 N 0.71 1.12 -0.98 1.41 2.04 -0.78 -1.64 117.51 119.38 1cm5 h ILE 29 Ca 0.19 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.74 1cm5 h ILE 29 Cb -0.02 1.33 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 1cm5 h ILE 29 CO -0.04 0.09 0.64 1.56 0.00 0.00 0.00 178.15 180.41 1cm5 h GLN 30 N -0.12 1.19 0.00 2.37 1.08 -0.74 -0.28 115.11 118.61 1cm5 h GLN 30 Ca 0.01 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1cm5 h GLN 30 Cb 0.15 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 1cm5 h GLN 30 CO -0.00 0.79 -0.10 1.63 -0.95 0.00 0.00 178.83 180.20 1cm5 n LYS 31 N -4.47 0.10 0.00 1.46 4.76 -0.05 -4.53 118.16 115.44 1cm5 n LYS 31 Ca 0.14 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 1cm5 n LYS 31 Cb 0.11 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 1cm5 n LYS 31 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1cm5 n ASN 32 N -1.78 3.23 -4.76 4.39 3.02 -0.63 -4.51 115.26 114.22 1cm5 n ASN 32 Ca 0.06 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.26 1cm5 n ASN 32 Cb 0.37 0.51 0.03 0.00 -0.61 0.00 0.00 39.78 40.09 1cm5 n ASN 32 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1cm5 s TYR 33 N -1.43 2.48 -0.34 3.10 -0.85 -0.17 -4.89 117.35 115.25 1cm5 s TYR 33 Ca 0.00 1.54 -0.07 0.00 -0.52 0.00 0.00 57.07 58.01 1cm5 s TYR 33 Cb 0.00 -3.37 0.04 0.00 0.38 0.00 0.00 41.96 39.00 1cm5 s TYR 33 CO 0.00 -1.97 0.12 0.95 -1.52 0.00 0.00 175.55 173.13 1cm5 s THR 34 N -1.79 3.95 0.45 -3.49 -4.23 -1.26 -5.02 115.64 104.24 1cm5 s THR 34 Ca 0.74 -1.05 -0.25 0.00 -1.18 0.00 0.00 61.69 59.94 1cm5 s THR 34 Cb -0.27 -3.22 -0.08 0.00 1.34 0.00 0.00 72.50 70.27 1cm5 s THR 34 CO 0.33 -0.17 1.43 -2.84 -0.54 0.00 0.00 174.62 172.83 1cm5 s PRO 35 N 1.44 3.71 -0.10 3.99 0.02 -1.26 -4.68 135.00 138.12 1cm5 s PRO 35 Ca -0.01 2.44 0.02 0.00 0.02 0.00 0.00 61.00 63.47 1cm5 s PRO 35 Cb -0.19 -2.68 0.01 0.00 0.02 0.00 0.00 34.50 31.66 1cm5 s PRO 35 CO 0.04 -0.80 -0.15 -0.47 -0.33 0.00 0.00 177.00 175.29 1cm5 s TYR 36 N -1.19 1.88 -0.46 6.54 5.04 -0.63 -4.98 117.35 123.54 1cm5 s TYR 36 Ca 0.60 -0.85 0.04 0.00 -2.44 0.00 0.00 57.07 54.42 1cm5 s TYR 36 Cb -0.44 -1.36 0.04 0.00 0.35 0.00 0.00 41.96 40.55 1cm5 s TYR 36 CO 0.57 -0.44 0.70 0.39 -1.34 0.00 0.00 175.55 175.43 1cm5 n GLU 37 N 4.14 0.12 -0.91 4.97 1.02 -1.26 -4.58 120.64 124.13 1cm5 n GLU 37 Ca -0.19 -0.89 -0.17 0.00 -0.02 0.00 0.00 57.16 55.88 1cm5 n GLU 37 Cb 0.51 -1.08 0.13 0.00 -0.02 0.00 0.00 31.44 30.98 1cm5 n GLU 37 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1cm5 n GLY 38 N 0.16 -1.80 0.00 0.62 0.00 -1.26 -4.67 105.19 98.24 1cm5 n GLY 38 Ca 0.03 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1cm5 n GLY 38 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cm5 n ASP 39 N -3.70 0.00 -0.58 1.61 3.85 -1.26 -4.58 116.55 111.90 1cm5 n ASP 39 Ca 0.09 -0.26 0.12 0.00 -0.71 0.00 0.00 54.79 54.03 1cm5 n ASP 39 Cb 0.33 0.00 0.41 0.00 -1.35 0.00 0.00 41.12 40.51 1cm5 n ASP 39 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1cm5 n GLU 40 N -0.26 1.77 0.32 0.11 4.71 -1.26 -4.45 120.64 121.58 1cm5 n GLU 40 Ca 0.00 -1.15 0.19 0.00 -0.01 0.00 0.00 57.16 56.20 1cm5 n GLU 40 Cb 0.00 -1.43 1.02 0.00 -1.01 0.00 0.00 31.44 30.02 1cm5 n GLU 40 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1cm5 h SER 41 N 2.46 0.00 1.75 1.62 4.64 -2.02 -1.85 113.55 120.15 1cm5 h SER 41 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1cm5 h SER 41 Cb 0.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1cm5 h SER 41 CO 0.00 0.00 -0.25 2.19 -0.87 0.00 0.00 176.83 177.90 1cm5 h PHE 42 N 0.00 0.00 -2.19 4.77 -5.15 -2.02 -3.47 116.94 108.88 1cm5 h PHE 42 Ca 0.01 0.00 -0.62 0.00 -0.20 0.00 0.00 57.97 57.15 1cm5 h PHE 42 Cb 0.32 0.00 0.08 0.00 0.22 0.00 0.00 35.95 36.57 1cm5 h PHE 42 CO 0.00 0.20 0.44 1.28 -2.00 0.00 0.00 178.31 178.24 1cm5 n LEU 43 N -3.13 2.19 -4.98 2.10 4.77 -0.70 -5.00 117.00 112.25 1cm5 n LEU 43 Ca 0.03 1.14 -0.20 0.00 -0.03 0.00 0.00 56.01 56.94 1cm5 n LEU 43 Cb 0.62 -1.30 -0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1cm5 n LEU 43 CO 0.37 -0.93 0.12 0.00 -1.33 0.00 0.00 177.39 175.62 1cm5 s ALA 44 N -0.00 4.07 0.73 -1.18 0.00 -1.26 -5.11 121.76 119.01 1cm5 s ALA 44 Ca 0.73 -1.32 -0.00 0.00 0.00 0.00 0.00 51.96 51.37 1cm5 s ALA 44 Cb -0.78 -1.82 0.14 0.00 0.00 0.00 0.00 23.12 20.66 1cm5 s ALA 44 CO 0.50 -0.11 1.00 0.20 0.00 0.00 0.00 175.76 177.35 1cm5 s GLY 45 N -4.17 1.75 0.55 0.00 0.00 -1.26 -4.96 107.32 99.23 1cm5 s GLY 45 Ca 0.45 -1.82 -0.19 0.00 0.00 0.00 0.00 44.72 43.17 1cm5 s GLY 45 CO 0.33 -1.22 1.10 0.00 0.00 0.00 0.00 173.10 173.31 1cm5 s ALA 46 N -3.15 2.71 0.49 3.20 0.00 -1.26 -4.89 121.76 118.85 1cm5 s ALA 46 Ca 0.67 0.70 -0.00 0.00 0.00 0.00 0.00 51.96 53.33 1cm5 s ALA 46 Cb -0.05 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.76 1cm5 s ALA 46 CO 0.45 -0.74 0.72 0.95 0.00 0.00 0.00 175.76 177.13 1cm5 s THR 47 N -1.95 3.70 0.27 0.00 -4.23 -1.26 -4.96 115.64 107.21 1cm5 s THR 47 Ca 0.70 -0.47 -0.03 0.00 -1.18 0.00 0.00 61.69 60.70 1cm5 s THR 47 Cb -0.21 -3.38 0.22 0.00 1.34 0.00 0.00 72.50 70.46 1cm5 s THR 47 CO 0.28 -0.28 1.90 -0.08 -0.54 0.00 0.00 174.62 175.89 1cm5 h GLU 48 N 0.27 1.06 -0.42 3.99 4.81 -1.99 -2.30 114.58 120.00 1cm5 h GLU 48 Ca -0.45 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 58.67 1cm5 h GLU 48 Cb 1.26 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 1cm5 h GLU 48 CO 0.57 0.79 0.26 0.00 -0.73 0.00 0.00 179.01 179.89 1cm5 h ALA 49 N 1.38 0.54 0.19 2.92 0.00 -1.94 0.00 119.26 122.35 1cm5 h ALA 49 Ca 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1cm5 h ALA 49 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1cm5 h ALA 49 CO -0.04 -0.06 -0.13 1.15 0.00 0.00 0.00 179.25 180.17 1cm5 h THR 50 N 0.52 0.72 -0.90 0.00 2.02 -1.81 -0.87 112.91 112.59 1cm5 h THR 50 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.35 1cm5 h THR 50 Cb -0.00 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1cm5 h THR 50 CO -0.07 0.00 0.57 0.74 0.37 0.00 0.00 175.52 177.13 1cm5 h THR 51 N -0.31 1.24 -0.06 3.16 2.02 -1.24 0.55 112.91 118.27 1cm5 h THR 51 Ca -0.01 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 1cm5 h THR 51 Cb 0.27 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1cm5 h THR 51 CO 0.00 0.24 0.03 0.74 0.37 0.00 0.00 175.52 176.91 1cm5 h THR 52 N 1.23 1.11 0.20 3.16 2.02 -0.80 -1.10 112.91 118.73 1cm5 h THR 52 Ca 0.33 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1cm5 h THR 52 Cb -0.09 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1cm5 h THR 52 CO -0.07 0.09 -0.11 -0.07 0.37 0.00 0.00 175.52 175.73 1cm5 h LEU 53 N -0.04 -0.28 -0.71 2.58 3.38 -0.74 -2.40 115.31 117.11 1cm5 h LEU 53 Ca 0.02 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1cm5 h LEU 53 Cb 0.13 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1cm5 h LEU 53 CO -0.00 -0.19 0.29 -0.25 0.09 0.00 0.00 178.44 178.38 1cm5 h TRP 54 N -0.30 1.07 -0.52 1.13 -0.00 -0.88 -2.06 115.95 114.39 1cm5 h TRP 54 Ca -0.02 -0.08 -0.02 0.00 -0.00 0.00 0.00 58.89 58.77 1cm5 h TRP 54 Cb 0.24 -0.32 -0.03 0.00 -0.00 0.00 0.00 29.16 29.06 1cm5 h TRP 54 CO -0.08 0.82 0.26 -0.44 -0.00 0.00 0.00 178.44 179.00 1cm5 h ASP 55 N 1.00 0.65 -0.44 2.65 3.45 -1.13 0.66 116.42 123.27 1cm5 h ASP 55 Ca 0.24 -0.06 -0.12 0.00 0.43 0.00 0.00 57.03 57.52 1cm5 h ASP 55 Cb 0.20 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.79 1cm5 h ASP 55 CO -0.02 0.55 -0.21 0.50 -1.57 0.00 0.00 179.24 178.49 1cm5 h LYS 56 N 0.73 0.92 -0.27 3.56 1.63 -1.04 -3.03 116.57 119.06 1cm5 h LYS 56 Ca 0.18 -0.40 -0.13 0.00 -0.85 0.00 0.00 60.65 59.45 1cm5 h LYS 56 Cb 0.07 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1cm5 h LYS 56 CO -0.03 1.06 -0.37 0.28 -3.45 0.00 0.00 179.45 176.94 1cm5 h VAL 57 N 0.75 1.29 0.00 2.00 2.07 -0.79 -2.78 116.25 118.78 1cm5 h VAL 57 Ca 0.10 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.10 1cm5 h VAL 57 Cb 0.78 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1cm5 h VAL 57 CO 0.06 0.48 -0.00 0.24 0.02 0.00 0.00 177.57 178.38 1cm5 h MET 58 N 0.52 0.00 -0.27 1.57 2.86 -0.77 -0.36 114.93 118.48 1cm5 h MET 58 Ca 0.05 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 1cm5 h MET 58 Cb 0.87 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 1cm5 h MET 58 CO 0.08 0.00 -0.24 0.93 1.06 0.00 0.00 176.91 178.73 1cm5 h GLU 59 N 0.00 0.52 -0.04 1.72 4.39 -1.41 -0.11 114.58 119.64 1cm5 h GLU 59 Ca -0.00 -0.20 -0.21 0.00 0.34 0.00 0.00 59.36 59.30 1cm5 h GLU 59 Cb 0.00 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1cm5 h GLU 59 CO 0.00 0.73 -0.84 0.78 -1.16 0.00 0.00 179.01 178.52 1cm5 h GLY 60 N 1.01 0.47 1.00 -3.84 0.00 -1.19 -2.95 103.07 97.58 1cm5 h GLY 60 Ca 0.07 -0.75 -0.05 0.00 0.00 0.00 0.00 47.33 46.60 1cm5 h GLY 60 CO 0.05 0.66 0.17 -2.08 0.00 0.00 0.00 176.54 175.34 1cm5 h VAL 61 N 0.27 1.24 -0.76 4.60 2.07 -1.00 -1.03 116.25 121.64 1cm5 h VAL 61 Ca -0.06 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1cm5 h VAL 61 Cb 1.45 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1cm5 h VAL 61 CO 0.15 0.31 0.42 0.11 0.02 0.00 0.00 177.57 178.57 1cm5 h LYS 62 N 0.79 1.06 -0.79 1.57 1.57 -1.05 -1.31 116.57 118.41 1cm5 h LYS 62 Ca 0.18 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1cm5 h LYS 62 Cb 0.30 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 1cm5 h LYS 62 CO -0.00 0.79 0.35 1.25 -0.57 0.00 0.00 179.45 181.26 1cm5 h LEU 63 N 1.05 1.06 0.15 2.94 5.85 -1.27 -0.15 115.31 124.94 1cm5 h LEU 63 Ca 0.27 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1cm5 h LEU 63 Cb 0.03 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.79 1cm5 h LEU 63 CO -0.04 0.92 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.57 1cm5 h GLU 64 N 1.13 -0.19 -0.69 1.25 5.08 -0.67 -1.15 114.58 119.33 1cm5 h GLU 64 Ca 0.27 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1cm5 h GLU 64 Cb 0.16 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1cm5 h GLU 64 CO -0.03 -0.05 0.38 -0.91 -1.00 0.00 0.00 179.01 177.40 1cm5 h ASN 65 N -0.29 0.87 -0.19 1.42 2.35 -1.05 0.47 115.58 119.16 1cm5 h ASN 65 Ca -0.02 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1cm5 h ASN 65 Cb 0.23 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1cm5 h ASN 65 CO 0.03 0.71 0.08 -0.09 -1.65 0.00 0.00 177.43 176.52 1cm5 h ARG 66 N 0.95 0.28 0.00 0.81 2.43 -0.93 -3.18 114.38 114.74 1cm5 h ARG 66 Ca 0.24 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1cm5 h ARG 66 Cb 0.04 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1cm5 h ARG 66 CO -0.04 0.33 -0.60 0.25 -1.51 0.00 0.00 179.97 178.40 1cm5 n THR 67 N -4.85 0.21 -3.74 0.20 -2.24 -0.44 -4.94 114.28 98.47 1cm5 n THR 67 Ca -0.04 -0.17 -0.28 0.00 -2.27 0.00 0.00 64.05 61.28 1cm5 n THR 67 Cb 0.11 0.02 0.02 0.00 -2.10 0.00 0.00 70.33 68.38 1cm5 n THR 67 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1cm5 n HIS 68 N -1.88 -2.18 -3.85 4.78 -0.00 0.17 -4.95 115.22 107.30 1cm5 n HIS 68 Ca 0.04 0.79 -0.09 0.00 0.46 0.00 0.00 57.72 58.92 1cm5 n HIS 68 Cb 0.40 -3.83 -0.06 0.00 -0.12 0.00 0.00 29.99 26.38 1cm5 n HIS 68 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1cm5 s ALA 69 N -3.22 -0.33 0.61 1.57 0.00 -1.16 -5.06 121.76 114.17 1cm5 s ALA 69 Ca 0.59 -0.59 -0.18 0.00 0.00 0.00 0.00 51.96 51.78 1cm5 s ALA 69 Cb -0.30 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 1cm5 s ALA 69 CO 0.73 -0.62 1.21 -2.14 0.00 0.00 0.00 175.76 174.94 1cm5 s PRO 70 N -3.90 2.85 0.26 0.00 0.02 -1.26 -4.43 135.00 128.54 1cm5 s PRO 70 Ca 0.10 1.83 0.01 0.00 0.02 0.00 0.00 61.00 62.95 1cm5 s PRO 70 Cb 0.03 -1.91 0.33 0.00 0.02 0.00 0.00 34.50 32.96 1cm5 s PRO 70 CO -0.06 -1.30 1.67 0.28 -0.33 0.00 0.00 177.00 177.26 1cm5 h VAL 71 N 0.71 1.28 -1.37 3.83 2.07 -1.91 -3.47 116.25 117.39 1cm5 h VAL 71 Ca -0.50 -1.40 0.30 0.00 0.82 0.00 0.00 66.70 65.92 1cm5 h VAL 71 Cb 1.30 1.43 -0.17 0.00 -1.52 0.00 0.00 31.29 32.33 1cm5 h VAL 71 CO 0.54 0.44 0.86 -0.62 0.02 0.00 0.00 177.57 178.81 1cm5 s ASP 72 N -6.82 -0.08 -0.01 0.57 3.68 -1.26 -5.05 116.67 107.69 1cm5 s ASP 72 Ca -0.07 -0.04 -0.28 0.00 2.13 0.00 0.00 52.55 54.28 1cm5 s ASP 72 Cb 0.13 0.12 0.10 0.00 -1.45 0.00 0.00 42.92 41.82 1cm5 s ASP 72 CO 0.80 -0.21 0.83 0.72 0.13 0.00 0.00 175.17 177.45 1cm5 s PHE 73 N -2.34 -0.42 0.61 -5.34 -0.12 -1.26 -1.03 117.98 108.08 1cm5 s PHE 73 Ca 0.12 0.41 -0.18 0.00 -0.05 0.00 0.00 56.93 57.22 1cm5 s PHE 73 Cb 0.01 0.51 -0.03 0.00 -0.63 0.00 0.00 43.02 42.89 1cm5 s PHE 73 CO -0.04 -0.57 1.18 -0.51 -0.05 0.00 0.00 175.22 175.22 1cm5 s ASP 74 N -2.14 5.19 0.00 1.98 -0.00 0.28 -4.90 116.67 117.08 1cm5 s ASP 74 Ca 0.01 2.29 0.00 0.00 -0.00 0.00 0.00 52.55 54.85 1cm5 s ASP 74 Cb -0.01 -2.59 0.00 0.00 -0.00 0.00 0.00 42.92 40.32 1cm5 s ASP 74 CO -0.06 -1.59 0.00 0.35 -0.00 0.00 0.00 175.17 173.87 1cm5 n THR 75 N -1.76 0.00 -0.41 -1.27 -2.24 -1.26 -4.68 114.28 102.66 1cm5 n THR 75 Ca 0.13 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1cm5 n THR 75 Cb 0.50 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1cm5 n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cm5 n ALA 76 N -0.55 1.48 -3.40 6.98 0.00 -1.26 -1.04 120.51 122.71 1cm5 n ALA 76 Ca 0.00 -0.33 -0.33 0.00 0.00 0.00 0.00 53.44 52.77 1cm5 n ALA 76 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1cm5 n ALA 76 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1cm5 s VAL 77 N -0.04 2.90 -0.33 0.00 1.01 -1.26 -4.91 120.40 117.77 1cm5 s VAL 77 Ca 0.00 -0.68 -0.26 0.00 0.00 0.00 0.00 61.98 61.03 1cm5 s VAL 77 Cb 0.00 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.14 1cm5 s VAL 77 CO 0.00 0.50 0.93 0.00 0.00 0.00 0.00 175.10 176.53 1cm5 s ALA 78 N 0.86 3.49 0.22 5.51 0.00 -1.26 -4.16 121.76 126.42 1cm5 s ALA 78 Ca -0.04 -0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.33 1cm5 s ALA 78 Cb -0.15 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 19.38 1cm5 s ALA 78 CO -0.00 -1.41 1.11 0.45 0.00 0.00 0.00 175.76 175.91 1cm5 s SER 79 N 1.70 7.24 0.23 0.00 0.15 -0.04 -4.86 113.70 118.12 1cm5 s SER 79 Ca 0.39 2.19 0.03 0.00 0.70 0.00 0.00 55.95 59.25 1cm5 s SER 79 Cb -0.13 -2.61 -0.01 0.00 -1.71 0.00 0.00 66.02 61.56 1cm5 s SER 79 CO 0.15 -0.21 0.24 0.35 1.20 0.00 0.00 173.24 174.97 1cm5 n THR 80 N 1.88 0.00 -0.14 6.45 -2.24 -1.24 -4.81 114.28 114.18 1cm5 n THR 80 Ca 0.01 -1.50 -0.02 0.00 -2.27 0.00 0.00 64.05 60.28 1cm5 n THR 80 Cb 0.45 0.80 0.22 0.00 -2.10 0.00 0.00 70.33 69.70 1cm5 n THR 80 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1cm5 h ILE 81 N 1.72 1.21 -0.18 2.28 2.04 -1.85 -3.22 117.51 119.51 1cm5 h ILE 81 Ca -0.17 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1cm5 h ILE 81 Cb 0.81 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1cm5 h ILE 81 CO 0.24 0.26 0.00 0.35 0.00 0.00 0.00 178.15 179.00 1cm5 n THR 82 N -4.32 0.43 -0.22 -0.27 -2.24 -1.26 -4.72 114.28 101.67 1cm5 n THR 82 Ca 0.05 -0.72 -0.05 0.00 -2.27 0.00 0.00 64.05 61.06 1cm5 n THR 82 Cb 0.17 0.93 0.05 0.00 -2.10 0.00 0.00 70.33 69.38 1cm5 n THR 82 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1cm5 h SER 83 N 2.37 0.69 -3.17 3.42 4.64 -1.89 -3.45 113.55 116.17 1cm5 h SER 83 Ca 0.00 -0.01 -0.54 0.00 -0.47 0.00 0.00 61.79 60.77 1cm5 h SER 83 Cb 0.62 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1cm5 h SER 83 CO 0.00 0.49 -0.21 -1.00 -0.87 0.00 0.00 176.83 175.24 1cm5 s HIS 84 N -6.14 3.47 0.82 4.77 3.76 -1.26 -5.01 115.29 115.70 1cm5 s HIS 84 Ca -0.13 0.61 -0.12 0.00 -0.15 0.00 0.00 55.06 55.27 1cm5 s HIS 84 Cb 0.14 -2.06 0.09 0.00 1.11 0.00 0.00 32.58 31.86 1cm5 s HIS 84 CO 0.76 0.28 1.18 -0.51 -0.85 0.00 0.00 174.74 175.60 1cm5 s ASP 85 N -2.87 4.37 0.35 1.40 1.01 -1.26 -5.00 116.67 114.67 1cm5 s ASP 85 Ca 0.43 0.69 -0.28 0.00 0.71 0.00 0.00 52.55 54.10 1cm5 s ASP 85 Cb -0.11 -1.15 -0.11 0.00 1.01 0.00 0.00 42.92 42.57 1cm5 s ASP 85 CO 0.27 -1.97 1.38 0.00 0.21 0.00 0.00 175.17 175.06 1cm5 s ALA 86 N -3.58 3.53 0.06 5.23 0.00 -1.26 -4.25 121.76 121.49 1cm5 s ALA 86 Ca 0.63 1.39 0.06 0.00 0.00 0.00 0.00 51.96 54.04 1cm5 s ALA 86 Cb -0.10 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 1cm5 s ALA 86 CO 0.49 -0.81 -0.17 0.20 0.00 0.00 0.00 175.76 175.48 1cm5 s GLY 87 N -0.33 0.96 0.11 0.00 0.00 -1.26 -4.80 107.32 102.00 1cm5 s GLY 87 Ca 0.51 -1.00 -0.02 0.00 0.00 0.00 0.00 44.72 44.21 1cm5 s GLY 87 CO 0.57 -0.98 0.06 -0.19 0.00 0.00 0.00 173.10 172.56 1cm5 s TYR 88 N -1.00 0.67 -0.18 1.90 1.51 -1.26 -4.29 117.35 114.70 1cm5 s TYR 88 Ca 0.03 -1.10 -0.15 0.00 -1.01 0.00 0.00 57.07 54.85 1cm5 s TYR 88 Cb -0.09 -0.38 -0.21 0.00 -0.11 0.00 0.00 41.96 41.17 1cm5 s TYR 88 CO 0.02 -0.50 0.21 -0.89 -1.11 0.00 0.00 175.55 173.28 1cm5 n ILE 89 N -0.04 1.63 -3.12 2.71 5.41 -1.26 -4.53 119.36 120.16 1cm5 n ILE 89 Ca -0.09 -0.31 0.04 0.00 1.00 0.00 0.00 62.75 63.39 1cm5 n ILE 89 Cb 0.63 -1.89 -0.00 0.00 -0.71 0.00 0.00 39.64 37.66 1cm5 n ILE 89 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1cm5 s ASN 90 N -6.96 -1.00 0.41 4.38 3.84 -1.26 -5.06 114.94 109.28 1cm5 s ASN 90 Ca -0.27 0.00 0.16 0.00 0.21 0.00 0.00 52.86 52.96 1cm5 s ASN 90 Cb 0.07 1.56 1.05 0.00 -0.55 0.00 0.00 41.25 43.38 1cm5 s ASN 90 CO 0.65 -0.17 1.85 0.50 -2.79 0.00 0.00 177.10 177.14 1cm5 h LYS 91 N 7.35 0.43 0.00 0.43 3.64 -1.95 -1.44 116.57 125.02 1cm5 h LYS 91 Ca -0.04 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1cm5 h LYS 91 Cb 1.19 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1cm5 h LYS 91 CO 0.02 0.28 -0.01 1.96 -2.27 0.00 0.00 179.45 179.43 1cm5 h GLN 92 N 0.44 0.00 0.00 1.90 7.50 -2.03 -3.28 115.11 119.64 1cm5 h GLN 92 Ca 0.47 0.00 -0.14 0.00 0.50 0.00 0.00 58.65 59.49 1cm5 h GLN 92 Cb 1.13 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.63 1cm5 h GLN 92 CO -0.19 0.01 -1.81 1.28 -1.50 0.00 0.00 178.83 176.62 1cm5 n LEU 93 N -3.13 0.00 -4.69 1.46 4.77 -0.57 -5.01 117.00 109.84 1cm5 n LEU 93 Ca -0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.55 1cm5 n LEU 93 Cb 0.24 0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1cm5 n LEU 93 CO 0.26 0.19 1.09 -1.61 -1.33 0.00 0.00 177.39 175.98 1cm5 s GLU 94 N -2.63 4.29 0.02 3.23 2.02 -1.07 -4.89 118.70 119.68 1cm5 s GLU 94 Ca -0.06 1.90 0.11 0.00 0.02 0.00 0.00 54.97 56.94 1cm5 s GLU 94 Cb 0.06 -3.58 -0.21 0.00 0.10 0.00 0.00 34.13 30.50 1cm5 s GLU 94 CO 0.58 -0.56 0.88 0.87 0.02 0.00 0.00 175.26 177.06 1cm5 h LYS 95 N 7.78 0.00 -4.67 1.61 1.79 -1.92 -3.44 116.57 117.72 1cm5 h LYS 95 Ca -0.37 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.51 1cm5 h LYS 95 Cb 1.17 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 31.47 1cm5 h LYS 95 CO 0.90 0.65 -0.83 0.42 -1.08 0.00 0.00 179.45 179.50 1cm5 s ILE 96 N -2.66 1.51 0.36 1.86 -1.09 -1.26 -4.99 121.20 114.93 1cm5 s ILE 96 Ca -0.03 -0.62 0.08 0.00 -2.23 0.00 0.00 60.65 57.86 1cm5 s ILE 96 Cb 0.09 -1.40 -0.04 0.00 -1.58 0.00 0.00 42.46 39.53 1cm5 s ILE 96 CO 0.82 0.45 0.20 0.68 -1.23 0.00 0.00 174.94 175.86 1cm5 s VAL 97 N 1.27 2.99 0.00 2.92 -7.23 -1.26 -4.84 120.40 114.25 1cm5 s VAL 97 Ca -0.00 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 1cm5 s VAL 97 Cb -0.14 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 33.78 1cm5 s VAL 97 CO -0.06 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.20 1cm5 n GLY 98 N -1.25 3.40 3.16 2.32 0.00 -1.26 -4.89 105.19 106.66 1cm5 n GLY 98 Ca -0.02 -0.79 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 1cm5 n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cm5 s LEU 99 N 0.00 2.30 0.14 0.99 1.43 -1.26 -5.00 118.68 117.28 1cm5 s LEU 99 Ca 0.00 -0.65 -0.18 0.00 -1.03 0.00 0.00 54.13 52.27 1cm5 s LEU 99 Cb 0.00 -0.43 0.00 0.00 0.03 0.00 0.00 46.19 45.79 1cm5 s LEU 99 CO 0.00 -0.13 1.75 1.56 0.23 0.00 0.00 176.35 179.76 1cm5 h GLN 100 N 4.16 0.23 0.00 1.70 4.20 -1.91 -3.45 115.11 120.04 1cm5 h GLN 100 Ca -0.39 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.30 1cm5 h GLN 100 Cb 1.19 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.92 1cm5 h GLN 100 CO 0.43 0.15 0.00 0.25 -0.67 0.00 0.00 178.83 178.99 1cm5 n THR 101 N -5.02 0.00 1.64 -0.54 -2.24 -1.26 -4.82 114.28 102.04 1cm5 n THR 101 Ca -0.01 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.92 1cm5 n THR 101 Cb 0.09 -0.33 0.66 0.00 -2.10 0.00 0.00 70.33 68.65 1cm5 n THR 101 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1cm5 n GLU 102 N -0.04 1.35 -3.91 -0.78 0.00 -1.26 -4.14 120.64 111.86 1cm5 n GLU 102 Ca 0.00 -0.59 -0.11 0.00 0.00 0.00 0.00 57.16 56.47 1cm5 n GLU 102 Cb 0.00 -1.49 -0.11 0.00 0.00 0.00 0.00 31.44 29.84 1cm5 n GLU 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1cm5 s ALA 103 N -2.06 -0.09 0.11 -1.84 0.00 -1.26 -4.16 121.76 112.46 1cm5 s ALA 103 Ca 0.40 -0.23 -0.33 0.00 0.00 0.00 0.00 51.96 51.79 1cm5 s ALA 103 Cb 0.21 0.06 -0.12 0.00 0.00 0.00 0.00 23.12 23.27 1cm5 s ALA 103 CO 0.36 -0.14 1.71 -2.30 0.00 0.00 0.00 175.76 175.40 1cm5 n PRO 104 N 1.96 2.39 -0.79 0.00 -0.02 -1.26 -2.24 135.00 135.05 1cm5 n PRO 104 Ca -0.20 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1cm5 n PRO 104 Cb 0.56 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1cm5 n PRO 104 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1cm5 n LEU 105 N 4.60 0.64 -4.67 2.45 4.77 -1.26 -4.97 117.00 118.56 1cm5 n LEU 105 Ca 0.18 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.73 1cm5 n LEU 105 Cb 0.32 -1.23 -0.02 0.00 -2.33 0.00 0.00 43.42 40.16 1cm5 n LEU 105 CO 0.66 -0.42 0.97 -0.75 -1.33 0.00 0.00 177.39 176.52 1cm5 s LYS 106 N -0.85 4.29 0.31 3.23 2.20 -0.95 -4.44 119.74 123.54 1cm5 s LYS 106 Ca 0.00 1.54 -0.20 0.00 -0.36 0.00 0.00 55.97 56.95 1cm5 s LYS 106 Cb 0.00 -3.66 -0.09 0.00 -1.51 0.00 0.00 37.83 32.57 1cm5 s LYS 106 CO 0.00 -0.58 0.82 1.03 -0.36 0.00 0.00 175.35 176.26 1cm5 s ARG 107 N 2.95 4.25 0.54 4.03 0.52 -0.20 -4.41 118.95 126.63 1cm5 s ARG 107 Ca 0.51 0.97 0.06 0.00 -0.52 0.00 0.00 55.73 56.75 1cm5 s ARG 107 Cb -0.20 -2.60 0.06 0.00 0.52 0.00 0.00 34.95 32.73 1cm5 s ARG 107 CO 0.14 0.22 0.74 0.00 0.02 0.00 0.00 175.30 176.42 1cm5 s ALA 108 N -1.80 4.35 -0.24 2.13 0.00 -1.26 -0.55 121.76 124.39 1cm5 s ALA 108 Ca 0.51 -1.77 -0.07 0.00 0.00 0.00 0.00 51.96 50.64 1cm5 s ALA 108 Cb -0.14 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 1cm5 s ALA 108 CO 0.19 -0.72 0.05 -0.51 0.00 0.00 0.00 175.76 174.76 1cm5 s LEU 109 N -4.64 3.35 -0.77 0.00 1.43 -1.26 -4.34 118.68 112.45 1cm5 s LEU 109 Ca 0.59 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.50 1cm5 s LEU 109 Cb -0.08 -1.89 0.19 0.00 0.03 0.00 0.00 46.19 44.44 1cm5 s LEU 109 CO 0.38 -0.02 0.59 -0.63 0.23 0.00 0.00 176.35 176.90 1cm5 s ILE 110 N 1.49 3.38 0.39 -0.59 -1.09 -1.26 -0.86 121.20 122.66 1cm5 s ILE 110 Ca 0.06 -4.17 0.29 0.00 -2.23 0.00 0.00 60.65 54.59 1cm5 s ILE 110 Cb -0.15 -3.17 0.31 0.00 -1.58 0.00 0.00 42.46 37.87 1cm5 s ILE 110 CO 0.02 -1.04 2.07 1.55 -1.23 0.00 0.00 174.94 176.32 1cm5 h PRO 111 N 5.57 0.00 -0.16 2.79 0.13 -1.89 -3.27 132.00 135.18 1cm5 h PRO 111 Ca 0.15 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.33 1cm5 h PRO 111 Cb 0.77 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 1cm5 h PRO 111 CO 0.77 0.11 0.21 0.74 -0.23 0.00 0.00 178.00 179.59 1cm5 h PHE 112 N 0.00 0.00 0.00 1.56 -1.00 -1.93 -0.41 116.94 115.16 1cm5 h PHE 112 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1cm5 h PHE 112 Cb 0.35 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.91 1cm5 h PHE 112 CO 0.00 0.00 -0.13 0.78 -1.61 0.00 0.00 178.31 177.35 1cm5 h GLY 113 N 0.00 0.00 0.00 -1.45 0.00 -1.86 -2.25 103.07 97.52 1cm5 h GLY 113 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1cm5 h GLY 113 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1cm5 n GLY 114 N 1.15 4.65 0.08 4.60 0.00 -0.16 -1.26 105.19 114.25 1cm5 n GLY 114 Ca 0.04 -0.70 -0.06 0.00 0.00 0.00 0.00 46.02 45.30 1cm5 n GLY 114 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1cm5 h ILE 115 N 0.00 1.04 -0.97 -0.61 6.09 -1.79 -3.37 117.51 117.90 1cm5 h ILE 115 Ca 0.00 -2.75 0.05 0.00 -1.37 0.00 0.00 64.86 60.79 1cm5 h ILE 115 Cb 0.00 2.48 -0.06 0.00 0.47 0.00 0.00 36.82 39.71 1cm5 h ILE 115 CO 0.00 0.59 0.64 0.11 -3.07 0.00 0.00 178.15 176.42 1cm5 h LYS 116 N 0.00 1.15 -0.37 2.19 1.57 -1.95 -1.26 116.57 117.90 1cm5 h LYS 116 Ca -0.16 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.46 1cm5 h LYS 116 Cb 1.82 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 33.85 1cm5 h LYS 116 CO 0.09 0.76 -0.13 0.52 -0.57 0.00 0.00 179.45 180.12 1cm5 h MET 117 N 1.19 0.67 -0.46 3.15 2.86 -1.92 -1.22 114.93 119.19 1cm5 h MET 117 Ca 0.40 -0.22 -0.11 0.00 -2.06 0.00 0.00 59.70 57.72 1cm5 h MET 117 Cb 0.08 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1cm5 h MET 117 CO -0.14 0.77 -0.15 0.82 1.06 0.00 0.00 176.91 179.28 1cm5 h ILE 118 N 0.60 1.27 -0.52 -1.22 2.04 -1.53 -1.27 117.51 116.88 1cm5 h ILE 118 Ca 0.10 -1.26 -0.05 0.00 1.00 0.00 0.00 64.86 64.65 1cm5 h ILE 118 Cb 0.57 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1cm5 h ILE 118 CO 0.04 0.43 0.15 -0.33 0.00 0.00 0.00 178.15 178.44 1cm5 h GLU 119 N 0.77 0.82 -0.77 2.37 5.08 -0.95 -0.31 114.58 121.59 1cm5 h GLU 119 Ca 0.12 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1cm5 h GLU 119 Cb 0.67 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1cm5 h GLU 119 CO 0.05 0.77 0.45 0.78 -1.00 0.00 0.00 179.01 180.06 1cm5 h GLY 120 N 0.72 1.12 0.88 -3.84 0.00 -0.93 -1.51 103.07 99.52 1cm5 h GLY 120 Ca 0.17 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1cm5 h GLY 120 CO -0.00 0.46 0.07 1.76 0.00 0.00 0.00 176.54 178.83 1cm5 h SER 121 N 1.05 0.39 -0.47 0.19 0.02 -0.92 -0.57 113.55 113.24 1cm5 h SER 121 Ca 0.27 -0.22 0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1cm5 h SER 121 Cb -0.02 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.37 1cm5 h SER 121 CO -0.05 0.51 0.19 0.00 -1.14 0.00 0.00 176.83 176.34 1cm5 h LYS 123 N 0.38 0.54 -0.36 0.00 1.57 -1.16 0.29 116.57 117.84 1cm5 h LYS 123 Ca 0.22 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.58 1cm5 h LYS 123 Cb 0.19 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1cm5 h LYS 123 CO -0.20 0.94 -0.11 0.00 -0.57 0.00 0.00 179.45 179.51 1cm5 h ALA 124 N 0.99 1.15 -0.61 3.86 0.00 -0.58 -3.04 119.26 121.03 1cm5 h ALA 124 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1cm5 h ALA 124 Cb 1.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1cm5 h ALA 124 CO 0.10 0.54 0.00 0.66 0.00 0.00 0.00 179.25 180.55 1cm5 n TYR 125 N -4.19 1.18 -3.34 0.00 0.53 -0.16 -4.99 117.16 106.20 1cm5 n TYR 125 Ca 0.01 -0.58 -0.16 0.00 -1.02 0.00 0.00 57.90 56.14 1cm5 n TYR 125 Cb 0.33 -0.15 0.07 0.00 -1.03 0.00 0.00 39.34 38.57 1cm5 n TYR 125 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 1cm5 n ASN 126 N 1.09 -5.03 -4.02 7.72 5.15 -0.70 -5.04 115.26 114.44 1cm5 n ASN 126 Ca 0.23 -0.70 -0.12 0.00 -0.60 0.00 0.00 54.58 53.39 1cm5 n ASN 126 Cb 0.76 -5.08 -0.12 0.00 -0.53 0.00 0.00 39.78 34.81 1cm5 n ASN 126 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1cm5 s ARG 127 N -4.80 0.44 -0.30 1.20 1.81 0.01 -5.04 118.95 112.27 1cm5 s ARG 127 Ca 0.31 -0.62 -0.15 0.00 -1.72 0.00 0.00 55.73 53.55 1cm5 s ARG 127 Cb -0.04 -0.20 -0.03 0.00 -0.45 0.00 0.00 34.95 34.23 1cm5 s ARG 127 CO 0.74 0.03 0.37 -1.21 -0.68 0.00 0.00 175.30 174.56 1cm5 s GLU 128 N -1.30 3.85 0.20 3.54 2.02 -1.26 -4.21 118.70 121.55 1cm5 s GLU 128 Ca -0.09 -0.12 -0.30 0.00 0.02 0.00 0.00 54.97 54.47 1cm5 s GLU 128 Cb -0.09 -3.71 -0.08 0.00 0.10 0.00 0.00 34.13 30.35 1cm5 s GLU 128 CO -0.00 -0.37 1.26 -1.17 0.02 0.00 0.00 175.26 174.99 1cm5 s LEU 129 N 2.07 4.43 0.15 1.80 2.96 -1.26 -4.85 118.68 123.99 1cm5 s LEU 129 Ca 0.14 2.33 -0.31 0.00 -0.22 0.00 0.00 54.13 56.07 1cm5 s LEU 129 Cb -0.16 -3.61 -0.10 0.00 0.50 0.00 0.00 46.19 42.82 1cm5 s LEU 129 CO 0.11 -0.45 1.55 -0.62 -1.32 0.00 0.00 176.35 175.62 1cm5 s ASP 130 N 0.20 6.61 0.37 3.68 -1.08 -0.21 -4.91 116.67 121.33 1cm5 s ASP 130 Ca 0.54 2.58 0.06 0.00 -0.52 0.00 0.00 52.55 55.21 1cm5 s ASP 130 Cb -0.35 -2.59 0.76 0.00 -1.46 0.00 0.00 42.92 39.28 1cm5 s ASP 130 CO 0.38 -0.81 1.99 1.55 0.52 0.00 0.00 175.17 178.81 1cm5 h PRO 131 N 6.88 0.70 -0.69 4.34 0.13 -1.93 -2.56 132.00 138.87 1cm5 h PRO 131 Ca -0.43 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 1cm5 h PRO 131 Cb 1.20 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 1cm5 h PRO 131 CO 0.91 0.46 0.22 1.98 -0.23 0.00 0.00 178.00 181.34 1cm5 h MET 132 N 0.72 1.07 -0.46 0.86 4.05 -1.97 -0.83 114.93 118.36 1cm5 h MET 132 Ca 0.26 -0.23 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 1cm5 h MET 132 Cb 0.12 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 1cm5 h MET 132 CO -0.07 0.92 0.22 0.82 0.23 0.00 0.00 176.91 179.03 1cm5 h ILE 133 N 1.01 1.19 -0.63 1.77 1.08 -1.81 -1.38 117.51 118.73 1cm5 h ILE 133 Ca 0.22 -0.54 -0.01 0.00 -0.39 0.00 0.00 64.86 64.15 1cm5 h ILE 133 Cb 0.29 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 34.70 1cm5 h ILE 133 CO -0.01 0.21 0.37 0.50 -0.69 0.00 0.00 178.15 178.53 1cm5 h LYS 134 N 0.60 0.87 -0.13 2.37 3.64 -1.20 -2.28 116.57 120.43 1cm5 h LYS 134 Ca 0.16 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1cm5 h LYS 134 Cb 0.13 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1cm5 h LYS 134 CO -0.02 0.64 0.06 -0.22 -2.27 0.00 0.00 179.45 177.64 1cm5 h LYS 135 N 0.86 0.20 -0.28 1.90 3.64 -0.88 -2.85 116.57 119.15 1cm5 h LYS 135 Ca 0.23 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.62 1cm5 h LYS 135 Cb 0.00 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 1cm5 h LYS 135 CO -0.04 0.26 0.03 0.82 -2.27 0.00 0.00 179.45 178.25 1cm5 h ILE 136 N 0.08 0.83 -0.30 2.00 2.04 -1.08 -1.09 117.51 120.00 1cm5 h ILE 136 Ca 0.05 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1cm5 h ILE 136 Cb 0.13 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1cm5 h ILE 136 CO -0.01 0.02 0.06 0.49 0.00 0.00 0.00 178.15 178.72 1cm5 n PHE 137 N -5.12 1.05 0.00 1.37 3.01 -0.87 -0.94 117.46 115.96 1cm5 n PHE 137 Ca -0.00 -0.50 0.00 0.00 1.01 0.00 0.00 57.45 57.96 1cm5 n PHE 137 Cb 0.13 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.25 1cm5 n PHE 137 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1cm5 n THR 138 N 0.17 0.00 -0.02 4.37 -2.24 -1.04 -4.48 114.28 111.04 1cm5 n THR 138 Ca 0.16 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.91 1cm5 n THR 138 Cb 0.76 -0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 1cm5 n THR 138 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1cm5 n GLU 139 N -1.15 2.06 -0.13 -0.78 1.02 -0.44 -4.90 120.64 116.32 1cm5 n GLU 139 Ca 0.00 0.01 -0.28 0.00 -0.02 0.00 0.00 57.16 56.87 1cm5 n GLU 139 Cb 0.21 -1.11 -0.10 0.00 -0.02 0.00 0.00 31.44 30.41 1cm5 n GLU 139 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1cm5 n TYR 140 N -2.36 0.21 -3.76 -0.32 4.01 -0.60 -4.87 117.16 109.47 1cm5 n TYR 140 Ca -0.08 0.09 -0.37 0.00 -0.16 0.00 0.00 57.90 57.38 1cm5 n TYR 140 Cb 0.63 -1.02 -0.12 0.00 -0.31 0.00 0.00 39.34 38.52 1cm5 n TYR 140 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1cm5 s ARG 141 N -2.48 2.25 0.45 -0.72 6.06 -0.12 -5.04 118.95 119.35 1cm5 s ARG 141 Ca -0.37 -1.61 -0.25 0.00 -2.50 0.00 0.00 55.73 51.00 1cm5 s ARG 141 Cb 0.13 -3.55 -0.08 0.00 0.06 0.00 0.00 34.95 31.51 1cm5 s ARG 141 CO 0.51 -0.95 1.35 0.21 -2.50 0.00 0.00 175.30 173.92 1cm5 s LYS 142 N 1.24 3.72 0.43 5.12 2.20 -1.26 -4.31 119.74 126.88 1cm5 s LYS 142 Ca 0.04 2.24 0.07 0.00 -0.36 0.00 0.00 55.97 57.97 1cm5 s LYS 142 Cb -0.22 -2.62 -0.02 0.00 -1.51 0.00 0.00 37.83 33.46 1cm5 s LYS 142 CO -0.02 -0.72 0.35 0.95 -0.36 0.00 0.00 175.35 175.55 1cm5 s THR 143 N -1.26 2.51 0.12 3.43 -4.23 -1.26 -4.94 115.64 110.01 1cm5 s THR 143 Ca 0.61 -1.41 -0.20 0.00 -1.18 0.00 0.00 61.69 59.51 1cm5 s THR 143 Cb -0.40 -2.92 -0.08 0.00 1.34 0.00 0.00 72.50 70.44 1cm5 s THR 143 CO 0.51 0.00 1.75 -0.74 -0.54 0.00 0.00 174.62 175.59 1cm5 h HIS 144 N 1.06 0.10 -0.77 3.99 2.76 -1.45 -1.59 115.15 119.25 1cm5 h HIS 144 Ca -0.41 0.01 0.10 0.00 -2.20 0.00 0.00 60.37 57.86 1cm5 h HIS 144 Cb 1.27 -0.02 -0.07 0.00 1.55 0.00 0.00 27.41 30.13 1cm5 h HIS 144 CO 0.57 0.05 0.41 -0.97 -1.30 0.00 0.00 177.93 176.69 1cm5 h ASN 145 N 0.13 0.57 0.17 3.26 -0.73 -1.34 -1.16 115.58 116.48 1cm5 h ASN 145 Ca 0.06 0.06 -0.16 0.00 1.87 0.00 0.00 56.30 58.13 1cm5 h ASN 145 Cb 0.03 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.57 1cm5 h ASN 145 CO -0.06 0.32 -0.61 1.56 -0.37 0.00 0.00 177.43 178.27 1cm5 h GLN 146 N 0.69 0.43 -0.43 6.67 4.20 -1.79 -2.60 115.11 122.29 1cm5 h GLN 146 Ca 0.38 -0.30 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 1cm5 h GLN 146 Cb 0.38 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1cm5 h GLN 146 CO -0.26 0.91 -0.06 0.78 -0.67 0.00 0.00 178.83 179.53 1cm5 h GLY 147 N 1.22 0.86 0.81 3.46 0.00 -0.55 -2.59 103.07 106.27 1cm5 h GLY 147 Ca -0.01 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 1cm5 h GLY 147 CO 0.11 0.62 -0.20 -2.08 0.00 0.00 0.00 176.54 174.99 1cm5 h VAL 148 N 0.62 0.57 0.00 4.60 2.07 -1.23 -2.98 116.25 119.91 1cm5 h VAL 148 Ca 0.11 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1cm5 h VAL 148 Cb 0.58 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1cm5 h VAL 148 CO 0.03 0.06 0.00 0.49 0.02 0.00 0.00 177.57 178.17 1cm5 n PHE 149 N -5.25 0.78 0.15 1.57 3.01 -0.98 -1.18 117.46 115.56 1cm5 n PHE 149 Ca -0.11 0.37 0.04 0.00 1.01 0.00 0.00 57.45 58.76 1cm5 n PHE 149 Cb 0.28 -1.10 0.04 0.00 -0.01 0.00 0.00 39.48 38.69 1cm5 n PHE 149 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1cm5 h ASP 150 N 0.00 0.00 0.00 4.37 3.45 -1.30 -3.34 116.42 119.60 1cm5 h ASP 150 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1cm5 h ASP 150 Cb 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 1cm5 h ASP 150 CO 0.00 0.44 -1.12 0.52 -1.57 0.00 0.00 179.24 177.51 1cm5 n VAL 151 N -3.21 0.00 -1.50 -1.35 0.31 -0.35 -5.03 118.33 107.21 1cm5 n VAL 151 Ca 0.02 -0.25 -0.37 0.00 -0.01 0.00 0.00 64.34 63.73 1cm5 n VAL 151 Cb 0.71 0.60 0.07 0.00 -0.91 0.00 0.00 33.84 34.30 1cm5 n VAL 151 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1cm5 n TYR 152 N -1.64 0.61 -3.56 3.52 4.01 -0.32 -5.02 117.16 114.76 1cm5 n TYR 152 Ca 0.00 0.41 -0.24 0.00 -0.16 0.00 0.00 57.90 57.91 1cm5 n TYR 152 Cb 0.28 -2.09 -0.02 0.00 -0.31 0.00 0.00 39.34 37.20 1cm5 n TYR 152 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1cm5 s THR 153 N -1.66 5.15 0.30 -0.72 -4.23 -1.26 -4.99 115.64 108.24 1cm5 s THR 153 Ca 0.75 -0.55 0.33 0.00 -1.18 0.00 0.00 61.69 61.04 1cm5 s THR 153 Cb -0.38 -3.84 0.36 0.00 1.34 0.00 0.00 72.50 69.98 1cm5 s THR 153 CO 0.49 -0.44 2.07 1.55 -0.54 0.00 0.00 174.62 177.75 1cm5 h PRO 154 N 1.08 0.00 -0.28 3.99 0.13 -1.99 -2.39 132.00 132.53 1cm5 h PRO 154 Ca -0.50 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 1cm5 h PRO 154 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1cm5 h PRO 154 CO 0.62 0.06 -0.08 -0.44 -0.23 0.00 0.00 178.00 177.94 1cm5 h ASP 155 N 0.00 0.55 -0.76 1.44 3.32 -1.97 -1.06 116.42 117.94 1cm5 h ASP 155 Ca -0.00 -0.37 -0.06 0.00 0.02 0.00 0.00 57.03 56.62 1cm5 h ASP 155 Cb 0.39 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1cm5 h ASP 155 CO 0.01 0.80 0.25 0.40 -1.72 0.00 0.00 179.24 178.97 1cm5 h ILE 156 N 0.30 1.26 -0.70 0.35 2.04 -1.87 -1.56 117.51 117.34 1cm5 h ILE 156 Ca 0.07 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 1cm5 h ILE 156 Cb 0.56 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1cm5 h ILE 156 CO 0.03 0.36 0.36 -0.07 0.00 0.00 0.00 178.15 178.83 1cm5 h LEU 157 N 1.12 0.90 -0.51 1.44 3.38 -1.23 -0.70 115.31 119.72 1cm5 h LEU 157 Ca 0.24 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1cm5 h LEU 157 Cb 0.30 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1cm5 h LEU 157 CO -0.01 0.76 0.25 0.03 0.09 0.00 0.00 178.44 179.56 1cm5 h ARG 158 N 0.97 0.73 -0.53 1.13 3.08 -0.90 -1.57 114.38 117.29 1cm5 h ARG 158 Ca 0.24 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 1cm5 h ARG 158 Cb 0.08 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1cm5 h ARG 158 CO -0.03 0.60 0.15 0.00 -1.07 0.00 0.00 179.97 179.62 1cm5 h ARG 160 N 0.77 0.40 -0.32 0.00 2.43 -0.74 -2.08 114.38 114.85 1cm5 h ARG 160 Ca 0.18 -0.09 -0.16 0.00 -0.81 0.00 0.00 59.98 59.10 1cm5 h ARG 160 Cb 0.24 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1cm5 h ARG 160 CO -0.01 0.47 -0.44 -0.22 -1.51 0.00 0.00 179.97 178.26 1cm5 h LYS 161 N 0.26 0.82 0.00 0.20 3.64 -1.06 -3.23 116.57 117.20 1cm5 h LYS 161 Ca 0.08 -0.46 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 1cm5 h LYS 161 Cb 0.23 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1cm5 h LYS 161 CO -0.00 1.09 -0.04 0.66 -2.27 0.00 0.00 179.45 178.89 1cm5 h SER 162 N 0.66 0.00 0.00 4.20 4.64 -1.01 -3.47 113.55 118.57 1cm5 h SER 162 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1cm5 h SER 162 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1cm5 h SER 162 CO 0.10 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 1cm5 n GLY 163 N 0.69 1.28 0.09 -0.77 0.00 -0.91 -4.89 105.19 100.68 1cm5 n GLY 163 Ca 0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 1cm5 n GLY 163 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1cm5 n VAL 164 N -1.98 1.24 -3.40 1.61 3.14 -0.83 -4.72 118.33 113.39 1cm5 n VAL 164 Ca 0.00 -0.79 -0.24 0.00 -2.96 0.00 0.00 64.34 60.35 1cm5 n VAL 164 Cb 0.08 -0.47 -0.10 0.00 -1.06 0.00 0.00 33.84 32.29 1cm5 n VAL 164 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1cm5 s LEU 165 N -5.35 0.59 0.05 6.55 1.43 -1.00 -1.14 118.68 119.80 1cm5 s LEU 165 Ca -0.09 -2.05 0.04 0.00 -1.03 0.00 0.00 54.13 51.00 1cm5 s LEU 165 Cb 0.06 -0.01 -0.02 0.00 0.03 0.00 0.00 46.19 46.25 1cm5 s LEU 165 CO 0.78 -0.27 -0.12 -0.89 0.23 0.00 0.00 176.35 176.08 1cm5 s THR 166 N 1.09 0.89 0.00 5.49 2.01 -1.26 -2.92 115.64 120.94 1cm5 s THR 166 Ca 0.19 -1.09 0.00 0.00 0.31 0.00 0.00 61.69 61.10 1cm5 s THR 166 Cb -0.17 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.47 1cm5 s THR 166 CO -0.02 -0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.32 1cm5 n GLY 167 N 1.59 0.51 3.75 4.40 0.00 -1.26 -4.74 105.19 109.44 1cm5 n GLY 167 Ca -0.20 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 1cm5 n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cm5 s LEU 168 N 0.00 3.20 -0.65 0.99 1.02 -1.26 -4.82 118.68 117.15 1cm5 s LEU 168 Ca 0.00 2.00 -0.04 0.00 0.02 0.00 0.00 54.13 56.10 1cm5 s LEU 168 Cb 0.00 -4.55 -0.05 0.00 0.02 0.00 0.00 46.19 41.62 1cm5 s LEU 168 CO 0.00 -2.00 1.86 -0.81 0.02 0.00 0.00 176.35 175.43 1cm5 n PRO 169 N -3.04 1.56 0.00 1.29 -0.04 -1.26 -4.10 135.00 129.41 1cm5 n PRO 169 Ca 0.10 -1.17 0.07 0.00 -0.04 0.00 0.00 63.50 62.47 1cm5 n PRO 169 Cb 0.52 -2.29 0.02 0.00 -0.04 0.00 0.00 33.50 31.70 1cm5 n PRO 169 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1cm5 n ASP 170 N 4.23 1.74 -0.65 3.54 3.85 -1.26 -4.54 116.55 123.46 1cm5 n ASP 170 Ca 0.33 -1.37 0.02 0.00 -0.71 0.00 0.00 54.79 53.06 1cm5 n ASP 170 Cb 0.13 0.34 0.02 0.00 -1.35 0.00 0.00 41.12 40.26 1cm5 n ASP 170 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1cm5 n ALA 171 N 0.12 2.12 -3.53 2.12 0.00 -1.26 -4.17 120.51 115.91 1cm5 n ALA 171 Ca 0.07 -1.41 -0.08 0.00 0.00 0.00 0.00 53.44 52.01 1cm5 n ALA 171 Cb 0.33 -0.53 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 1cm5 n ALA 171 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1cm5 s TYR 172 N -0.29 -0.32 0.29 0.00 -0.85 -1.26 -4.92 117.35 109.99 1cm5 s TYR 172 Ca 0.09 0.26 -0.30 0.00 -0.52 0.00 0.00 57.07 56.60 1cm5 s TYR 172 Cb 0.10 0.52 -0.12 0.00 0.38 0.00 0.00 41.96 42.84 1cm5 s TYR 172 CO -0.03 -0.47 1.43 0.41 -1.52 0.00 0.00 175.55 175.37 1cm5 n GLY 173 N -0.08 0.90 0.25 5.49 0.00 -1.20 -4.81 105.19 105.74 1cm5 n GLY 173 Ca -0.08 0.43 -0.03 0.00 0.00 0.00 0.00 46.02 46.34 1cm5 n GLY 173 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1cm5 h ARG 174 N 3.83 0.51 0.00 1.61 0.11 -1.87 -1.88 114.38 116.69 1cm5 h ARG 174 Ca -0.46 -0.17 0.00 0.00 0.10 0.00 0.00 59.98 59.45 1cm5 h ARG 174 Cb 1.26 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.30 1cm5 h ARG 174 CO 0.72 0.68 0.00 0.41 0.10 0.00 0.00 179.97 181.88 1cm5 n GLY 175 N -0.47 2.36 2.41 0.08 0.00 -1.26 -4.31 105.19 104.00 1cm5 n GLY 175 Ca 0.00 -0.48 -0.19 0.00 0.00 0.00 0.00 46.02 45.35 1cm5 n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cm5 n ARG 176 N 11.74 -1.79 -4.54 1.61 5.12 -1.20 -4.69 116.66 122.92 1cm5 n ARG 176 Ca 0.00 0.93 -0.24 0.00 -1.93 0.00 0.00 57.85 56.61 1cm5 n ARG 176 Cb 0.00 -5.57 -0.17 0.00 -1.16 0.00 0.00 32.46 25.57 1cm5 n ARG 176 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1cm5 s ILE 177 N -2.93 1.06 -0.30 0.55 1.01 -1.26 -2.61 121.20 116.72 1cm5 s ILE 177 Ca 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.24 1cm5 s ILE 177 Cb 0.00 -0.98 0.08 0.00 0.01 0.00 0.00 42.46 41.58 1cm5 s ILE 177 CO 0.00 0.34 0.01 -0.63 0.00 0.00 0.00 174.94 174.65 1cm5 s ILE 178 N 0.68 1.90 0.50 2.92 1.01 -1.26 -4.50 121.20 122.44 1cm5 s ILE 178 Ca -0.14 -1.85 -0.21 0.00 0.00 0.00 0.00 60.65 58.45 1cm5 s ILE 178 Cb -0.15 -2.28 -0.07 0.00 0.01 0.00 0.00 42.46 39.96 1cm5 s ILE 178 CO 0.03 -0.40 1.09 -0.83 0.00 0.00 0.00 174.94 174.83 1cm5 s GLY 179 N 1.14 2.61 -1.01 6.18 0.00 -1.26 -4.23 107.32 110.75 1cm5 s GLY 179 Ca 0.04 0.74 -0.22 0.00 0.00 0.00 0.00 44.72 45.27 1cm5 s GLY 179 CO -0.10 1.10 1.41 -0.35 0.00 0.00 0.00 173.10 175.16 1cm5 s ASP 180 N -1.78 6.53 0.59 1.64 -1.08 -0.45 -4.79 116.67 117.33 1cm5 s ASP 180 Ca 0.68 -1.58 0.37 0.00 -0.52 0.00 0.00 52.55 51.51 1cm5 s ASP 180 Cb -0.21 -2.54 1.76 0.00 -1.46 0.00 0.00 42.92 40.46 1cm5 s ASP 180 CO 0.25 -1.43 2.13 1.88 0.52 0.00 0.00 175.17 178.52 1cm5 h TYR 181 N 9.58 0.00 0.00 -5.34 -1.99 -1.86 -2.18 116.97 115.18 1cm5 h TYR 181 Ca 0.20 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.91 1cm5 h TYR 181 Cb 1.01 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.73 1cm5 h TYR 181 CO 1.26 0.01 -0.12 0.00 -0.00 0.00 0.00 178.16 179.32 1cm5 h ARG 182 N 0.00 0.00 -0.69 4.88 3.08 -1.86 -2.54 114.38 117.25 1cm5 h ARG 182 Ca -0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1cm5 h ARG 182 Cb 0.32 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 1cm5 h ARG 182 CO 0.00 0.12 0.45 0.00 -1.07 0.00 0.00 179.97 179.47 1cm5 h ARG 183 N 0.00 0.64 -0.50 0.04 3.08 -1.78 -1.24 114.38 114.62 1cm5 h ARG 183 Ca -0.00 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1cm5 h ARG 183 Cb 0.22 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1cm5 h ARG 183 CO 0.02 0.42 0.16 0.28 -1.07 0.00 0.00 179.97 179.78 1cm5 h VAL 184 N 0.66 1.23 -0.07 2.04 2.07 -1.65 -0.84 116.25 119.68 1cm5 h VAL 184 Ca 0.30 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1cm5 h VAL 184 Cb 0.34 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1cm5 h VAL 184 CO -0.10 0.27 -0.00 0.00 0.02 0.00 0.00 177.57 177.76 1cm5 h ALA 185 N 1.02 0.10 0.06 1.67 0.00 -1.47 -0.50 119.26 120.14 1cm5 h ALA 185 Ca 0.16 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1cm5 h ALA 185 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1cm5 h ALA 185 CO -0.01 -0.21 -0.03 1.25 0.00 0.00 0.00 179.25 180.26 1cm5 h LEU 186 N -0.17 -0.07 0.00 0.00 6.46 -1.21 -0.56 115.31 119.77 1cm5 h LEU 186 Ca 0.02 -0.22 -0.08 0.00 -0.12 0.00 0.00 57.88 57.48 1cm5 h LEU 186 Cb 0.36 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1cm5 h LEU 186 CO 0.00 0.19 -1.90 -1.22 -0.62 0.00 0.00 178.44 174.89 1cm5 n TYR 187 N -5.01 0.00 0.00 1.25 4.02 -0.33 -4.65 117.16 112.44 1cm5 n TYR 187 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1cm5 n TYR 187 Cb 0.16 -0.51 0.00 0.00 -0.02 0.00 0.00 39.34 38.97 1cm5 n TYR 187 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1cm5 n GLY 188 N 1.62 -1.57 0.06 2.72 0.00 -0.20 -3.85 105.19 103.97 1cm5 n GLY 188 Ca -0.09 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 1cm5 n GLY 188 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1cm5 h ILE 189 N 0.00 1.04 -0.66 -0.61 1.08 -1.12 -3.07 117.51 114.17 1cm5 h ILE 189 Ca 0.00 -0.11 0.13 0.00 -0.39 0.00 0.00 64.86 64.48 1cm5 h ILE 189 Cb 0.00 1.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.66 1cm5 h ILE 189 CO 0.00 0.04 0.17 0.44 -0.69 0.00 0.00 178.15 178.11 1cm5 h ASP 190 N 0.06 0.05 -0.73 1.72 5.19 -1.55 0.09 116.42 121.25 1cm5 h ASP 190 Ca 0.02 0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.53 1cm5 h ASP 190 Cb 0.03 0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.66 1cm5 h ASP 190 CO -0.00 0.01 0.37 0.22 -3.12 0.00 0.00 179.24 176.72 1cm5 h TYR 191 N 0.29 1.03 -0.51 4.55 5.03 -1.73 -1.72 116.97 123.92 1cm5 h TYR 191 Ca 0.36 -0.04 -0.08 0.00 2.58 0.00 0.00 58.73 61.55 1cm5 h TYR 191 Cb 0.55 -0.32 -0.02 0.00 1.55 0.00 0.00 36.73 38.48 1cm5 h TYR 191 CO -0.24 0.75 -0.00 -0.07 -1.32 0.00 0.00 178.16 177.28 1cm5 h LEU 192 N 1.02 0.83 -0.61 2.82 3.38 -1.09 -1.83 115.31 119.83 1cm5 h LEU 192 Ca 0.25 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1cm5 h LEU 192 Cb 0.08 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1cm5 h LEU 192 CO -0.04 0.89 0.06 0.24 0.09 0.00 0.00 178.44 179.69 1cm5 h MET 193 N 0.80 1.03 -0.42 1.13 2.86 -0.63 -0.36 114.93 119.34 1cm5 h MET 193 Ca 0.15 -0.30 -0.08 0.00 -2.06 0.00 0.00 59.70 57.41 1cm5 h MET 193 Cb 0.48 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1cm5 h MET 193 CO 0.02 0.99 -0.06 -0.22 1.06 0.00 0.00 176.91 178.70 1cm5 h LYS 194 N 0.93 0.72 -0.47 1.72 3.64 -1.14 0.16 116.57 122.14 1cm5 h LYS 194 Ca 0.18 -0.21 -0.13 0.00 -1.27 0.00 0.00 60.65 59.22 1cm5 h LYS 194 Cb 0.48 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1cm5 h LYS 194 CO 0.02 0.78 -0.23 0.22 -2.27 0.00 0.00 179.45 177.97 1cm5 h ASP 195 N 0.66 0.99 -0.48 4.20 1.82 -0.97 -2.39 116.42 120.25 1cm5 h ASP 195 Ca 0.12 -0.38 -0.10 0.00 -0.39 0.00 0.00 57.03 56.28 1cm5 h ASP 195 Cb 0.50 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 40.22 1cm5 h ASP 195 CO 0.03 1.16 -0.09 0.11 -1.61 0.00 0.00 179.24 178.84 1cm5 h LYS 196 N 0.83 0.95 -0.83 0.28 1.79 -0.51 -1.83 116.57 117.24 1cm5 h LYS 196 Ca 0.11 -0.33 0.01 0.00 -2.18 0.00 0.00 60.65 58.25 1cm5 h LYS 196 Cb 0.80 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 31.33 1cm5 h LYS 196 CO 0.07 0.99 0.55 1.25 -1.08 0.00 0.00 179.45 181.23 1cm5 h LEU 197 N 0.85 0.96 -0.53 2.94 5.85 -0.82 0.78 115.31 125.34 1cm5 h LEU 197 Ca 0.14 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 1cm5 h LEU 197 Cb 0.63 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1cm5 h LEU 197 CO 0.04 0.70 -0.05 0.00 -0.34 0.00 0.00 178.44 178.79 1cm5 h ALA 198 N 1.48 0.72 -0.77 1.25 0.00 -1.06 -1.04 119.26 119.84 1cm5 h ALA 198 Ca 0.30 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1cm5 h ALA 198 Cb -0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1cm5 h ALA 198 CO -0.07 0.59 0.36 1.96 0.00 0.00 0.00 179.25 182.09 1cm5 h GLN 199 N 0.85 1.12 -0.00 0.00 4.20 -0.42 -0.80 115.11 120.05 1cm5 h GLN 199 Ca 0.14 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1cm5 h GLN 199 Cb 0.60 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 1cm5 h GLN 199 CO 0.04 0.88 0.00 0.35 -0.67 0.00 0.00 178.83 179.43 1cm5 h PHE 200 N 1.09 0.01 0.00 2.96 3.57 -0.54 -2.72 116.94 121.31 1cm5 h PHE 200 Ca 0.26 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 1cm5 h PHE 200 Cb 0.14 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 1cm5 h PHE 200 CO 0.01 0.04 -0.16 1.15 -2.23 0.00 0.00 178.31 177.12 1cm5 h THR 201 N -0.03 1.06 0.00 4.41 2.02 -0.92 -2.46 112.91 116.99 1cm5 h THR 201 Ca 0.00 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.63 1cm5 h THR 201 Cb 0.04 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1cm5 h THR 201 CO -0.00 0.16 0.00 -1.54 0.37 0.00 0.00 175.52 174.51 1cm5 n SER 202 N -4.27 0.44 -0.09 4.18 3.41 -0.33 -2.04 113.62 114.93 1cm5 n SER 202 Ca -0.02 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.33 1cm5 n SER 202 Cb 0.23 -0.72 0.06 0.00 -0.26 0.00 0.00 64.21 63.52 1cm5 n SER 202 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1cm5 n LEU 203 N -2.01 0.98 -0.07 1.04 4.77 -0.93 -4.49 117.00 116.30 1cm5 n LEU 203 Ca 0.02 -0.36 -0.07 0.00 -0.03 0.00 0.00 56.01 55.56 1cm5 n LEU 203 Cb 0.16 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1cm5 n LEU 203 CO 0.15 0.22 0.87 -0.61 -1.33 0.00 0.00 177.39 176.70 1cm5 h GLN 204 N 0.43 0.11 -0.22 3.23 4.15 -1.53 -2.27 115.11 119.01 1cm5 h GLN 204 Ca 0.00 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.47 1cm5 h GLN 204 Cb 0.53 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.13 1cm5 h GLN 204 CO 0.00 0.07 -0.24 0.00 -1.93 0.00 0.00 178.83 176.73 1cm5 h ALA 205 N 1.22 -0.14 -1.00 3.38 0.00 -1.79 -0.42 119.26 120.51 1cm5 h ALA 205 Ca 0.13 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1cm5 h ALA 205 Cb 0.15 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1cm5 h ALA 205 CO -0.19 -0.67 0.66 -0.44 0.00 0.00 0.00 179.25 178.61 1cm5 h ASP 206 N -0.26 1.13 0.45 0.00 3.45 -1.82 -0.38 116.42 119.00 1cm5 h ASP 206 Ca 0.13 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.55 1cm5 h ASP 206 Cb 0.45 -0.28 -0.00 0.00 -0.56 0.00 0.00 39.33 38.94 1cm5 h ASP 206 CO -0.37 0.81 -0.28 0.25 -1.57 0.00 0.00 179.24 178.08 1cm5 h LEU 207 N 1.33 -0.69 -1.20 1.55 5.85 -0.73 -0.77 115.31 120.65 1cm5 h LEU 207 Ca 0.38 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.14 1cm5 h LEU 207 Cb -0.11 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1cm5 h LEU 207 CO -0.09 -0.44 0.50 -0.33 -0.34 0.00 0.00 178.44 177.73 1cm5 h GLU 208 N -0.69 1.03 -0.02 1.25 5.08 -0.82 -2.27 114.58 118.14 1cm5 h GLU 208 Ca -0.05 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1cm5 h GLU 208 Cb 0.57 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1cm5 h GLU 208 CO 0.05 0.70 0.00 0.09 -1.00 0.00 0.00 179.01 178.85 1cm5 n ASN 209 N -4.40 0.52 -1.99 1.42 3.02 -0.18 -4.93 115.26 108.72 1cm5 n ASN 209 Ca 0.08 -1.26 -0.16 0.00 -0.03 0.00 0.00 54.58 53.21 1cm5 n ASN 209 Cb 0.04 -0.01 0.01 0.00 -0.61 0.00 0.00 39.78 39.21 1cm5 n ASN 209 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cm5 n GLY 210 N 1.02 -0.26 3.58 7.41 0.00 -0.53 -4.98 105.19 111.42 1cm5 n GLY 210 Ca 0.20 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1cm5 n GLY 210 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cm5 s VAL 211 N -2.87 4.94 -1.39 1.61 1.01 -0.41 -4.15 120.40 119.15 1cm5 s VAL 211 Ca 0.08 0.61 -0.01 0.00 0.00 0.00 0.00 61.98 62.66 1cm5 s VAL 211 Cb -0.04 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.33 1cm5 s VAL 211 CO 0.10 -0.23 0.52 0.59 0.00 0.00 0.00 175.10 176.09 1cm5 n ASN 212 N 5.91 -0.74 -0.24 3.32 3.02 -1.26 -4.64 115.26 120.62 1cm5 n ASN 212 Ca -0.02 -0.94 -0.06 0.00 -0.03 0.00 0.00 54.58 53.52 1cm5 n ASN 212 Cb 0.49 -3.37 -0.06 0.00 -0.61 0.00 0.00 39.78 36.23 1cm5 n ASN 212 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1cm5 n LEU 213 N -4.37 -0.61 -0.15 3.41 7.94 -1.26 -0.93 117.00 121.04 1cm5 n LEU 213 Ca -0.29 1.29 -0.03 0.00 -1.11 0.00 0.00 56.01 55.87 1cm5 n LEU 213 Cb 0.68 -0.27 0.18 0.00 0.53 0.00 0.00 43.42 44.54 1cm5 n LEU 213 CO 0.73 -0.96 0.99 -0.33 -1.11 0.00 0.00 177.39 176.71 1cm5 h GLU 214 N 0.00 0.86 -0.28 1.96 5.08 -1.96 -1.02 114.58 119.22 1cm5 h GLU 214 Ca 0.09 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 1cm5 h GLU 214 Cb 0.23 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1cm5 h GLU 214 CO -0.54 0.76 -0.26 1.96 -1.00 0.00 0.00 179.01 179.93 1cm5 h GLN 215 N 0.84 0.56 -0.19 2.33 7.50 -1.73 -0.86 115.11 123.55 1cm5 h GLN 215 Ca 0.19 -0.22 -0.11 0.00 0.50 0.00 0.00 58.65 59.01 1cm5 h GLN 215 Cb 0.27 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 27.77 1cm5 h GLN 215 CO -0.01 0.77 -0.31 1.15 -1.50 0.00 0.00 178.83 178.93 1cm5 h THR 216 N 0.49 1.34 -0.63 -0.54 2.02 -0.61 -1.47 112.91 113.50 1cm5 h THR 216 Ca 0.07 -1.54 -0.04 0.00 0.77 0.00 0.00 66.41 65.67 1cm5 h THR 216 Cb 0.71 1.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.96 1cm5 h THR 216 CO 0.05 0.47 0.24 0.40 0.37 0.00 0.00 175.52 177.06 1cm5 h ILE 217 N 0.21 1.24 -0.16 3.11 2.04 -1.08 -0.68 117.51 122.18 1cm5 h ILE 217 Ca 0.01 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 1cm5 h ILE 217 Cb 0.90 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1cm5 h ILE 217 CO 0.07 0.29 0.10 -0.09 0.00 0.00 0.00 178.15 178.53 1cm5 h ARG 218 N 0.89 0.22 -0.69 2.37 2.43 -1.09 -1.80 114.38 116.71 1cm5 h ARG 218 Ca 0.21 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.30 1cm5 h ARG 218 Cb 0.22 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1cm5 h ARG 218 CO -0.02 0.18 0.20 1.25 -1.51 0.00 0.00 179.97 180.07 1cm5 h LEU 219 N 0.20 1.01 -0.38 3.80 5.85 -1.08 -1.44 115.31 123.27 1cm5 h LEU 219 Ca 0.06 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1cm5 h LEU 219 Cb 0.01 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1cm5 h LEU 219 CO -0.01 0.95 0.18 0.03 -0.34 0.00 0.00 178.44 179.25 1cm5 h ARG 220 N 1.03 0.54 -0.68 1.25 2.47 -0.85 -0.27 114.38 117.86 1cm5 h ARG 220 Ca 0.22 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 1cm5 h ARG 220 Cb 0.32 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.51 1cm5 h ARG 220 CO -0.00 0.48 0.37 1.49 0.56 0.00 0.00 179.97 182.87 1cm5 h GLU 221 N 0.47 0.96 -0.57 0.04 4.81 -1.09 -0.67 114.58 118.53 1cm5 h GLU 221 Ca 0.13 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1cm5 h GLU 221 Cb 0.12 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1cm5 h GLU 221 CO -0.02 0.72 0.36 0.93 -0.73 0.00 0.00 179.01 180.28 1cm5 h GLU 222 N 0.94 0.77 -0.30 1.92 5.08 -0.94 -0.46 114.58 121.58 1cm5 h GLU 222 Ca 0.24 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 1cm5 h GLU 222 Cb 0.05 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1cm5 h GLU 222 CO -0.04 0.54 -0.09 0.82 -1.00 0.00 0.00 179.01 179.24 1cm5 h ILE 223 N 0.78 1.22 -0.43 3.13 2.04 -0.64 0.41 117.51 124.02 1cm5 h ILE 223 Ca 0.21 -0.95 -0.10 0.00 1.00 0.00 0.00 64.86 65.02 1cm5 h ILE 223 Cb -0.05 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1cm5 h ILE 223 CO -0.04 0.31 -0.15 0.00 0.00 0.00 0.00 178.15 178.27 1cm5 h ALA 224 N 1.44 0.93 -0.31 1.87 0.00 -0.43 -0.16 119.26 122.61 1cm5 h ALA 224 Ca 0.09 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 1cm5 h ALA 224 Cb 0.44 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1cm5 h ALA 224 CO 0.02 0.62 -0.31 0.93 0.00 0.00 0.00 179.25 180.51 1cm5 h GLU 225 N 0.71 0.66 -0.17 0.00 4.39 -0.21 -1.75 114.58 118.22 1cm5 h GLU 225 Ca 0.11 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 1cm5 h GLU 225 Cb 0.65 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1cm5 h GLU 225 CO 0.05 0.89 0.05 1.96 -1.16 0.00 0.00 179.01 180.79 1cm5 h GLN 226 N 0.56 0.26 -0.41 2.33 4.20 -0.47 -0.39 115.11 121.19 1cm5 h GLN 226 Ca 0.07 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1cm5 h GLN 226 Cb 0.81 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 1cm5 h GLN 226 CO 0.07 0.39 0.22 1.25 -0.67 0.00 0.00 178.83 180.08 1cm5 h HIS 227 N 0.09 0.40 -0.75 2.96 2.76 -0.91 -0.75 115.15 118.94 1cm5 h HIS 227 Ca 0.05 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.21 1cm5 h HIS 227 Cb 0.24 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.04 1cm5 h HIS 227 CO 0.00 0.22 0.36 -0.09 -1.30 0.00 0.00 177.93 177.12 1cm5 h ARG 228 N 0.44 1.08 -0.68 5.26 2.43 -1.20 -2.52 114.38 119.19 1cm5 h ARG 228 Ca 0.17 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 1cm5 h ARG 228 Cb 0.06 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 1cm5 h ARG 228 CO -0.11 0.83 0.14 0.00 -1.51 0.00 0.00 179.97 179.32 1cm5 h ALA 229 N 1.32 0.95 -1.01 2.80 0.00 -0.19 -2.30 119.26 120.83 1cm5 h ALA 229 Ca 0.26 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1cm5 h ALA 229 Cb 0.11 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 1cm5 h ALA 229 CO -0.03 0.66 0.66 -0.07 0.00 0.00 0.00 179.25 180.47 1cm5 h LEU 230 N 1.04 1.11 -1.00 0.00 3.38 -0.74 -1.06 115.31 118.04 1cm5 h LEU 230 Ca 0.21 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 1cm5 h LEU 230 Cb 0.41 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1cm5 h LEU 230 CO 0.01 0.77 0.01 1.23 0.09 0.00 0.00 178.44 180.55 1cm5 h GLY 231 N 1.29 0.78 2.00 0.83 0.00 -1.21 -2.16 103.07 104.60 1cm5 h GLY 231 Ca 0.39 -0.50 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 1cm5 h GLY 231 CO -0.12 0.47 -0.34 1.46 0.00 0.00 0.00 176.54 178.01 1cm5 h GLN 232 N 0.69 0.00 -0.75 4.80 4.20 -0.69 -2.66 115.11 120.70 1cm5 h GLN 232 Ca 0.14 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1cm5 h GLN 232 Cb 0.41 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 1cm5 h GLN 232 CO 0.02 0.34 0.33 0.52 -0.67 0.00 0.00 178.83 179.36 1cm5 h MET 233 N 0.00 1.10 -0.42 1.46 2.86 -0.60 0.05 114.93 119.38 1cm5 h MET 233 Ca -0.00 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 1cm5 h MET 233 Cb 0.67 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1cm5 h MET 233 CO 0.04 0.88 0.19 0.87 1.06 0.00 0.00 176.91 179.95 1cm5 h LYS 234 N 1.06 0.61 -0.65 1.72 1.57 -1.39 -0.73 116.57 118.75 1cm5 h LYS 234 Ca 0.25 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1cm5 h LYS 234 Cb 0.16 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1cm5 h LYS 234 CO -0.03 0.55 0.34 0.93 -0.57 0.00 0.00 179.45 180.67 1cm5 h GLU 235 N 0.53 0.92 -0.09 3.15 5.08 -1.27 0.29 114.58 123.19 1cm5 h GLU 235 Ca 0.14 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1cm5 h GLU 235 Cb 0.15 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1cm5 h GLU 235 CO -0.02 0.71 0.06 1.98 -1.00 0.00 0.00 179.01 180.74 1cm5 h MET 236 N 0.89 0.12 -0.78 2.33 4.05 -0.70 -2.62 114.93 118.23 1cm5 h MET 236 Ca 0.23 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.59 1cm5 h MET 236 Cb 0.07 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.81 1cm5 h MET 236 CO -0.03 0.09 0.31 0.00 0.23 0.00 0.00 176.91 177.50 1cm5 h ALA 237 N 1.02 1.08 -0.25 0.39 0.00 -0.90 -2.48 119.26 118.13 1cm5 h ALA 237 Ca 0.03 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1cm5 h ALA 237 Cb -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1cm5 h ALA 237 CO -0.01 0.65 0.17 0.00 0.00 0.00 0.00 179.25 180.07 1cm5 h ALA 238 N 1.20 2.10 0.00 0.00 0.00 -0.64 0.10 119.26 122.02 1cm5 h ALA 238 Ca 0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1cm5 h ALA 238 Cb 0.22 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1cm5 h ALA 238 CO -0.02 -0.15 -0.08 0.87 0.00 0.00 0.00 179.25 179.87 1cm5 h LYS 239 N 0.11 0.00 -0.38 0.00 1.57 -1.08 0.26 116.57 117.05 1cm5 h LYS 239 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1cm5 h LYS 239 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1cm5 h LYS 239 CO -0.01 0.08 0.00 0.66 -0.57 0.00 0.00 179.45 179.61 1cm5 n TYR 240 N -3.77 0.49 -0.88 -1.35 4.02 0.31 -4.58 117.16 111.40 1cm5 n TYR 240 Ca -0.02 -0.25 0.00 0.00 -0.01 0.00 0.00 57.90 57.62 1cm5 n TYR 240 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 1cm5 n TYR 240 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1cm5 n GLY 241 N 1.38 0.46 3.53 2.72 0.00 0.08 -5.06 105.19 108.30 1cm5 n GLY 241 Ca 0.18 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 1cm5 n GLY 241 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cm5 s TYR 242 N -2.00 2.73 -0.34 1.61 1.51 -0.97 -4.98 117.35 114.91 1cm5 s TYR 242 Ca 0.00 -0.14 -0.01 0.00 -1.01 0.00 0.00 57.07 55.90 1cm5 s TYR 242 Cb 0.00 -1.54 0.08 0.00 -0.11 0.00 0.00 41.96 40.39 1cm5 s TYR 242 CO 0.00 0.31 0.08 0.34 -1.11 0.00 0.00 175.55 175.17 1cm5 s ASP 243 N -1.41 5.00 -0.20 2.29 -1.08 -1.26 -2.52 116.67 117.50 1cm5 s ASP 243 Ca 0.16 -1.65 0.15 0.00 -0.52 0.00 0.00 52.55 50.69 1cm5 s ASP 243 Cb -0.11 -1.74 0.69 0.00 -1.46 0.00 0.00 42.92 40.30 1cm5 s ASP 243 CO 0.06 -0.37 1.60 2.30 0.52 0.00 0.00 175.17 179.28 1cm5 n ILE 244 N 4.57 2.47 0.09 4.11 -5.35 -1.26 -4.51 119.36 119.48 1cm5 n ILE 244 Ca -0.07 -1.58 0.03 0.00 -0.27 0.00 0.00 62.75 60.86 1cm5 n ILE 244 Cb 0.42 -0.22 0.40 0.00 -1.74 0.00 0.00 39.64 38.51 1cm5 n ILE 244 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1cm5 h SER 245 N 3.08 0.30 -1.35 7.28 4.64 -1.94 -1.56 113.55 123.99 1cm5 h SER 245 Ca 0.00 -0.04 -0.47 0.00 -0.47 0.00 0.00 61.79 60.81 1cm5 h SER 245 Cb 1.70 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1cm5 h SER 245 CO 0.36 0.37 -0.29 -0.83 -0.87 0.00 0.00 176.83 175.56 1cm5 s GLY 246 N -3.95 2.02 0.74 -0.77 0.00 -1.26 -1.61 107.32 102.50 1cm5 s GLY 246 Ca -0.06 -1.79 -0.13 0.00 0.00 0.00 0.00 44.72 42.74 1cm5 s GLY 246 CO 0.73 -1.62 1.12 -4.14 0.00 0.00 0.00 173.10 169.19 1cm5 s PRO 247 N -4.29 2.32 0.17 2.90 0.02 -1.25 -4.24 135.00 130.62 1cm5 s PRO 247 Ca 0.52 1.35 -0.31 0.00 0.02 0.00 0.00 61.00 62.58 1cm5 s PRO 247 Cb -0.06 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.47 1cm5 s PRO 247 CO 0.31 -1.62 1.43 0.00 -0.33 0.00 0.00 177.00 176.79 1cm5 s ALA 248 N -2.57 3.63 -0.75 -1.55 0.00 -0.22 -4.92 121.76 115.39 1cm5 s ALA 248 Ca 0.65 1.22 0.23 0.00 0.00 0.00 0.00 51.96 54.06 1cm5 s ALA 248 Cb -0.20 -3.55 0.10 0.00 0.00 0.00 0.00 23.12 19.46 1cm5 s ALA 248 CO 0.50 -0.67 1.08 0.25 0.00 0.00 0.00 175.76 176.92 1cm5 n THR 249 N 3.41 0.11 -3.91 0.00 -2.24 -1.26 -4.83 114.28 105.55 1cm5 n THR 249 Ca 0.10 -0.16 -0.11 0.00 -2.27 0.00 0.00 64.05 61.61 1cm5 n THR 249 Cb 0.41 0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 68.96 1cm5 n THR 249 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1cm5 n ASN 250 N -1.80 -1.31 0.01 3.42 0.23 -1.26 -4.92 115.26 109.63 1cm5 n ASN 250 Ca 0.03 -2.54 -0.10 0.00 -0.53 0.00 0.00 54.58 51.43 1cm5 n ASN 250 Cb 0.40 2.37 -0.04 0.00 -2.08 0.00 0.00 39.78 40.43 1cm5 n ASN 250 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1cm5 h ALA 251 N 1.95 -0.00 -0.51 -2.53 0.00 -1.95 -0.10 119.26 116.12 1cm5 h ALA 251 Ca -0.24 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1cm5 h ALA 251 Cb 1.01 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1cm5 h ALA 251 CO 0.32 -0.54 0.24 0.37 0.00 0.00 0.00 179.25 179.64 1cm5 h GLN 252 N -0.09 0.46 -0.25 0.00 -0.00 -1.98 -1.42 115.11 111.84 1cm5 h GLN 252 Ca 0.06 -0.03 -0.11 0.00 -0.00 0.00 0.00 58.65 58.57 1cm5 h GLN 252 Cb 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.54 1cm5 h GLN 252 CO -0.14 0.30 -0.32 0.93 0.00 0.00 0.00 178.83 179.60 1cm5 h GLU 253 N 0.47 0.52 -0.45 1.69 5.08 -1.91 -0.68 114.58 119.30 1cm5 h GLU 253 Ca 0.23 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1cm5 h GLU 253 Cb 0.17 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1cm5 h GLU 253 CO -0.18 0.78 0.15 0.00 -1.00 0.00 0.00 179.01 178.76 1cm5 h ALA 254 N 1.21 0.58 -0.15 3.43 0.00 -0.35 0.36 119.26 124.34 1cm5 h ALA 254 Ca 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1cm5 h ALA 254 Cb 0.78 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1cm5 h ALA 254 CO 0.06 0.22 -0.03 0.82 0.00 0.00 0.00 179.25 180.32 1cm5 h ILE 255 N 0.58 1.28 -0.38 0.00 2.04 -1.20 -2.20 117.51 117.65 1cm5 h ILE 255 Ca 0.15 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 1cm5 h ILE 255 Cb 0.24 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1cm5 h ILE 255 CO -0.01 0.29 0.20 -0.61 0.00 0.00 0.00 178.15 178.01 1cm5 h GLN 256 N -0.01 0.53 -0.44 2.37 5.75 -0.95 -1.14 115.11 121.23 1cm5 h GLN 256 Ca 0.04 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1cm5 h GLN 256 Cb 0.45 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 1cm5 h GLN 256 CO 0.01 0.46 0.26 -1.49 -2.65 0.00 0.00 178.83 175.42 1cm5 h TRP 257 N 0.48 0.59 -0.23 3.99 -0.00 -0.30 -0.01 115.95 120.47 1cm5 h TRP 257 Ca 0.13 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 59.01 1cm5 h TRP 257 Cb 0.09 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.16 29.04 1cm5 h TRP 257 CO -0.02 0.43 0.11 1.15 -0.00 0.00 0.00 178.44 180.11 1cm5 h THR 258 N 0.58 1.14 -0.89 1.49 2.02 -1.25 -2.40 112.91 113.60 1cm5 h THR 258 Ca 0.16 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1cm5 h THR 258 Cb 0.02 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 1cm5 h THR 258 CO -0.03 0.13 0.51 0.22 0.37 0.00 0.00 175.52 176.73 1cm5 h TYR 259 N 0.24 1.20 -0.57 3.16 3.20 -1.01 -1.85 116.97 121.34 1cm5 h TYR 259 Ca 0.08 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1cm5 h TYR 259 Cb 0.11 -0.39 -0.03 0.00 1.54 0.00 0.00 36.73 37.96 1cm5 h TYR 259 CO -0.03 0.81 0.38 0.74 -1.64 0.00 0.00 178.16 178.42 1cm5 h PHE 260 N 1.24 0.70 -0.53 -3.82 0.05 -0.68 0.47 116.94 114.37 1cm5 h PHE 260 Ca 0.32 0.02 -0.05 0.00 3.82 0.00 0.00 57.97 62.08 1cm5 h PHE 260 Cb -0.01 -0.24 -0.02 0.00 2.00 0.00 0.00 35.95 37.68 1cm5 h PHE 260 CO 0.01 0.43 0.14 0.78 -0.18 0.00 0.00 178.31 179.49 1cm5 h GLY 261 N 0.74 0.90 1.28 -1.45 0.00 -0.85 -2.16 103.07 101.53 1cm5 h GLY 261 Ca 0.21 -0.55 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 1cm5 h GLY 261 CO -0.05 0.52 -0.38 -1.82 0.00 0.00 0.00 176.54 174.81 1cm5 h TYR 262 N 0.73 0.94 -0.68 5.60 3.20 -0.87 -3.11 116.97 122.78 1cm5 h TYR 262 Ca 0.17 -0.27 0.03 0.00 3.14 0.00 0.00 58.73 61.79 1cm5 h TYR 262 Cb 0.32 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 1cm5 h TYR 262 CO 0.02 1.05 0.43 1.25 -1.64 0.00 0.00 178.16 179.27 1cm5 h LEU 263 N 0.65 0.71 -1.27 2.82 5.85 0.14 -0.99 115.31 123.23 1cm5 h LEU 263 Ca 0.06 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1cm5 h LEU 263 Cb 0.94 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1cm5 h LEU 263 CO 0.09 0.49 0.50 0.00 -0.34 0.00 0.00 178.44 179.18 1cm5 h ALA 264 N 1.29 1.50 0.24 1.25 0.00 -1.35 -1.59 119.26 120.59 1cm5 h ALA 264 Ca 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1cm5 h ALA 264 Cb 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1cm5 h ALA 264 CO -0.10 0.45 -0.12 0.00 0.00 0.00 0.00 179.25 179.48 1cm5 h ALA 265 N 1.54 -0.32 0.00 0.00 0.00 -1.16 -2.53 119.26 116.79 1cm5 h ALA 265 Ca 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1cm5 h ALA 265 Cb -0.05 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1cm5 h ALA 265 CO -0.07 -0.59 0.00 1.33 0.00 0.00 0.00 179.25 179.92 1cm5 n VAL 266 N -5.15 0.22 0.02 0.00 0.24 -0.57 -1.08 118.33 112.02 1cm5 n VAL 266 Ca -0.09 0.06 0.08 0.00 -2.04 0.00 0.00 64.34 62.35 1cm5 n VAL 266 Cb 0.21 -0.70 -0.11 0.00 -1.47 0.00 0.00 33.84 31.77 1cm5 n VAL 266 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1cm5 n LYS 267 N -1.19 0.64 -0.01 7.34 5.02 -0.62 -4.54 118.16 124.79 1cm5 n LYS 267 Ca 0.12 -0.04 0.04 0.00 -2.02 0.00 0.00 58.31 56.41 1cm5 n LYS 267 Cb 0.14 -1.64 -0.08 0.00 -0.02 0.00 0.00 35.03 33.43 1cm5 n LYS 267 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1cm5 n SER 268 N -2.49 2.65 -4.18 4.39 3.41 -0.86 -3.66 113.62 112.87 1cm5 n SER 268 Ca -0.06 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.38 1cm5 n SER 268 Cb 0.64 1.35 -0.11 0.00 -0.26 0.00 0.00 64.21 65.82 1cm5 n SER 268 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1cm5 s GLN 269 N -2.63 0.86 -0.34 4.33 -1.52 -0.24 -4.96 119.66 115.16 1cm5 s GLN 269 Ca -0.04 -1.06 0.09 0.00 -1.95 0.00 0.00 55.36 52.40 1cm5 s GLN 269 Cb 0.06 -0.76 0.45 0.00 -0.22 0.00 0.00 33.01 32.54 1cm5 s GLN 269 CO 0.42 0.15 1.14 0.27 -0.25 0.00 0.00 175.29 177.02 1cm5 n ASN 270 N 0.95 4.19 -4.65 5.90 6.94 -1.26 -4.52 115.26 122.81 1cm5 n ASN 270 Ca -0.19 -3.46 -0.38 0.00 -0.02 0.00 0.00 54.58 50.53 1cm5 n ASN 270 Cb 0.56 -0.41 0.04 0.00 -2.36 0.00 0.00 39.78 37.61 1cm5 n ASN 270 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cm5 n GLY 271 N -0.57 0.03 0.25 4.83 0.00 -1.26 -3.26 105.19 105.20 1cm5 n GLY 271 Ca 0.35 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.34 1cm5 n GLY 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cm5 h ALA 272 N 0.90 0.87 -3.14 4.61 0.00 -1.53 -3.37 119.26 117.60 1cm5 h ALA 272 Ca -0.49 0.09 -0.67 0.00 0.00 0.00 0.00 54.91 53.85 1cm5 h ALA 272 Cb 1.34 0.07 -0.31 0.00 0.00 0.00 0.00 17.79 18.89 1cm5 h ALA 272 CO 0.53 -0.19 -0.81 0.00 0.00 0.00 0.00 179.25 178.78 1cm5 s ALA 273 N -6.07 2.48 -0.67 0.00 0.00 -1.26 -4.58 121.76 111.65 1cm5 s ALA 273 Ca -0.13 -1.10 0.05 0.00 0.00 0.00 0.00 51.96 50.78 1cm5 s ALA 273 Cb 0.18 -1.25 0.18 0.00 0.00 0.00 0.00 23.12 22.23 1cm5 s ALA 273 CO 0.75 -0.14 0.50 -1.33 0.00 0.00 0.00 175.76 175.54 1cm5 n MET 274 N 4.26 1.72 -2.29 0.00 2.00 -0.69 -3.23 117.12 118.89 1cm5 n MET 274 Ca -0.19 -4.36 -0.34 0.00 0.00 0.00 0.00 57.70 52.80 1cm5 n MET 274 Cb 0.51 -2.21 -0.01 0.00 0.00 0.00 0.00 33.22 31.51 1cm5 n MET 274 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1cm5 s SER 275 N -1.41 5.95 0.01 7.83 0.01 -1.10 -4.03 113.70 120.97 1cm5 s SER 275 Ca 0.27 1.97 -0.11 0.00 1.31 0.00 0.00 55.95 59.39 1cm5 s SER 275 Cb -0.01 -2.56 -0.32 0.00 0.21 0.00 0.00 66.02 63.34 1cm5 s SER 275 CO -0.16 -1.05 0.89 0.15 0.41 0.00 0.00 173.24 173.48 1cm5 h PHE 276 N 1.07 0.75 0.00 2.43 -0.00 -1.48 -3.45 116.94 116.26 1cm5 h PHE 276 Ca -0.49 -0.55 0.00 0.00 -0.00 0.00 0.00 57.97 56.93 1cm5 h PHE 276 Cb 1.23 -0.03 0.00 0.00 -0.00 0.00 0.00 35.95 37.15 1cm5 h PHE 276 CO 0.56 1.53 0.00 0.41 -0.00 0.00 0.00 178.31 180.81 1cm5 n GLY 277 N 1.73 0.14 3.00 2.40 0.00 -0.26 -4.77 105.19 107.44 1cm5 n GLY 277 Ca -0.18 -1.98 -0.32 0.00 0.00 0.00 0.00 46.02 43.54 1cm5 n GLY 277 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1cm5 s ARG 278 N 0.00 2.57 -0.05 1.61 6.06 -1.26 -0.41 118.95 127.47 1cm5 s ARG 278 Ca 0.00 -3.01 0.06 0.00 -2.50 0.00 0.00 55.73 50.28 1cm5 s ARG 278 Cb 0.00 -3.59 -0.09 0.00 0.06 0.00 0.00 34.95 31.33 1cm5 s ARG 278 CO 0.00 -1.22 0.07 0.25 -2.50 0.00 0.00 175.30 171.90 1cm5 n THR 279 N 2.61 0.31 -0.13 4.11 -2.24 -1.26 -4.67 114.28 113.00 1cm5 n THR 279 Ca 0.14 -0.24 -0.04 0.00 -2.27 0.00 0.00 64.05 61.64 1cm5 n THR 279 Cb 0.35 -0.44 0.02 0.00 -2.10 0.00 0.00 70.33 68.17 1cm5 n THR 279 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1cm5 h SER 280 N 0.00 -0.47 -0.65 3.42 4.64 -1.91 -0.32 113.55 118.25 1cm5 h SER 280 Ca -0.12 0.14 -0.08 0.00 -0.47 0.00 0.00 61.79 61.26 1cm5 h SER 280 Cb 1.05 0.29 -0.03 0.00 -0.31 0.00 0.00 62.40 63.41 1cm5 h SER 280 CO 0.01 -0.17 0.09 0.74 -0.87 0.00 0.00 176.83 176.63 1cm5 h THR 281 N -0.03 1.26 -0.23 2.95 2.02 -1.87 -2.10 112.91 114.91 1cm5 h THR 281 Ca 0.21 -1.05 0.03 0.00 0.77 0.00 0.00 66.41 66.37 1cm5 h THR 281 Cb 0.35 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1cm5 h THR 281 CO -0.46 0.39 0.05 0.15 0.37 0.00 0.00 175.52 176.02 1cm5 h PHE 282 N 1.01 0.08 0.00 3.16 3.57 -1.68 -1.27 116.94 121.82 1cm5 h PHE 282 Ca 0.20 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 1cm5 h PHE 282 Cb 0.46 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 1cm5 h PHE 282 CO 0.03 0.03 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.96 1cm5 h LEU 283 N 0.14 0.00 -1.52 0.59 3.38 -0.87 -2.64 115.31 114.40 1cm5 h LEU 283 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1cm5 h LEU 283 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1cm5 h LEU 283 CO -0.14 0.11 0.20 -0.78 0.09 0.00 0.00 178.44 177.92 1cm5 h ASP 284 N 0.00 0.46 -0.99 -0.43 1.82 -0.52 -1.96 116.42 114.79 1cm5 h ASP 284 Ca -0.00 -0.03 0.08 0.00 -0.39 0.00 0.00 57.03 56.69 1cm5 h ASP 284 Cb 0.36 -0.12 -0.07 0.00 0.68 0.00 0.00 39.33 40.19 1cm5 h ASP 284 CO 0.01 0.39 0.64 0.58 -1.61 0.00 0.00 179.24 179.25 1cm5 h VAL 285 N 0.53 1.04 0.13 2.25 2.07 -1.45 0.37 116.25 121.18 1cm5 h VAL 285 Ca 0.14 -0.38 -0.27 0.00 0.82 0.00 0.00 66.70 67.00 1cm5 h VAL 285 Cb 0.03 -0.17 0.01 0.00 -1.52 0.00 0.00 31.29 29.64 1cm5 h VAL 285 CO -0.02 0.20 -1.23 1.88 0.02 0.00 0.00 177.57 178.42 1cm5 h TYR 286 N 1.11 0.54 -0.33 1.57 -1.99 -1.54 -2.95 116.97 113.38 1cm5 h TYR 286 Ca 0.45 -0.38 -0.06 0.00 2.00 0.00 0.00 58.73 60.73 1cm5 h TYR 286 Cb 0.26 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 38.96 1cm5 h TYR 286 CO -0.00 1.29 -0.03 0.82 -0.00 0.00 0.00 178.16 180.23 1cm5 h ILE 287 N 0.09 1.27 -0.19 -2.88 2.04 -0.73 -2.59 117.51 114.52 1cm5 h ILE 287 Ca -0.14 -1.04 0.02 0.00 1.00 0.00 0.00 64.86 64.71 1cm5 h ILE 287 Cb 1.95 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 39.30 1cm5 h ILE 287 CO 0.21 0.34 0.03 -0.33 0.00 0.00 0.00 178.15 178.40 1cm5 h GLU 288 N 0.39 0.11 -0.65 2.37 4.39 -0.38 -0.90 114.58 119.90 1cm5 h GLU 288 Ca 0.09 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.85 1cm5 h GLU 288 Cb 0.50 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.07 1cm5 h GLU 288 CO 0.02 0.07 0.34 -0.09 -1.16 0.00 0.00 179.01 178.19 1cm5 h ARG 289 N 0.11 0.60 -0.30 2.33 2.43 -1.49 -0.41 114.38 117.65 1cm5 h ARG 289 Ca 0.08 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.10 1cm5 h ARG 289 Cb 0.08 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1cm5 h ARG 289 CO -0.11 0.39 -0.30 -0.44 -1.51 0.00 0.00 179.97 178.00 1cm5 h ASP 290 N 0.61 0.64 -0.01 -3.80 3.45 -1.09 -1.70 116.42 114.52 1cm5 h ASP 290 Ca 0.30 -0.25 -0.00 0.00 0.43 0.00 0.00 57.03 57.51 1cm5 h ASP 290 Cb 0.24 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 38.83 1cm5 h ASP 290 CO -0.21 0.91 -0.00 -0.07 -1.57 0.00 0.00 179.24 178.29 1cm5 h LEU 291 N 0.53 0.02 -1.61 1.55 3.38 -0.65 0.14 115.31 118.67 1cm5 h LEU 291 Ca 0.06 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.72 1cm5 h LEU 291 Cb 0.79 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1cm5 h LEU 291 CO 0.06 0.35 0.28 0.11 0.09 0.00 0.00 178.44 179.33 1cm5 h LYS 292 N -0.30 0.51 -0.03 1.13 6.56 -1.05 0.94 116.57 124.32 1cm5 h LYS 292 Ca 0.00 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1cm5 h LYS 292 Cb 0.34 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 31.88 1cm5 h LYS 292 CO 0.00 0.34 0.00 0.00 -2.06 0.00 0.00 179.45 177.73 1cm5 n ALA 293 N -2.48 2.60 -1.41 3.86 0.00 -0.65 -4.90 120.51 117.53 1cm5 n ALA 293 Ca 0.04 -0.36 -0.14 0.00 0.00 0.00 0.00 53.44 52.98 1cm5 n ALA 293 Cb 0.09 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.22 1cm5 n ALA 293 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cm5 n GLY 294 N 1.08 1.45 0.09 0.00 0.00 0.32 -4.86 105.19 103.27 1cm5 n GLY 294 Ca 0.19 -0.24 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 1cm5 n GLY 294 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1cm5 h LYS 295 N 0.03 0.00 -4.46 1.61 3.64 -0.96 -3.46 116.57 112.97 1cm5 h LYS 295 Ca -0.29 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 58.75 1cm5 h LYS 295 Cb 1.00 0.00 -0.28 0.00 -0.41 0.00 0.00 32.23 32.55 1cm5 h LYS 295 CO 0.43 0.85 -0.76 -1.50 -2.27 0.00 0.00 179.45 176.20 1cm5 s ILE 296 N -3.00 0.51 0.66 2.00 1.10 -1.07 -5.02 121.20 116.39 1cm5 s ILE 296 Ca 0.00 -0.37 -0.07 0.00 -0.51 0.00 0.00 60.65 59.71 1cm5 s ILE 296 Cb 0.11 -0.45 0.04 0.00 0.15 0.00 0.00 42.46 42.30 1cm5 s ILE 296 CO 0.80 0.08 0.98 0.42 -2.11 0.00 0.00 174.94 175.10 1cm5 s THR 297 N -0.29 2.87 0.23 4.00 -4.23 -1.26 -4.28 115.64 112.68 1cm5 s THR 297 Ca 0.01 -0.12 -0.04 0.00 -1.18 0.00 0.00 61.69 60.36 1cm5 s THR 297 Cb -0.03 -3.20 0.07 0.00 1.34 0.00 0.00 72.50 70.68 1cm5 s THR 297 CO -0.00 -0.21 1.68 -0.08 -0.54 0.00 0.00 174.62 175.47 1cm5 h GLU 298 N -0.44 0.80 -0.71 3.99 4.57 -1.98 -1.98 114.58 118.83 1cm5 h GLU 298 Ca -0.45 -0.27 -0.07 0.00 -1.18 0.00 0.00 59.36 57.39 1cm5 h GLU 298 Cb 1.29 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.79 1cm5 h GLU 298 CO 0.61 0.88 0.17 0.37 -1.18 0.00 0.00 179.01 179.86 1cm5 h GLN 299 N 0.72 1.13 0.00 1.92 4.15 -1.94 -1.65 115.11 119.44 1cm5 h GLN 299 Ca 0.12 -0.27 -0.06 0.00 0.77 0.00 0.00 58.65 59.21 1cm5 h GLN 299 Cb 0.61 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 1cm5 h GLN 299 CO 0.04 0.99 -0.31 0.93 -1.93 0.00 0.00 178.83 178.55 1cm5 h GLU 300 N 1.07 0.00 -0.19 1.69 5.08 -1.88 -0.97 114.58 119.38 1cm5 h GLU 300 Ca 0.22 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.52 1cm5 h GLU 300 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1cm5 h GLU 300 CO 0.00 0.31 -0.14 0.00 -1.00 0.00 0.00 179.01 178.17 1cm5 h ALA 301 N 1.69 0.27 -0.88 3.43 0.00 -0.76 -2.39 119.26 120.62 1cm5 h ALA 301 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1cm5 h ALA 301 Cb 0.55 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1cm5 h ALA 301 CO 0.04 0.15 0.48 1.96 0.00 0.00 0.00 179.25 181.88 1cm5 h GLN 302 N 0.09 1.22 -0.34 0.00 1.08 -0.93 -2.17 115.11 114.06 1cm5 h GLN 302 Ca 0.03 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1cm5 h GLN 302 Cb 0.66 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 1cm5 h GLN 302 CO 0.04 0.89 0.21 1.49 -0.95 0.00 0.00 178.83 180.51 1cm5 h GLU 303 N 1.22 0.45 -0.29 1.46 4.81 -1.11 0.38 114.58 121.49 1cm5 h GLU 303 Ca 0.31 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.52 1cm5 h GLU 303 Cb 0.02 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1cm5 h GLU 303 CO -0.05 0.32 0.15 0.52 -0.73 0.00 0.00 179.01 179.22 1cm5 h MET 304 N 0.45 0.30 -0.57 1.92 2.86 -1.15 0.11 114.93 118.85 1cm5 h MET 304 Ca 0.12 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 1cm5 h MET 304 Cb -0.02 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 1cm5 h MET 304 CO -0.02 0.20 0.26 0.28 1.06 0.00 0.00 176.91 178.68 1cm5 h VAL 305 N 0.31 1.21 -0.93 -2.22 2.07 -1.09 -1.15 116.25 114.46 1cm5 h VAL 305 Ca 0.12 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1cm5 h VAL 305 Cb 0.03 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 1cm5 h VAL 305 CO -0.08 0.25 0.60 0.44 0.02 0.00 0.00 177.57 178.80 1cm5 h ASP 306 N 0.78 1.08 0.23 0.57 3.32 0.29 0.52 116.42 123.22 1cm5 h ASP 306 Ca 0.19 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.08 1cm5 h ASP 306 Cb 0.15 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1cm5 h ASP 306 CO -0.02 0.80 -0.47 0.45 -1.72 0.00 0.00 179.24 178.28 1cm5 h HIS 307 N 1.26 0.34 0.47 4.55 3.86 -0.41 0.31 115.15 125.53 1cm5 h HIS 307 Ca 0.34 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 1cm5 h HIS 307 Cb -0.12 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.29 1cm5 h HIS 307 CO -0.00 0.70 -0.22 1.25 0.86 0.00 0.00 177.93 180.52 1cm5 h LEU 308 N 0.23 -0.53 -1.24 2.43 5.85 -0.65 -2.57 115.31 118.82 1cm5 h LEU 308 Ca 0.01 -0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.75 1cm5 h LEU 308 Cb 0.92 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.02 1cm5 h LEU 308 CO 0.07 -0.14 0.56 0.58 -0.34 0.00 0.00 178.44 179.18 1cm5 h VAL 309 N -1.02 0.97 -0.73 1.05 2.07 -0.88 -0.10 116.25 117.61 1cm5 h VAL 309 Ca -0.06 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1cm5 h VAL 309 Cb 0.58 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1cm5 h VAL 309 CO 0.11 0.15 0.44 -0.03 0.02 0.00 0.00 177.57 178.26 1cm5 h MET 310 N 0.85 0.98 -0.32 1.57 1.85 -0.35 -0.91 114.93 118.60 1cm5 h MET 310 Ca 0.39 -0.08 -0.10 0.00 -0.61 0.00 0.00 59.70 59.30 1cm5 h MET 310 Cb 0.40 -0.21 -0.01 0.00 0.43 0.00 0.00 31.60 32.21 1cm5 h MET 310 CO -0.16 0.68 -0.23 0.87 -0.40 0.00 0.00 176.91 177.67 1cm5 h LYS 311 N 1.00 0.62 0.00 0.39 1.79 -0.61 -2.02 116.57 117.75 1cm5 h LYS 311 Ca 0.26 -0.24 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1cm5 h LYS 311 Cb -0.05 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.56 1cm5 h LYS 311 CO -0.05 0.80 -0.03 -0.07 -1.08 0.00 0.00 179.45 179.02 1cm5 h LEU 312 N 0.55 0.00 -0.08 2.94 3.38 -0.62 -0.20 115.31 121.27 1cm5 h LEU 312 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1cm5 h LEU 312 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1cm5 h LEU 312 CO 0.05 0.03 -0.08 0.54 0.09 0.00 0.00 178.44 179.08 1cm5 n ARG 313 N -3.14 0.41 -0.02 1.13 1.74 -0.47 -3.67 116.66 112.64 1cm5 n ARG 313 Ca 0.00 -0.08 0.06 0.00 -0.77 0.00 0.00 57.85 57.07 1cm5 n ARG 313 Cb 0.32 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.32 1cm5 n ARG 313 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1cm5 n MET 314 N -1.22 0.92 -2.11 5.56 2.81 -0.10 -4.98 117.12 118.00 1cm5 n MET 314 Ca 0.12 -1.32 -0.42 0.00 -1.81 0.00 0.00 57.70 54.28 1cm5 n MET 314 Cb 0.28 -1.24 -0.03 0.00 -0.71 0.00 0.00 33.22 31.52 1cm5 n MET 314 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1cm5 s VAL 315 N -1.03 3.01 0.01 2.03 1.01 -1.17 -4.56 120.40 119.69 1cm5 s VAL 315 Ca 0.16 0.79 -0.03 0.00 0.00 0.00 0.00 61.98 62.90 1cm5 s VAL 315 Cb 0.11 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1cm5 s VAL 315 CO 0.16 0.10 0.04 -0.13 0.00 0.00 0.00 175.10 175.27 1cm5 s ARG 316 N 0.26 0.39 -0.01 2.72 1.81 -1.26 -4.96 118.95 117.90 1cm5 s ARG 316 Ca 0.61 -0.54 0.01 0.00 -1.72 0.00 0.00 55.73 54.08 1cm5 s ARG 316 Cb -0.39 0.15 0.01 0.00 -0.45 0.00 0.00 34.95 34.27 1cm5 s ARG 316 CO 0.37 -0.08 -0.01 -0.06 -0.68 0.00 0.00 175.30 174.84 1cm5 s PHE 317 N -1.51 0.21 -0.23 -0.53 0.40 -1.26 -4.70 117.98 110.36 1cm5 s PHE 317 Ca -0.15 -0.01 -0.29 0.00 -0.60 0.00 0.00 56.93 55.88 1cm5 s PHE 317 Cb -0.08 -0.22 -0.02 0.00 0.51 0.00 0.00 43.02 43.20 1cm5 s PHE 317 CO -0.00 -0.05 1.52 -1.17 0.70 0.00 0.00 175.22 176.22 1cm5 s LEU 318 N 0.39 3.92 0.19 -0.37 2.96 -1.26 -5.00 118.68 119.51 1cm5 s LEU 318 Ca -0.04 1.55 0.10 0.00 -0.22 0.00 0.00 54.13 55.52 1cm5 s LEU 318 Cb -0.06 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 1cm5 s LEU 318 CO -0.01 -1.18 -0.20 -0.13 -1.32 0.00 0.00 176.35 173.51 1cm5 s ARG 319 N 4.47 1.40 0.57 1.98 1.81 -1.26 -5.01 118.95 122.91 1cm5 s ARG 319 Ca 0.67 -1.49 -0.07 0.00 -1.72 0.00 0.00 55.73 53.12 1cm5 s ARG 319 Cb -0.23 -1.54 -0.01 0.00 -0.45 0.00 0.00 34.95 32.72 1cm5 s ARG 319 CO 0.27 0.32 0.90 0.95 -0.68 0.00 0.00 175.30 177.05 1cm5 s THR 320 N -2.01 4.08 0.44 0.02 -4.23 -1.26 -4.80 115.64 107.87 1cm5 s THR 320 Ca 0.19 0.17 0.11 0.00 -1.18 0.00 0.00 61.69 60.98 1cm5 s THR 320 Cb -0.06 -3.61 0.23 0.00 1.34 0.00 0.00 72.50 70.41 1cm5 s THR 320 CO 0.09 -0.64 2.04 -0.65 -0.54 0.00 0.00 174.62 174.92 1cm5 h PRO 321 N -0.11 0.26 -0.53 3.99 0.11 -1.97 -0.90 132.00 132.85 1cm5 h PRO 321 Ca -0.46 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1cm5 h PRO 321 Cb 1.24 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1cm5 h PRO 321 CO 0.61 0.24 0.21 1.49 -0.21 0.00 0.00 178.00 180.34 1cm5 h GLU 322 N 0.26 0.80 -0.62 1.05 4.81 -2.01 -2.39 114.58 116.49 1cm5 h GLU 322 Ca 0.07 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 1cm5 h GLU 322 Cb 0.10 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1cm5 h GLU 322 CO -0.00 0.70 0.15 -0.92 -0.73 0.00 0.00 179.01 178.21 1cm5 h TYR 323 N 0.72 1.04 -0.65 0.92 3.20 -1.74 -2.78 116.97 117.68 1cm5 h TYR 323 Ca 0.18 -0.13 0.12 0.00 3.14 0.00 0.00 58.73 62.05 1cm5 h TYR 323 Cb 0.21 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 1cm5 h TYR 323 CO 0.01 0.88 0.44 0.22 -1.64 0.00 0.00 178.16 178.06 1cm5 h ASP 324 N 0.91 0.32 1.44 -2.11 1.82 -0.71 0.13 116.42 118.23 1cm5 h ASP 324 Ca 0.19 0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 56.76 1cm5 h ASP 324 Cb 0.36 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.30 1cm5 h ASP 324 CO 0.00 0.18 -0.57 1.05 -1.61 0.00 0.00 179.24 178.29 1cm5 h GLU 325 N 0.35 0.00 0.16 0.28 4.11 -1.18 -2.93 114.58 115.36 1cm5 h GLU 325 Ca 0.31 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.43 1cm5 h GLU 325 Cb 0.73 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.98 1cm5 h GLU 325 CO -0.08 0.34 -1.48 -0.07 0.07 0.00 0.00 179.01 177.78 1cm5 h LEU 326 N 0.00 0.54 -6.78 3.06 -0.00 -1.08 -3.41 115.31 107.64 1cm5 h LEU 326 Ca -0.03 -0.66 -0.60 0.00 -0.00 0.00 0.00 57.88 56.59 1cm5 h LEU 326 Cb 1.31 -0.17 -0.40 0.00 -0.00 0.00 0.00 40.66 41.40 1cm5 h LEU 326 CO 0.05 1.53 -0.79 -0.36 -0.00 0.00 0.00 178.44 178.87 1cm5 s PHE 327 N -2.62 1.92 0.63 1.13 0.40 0.34 -1.69 117.98 118.10 1cm5 s PHE 327 Ca -0.09 -2.51 -0.13 0.00 -0.60 0.00 0.00 56.93 53.60 1cm5 s PHE 327 Cb 0.06 -1.67 -0.03 0.00 0.51 0.00 0.00 43.02 41.89 1cm5 s PHE 327 CO 0.88 -0.75 1.04 -1.54 0.70 0.00 0.00 175.22 175.55 1cm5 s SER 328 N -0.06 5.88 0.00 1.36 1.04 -1.11 -4.41 113.70 116.41 1cm5 s SER 328 Ca 0.24 1.59 0.00 0.00 0.48 0.00 0.00 55.95 58.26 1cm5 s SER 328 Cb -0.11 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.51 1cm5 s SER 328 CO -0.10 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.63 1cm5 n GLY 329 N -1.98 0.50 3.76 7.32 0.00 -1.26 -4.21 105.19 109.32 1cm5 n GLY 329 Ca 0.07 -0.90 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 1cm5 n GLY 329 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cm5 n ASP 330 N 1.70 -2.33 -4.84 1.61 4.64 -1.26 -4.66 116.55 111.41 1cm5 n ASP 330 Ca 0.00 -0.94 -0.31 0.00 -1.38 0.00 0.00 54.79 52.16 1cm5 n ASP 330 Cb 0.08 -3.57 0.03 0.00 -1.04 0.00 0.00 41.12 36.61 1cm5 n ASP 330 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1cm5 s PRO 331 N -6.10 3.28 0.00 -0.67 0.04 -1.26 -5.01 135.00 125.28 1cm5 s PRO 331 Ca 0.16 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1cm5 s PRO 331 Cb -0.05 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1cm5 s PRO 331 CO 0.85 -0.83 0.00 -0.89 0.04 0.00 0.00 177.00 176.17 1cm5 n ILE 332 N -2.77 0.00 -3.23 0.56 2.08 -1.26 -4.95 119.36 109.80 1cm5 n ILE 332 Ca 0.07 0.00 -0.15 0.00 0.56 0.00 0.00 62.75 63.23 1cm5 n ILE 332 Cb 0.54 -0.30 0.07 0.00 -0.75 0.00 0.00 39.64 39.20 1cm5 n ILE 332 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 1cm5 n TRP 333 N -1.46 -1.94 -1.87 1.39 8.01 -1.26 -1.71 117.44 118.59 1cm5 n TRP 333 Ca 0.00 0.78 -0.42 0.00 -1.31 0.00 0.00 57.50 56.55 1cm5 n TRP 333 Cb 0.19 -4.44 0.00 0.00 -2.01 0.00 0.00 31.31 25.05 1cm5 n TRP 333 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1cm5 n ALA 334 N -3.83 5.28 -2.33 6.99 0.00 -1.26 -2.70 120.51 122.67 1cm5 n ALA 334 Ca -0.17 -3.90 -0.42 0.00 0.00 0.00 0.00 53.44 48.96 1cm5 n ALA 334 Cb 0.61 -3.52 -0.03 0.00 0.00 0.00 0.00 19.45 16.51 1cm5 n ALA 334 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cm5 s THR 335 N 3.18 3.95 -0.14 0.00 2.01 -1.26 -1.34 115.64 122.04 1cm5 s THR 335 Ca 0.47 1.45 0.02 0.00 0.31 0.00 0.00 61.69 63.95 1cm5 s THR 335 Cb 0.12 -3.93 0.01 0.00 0.01 0.00 0.00 72.50 68.71 1cm5 s THR 335 CO -0.06 0.14 -0.22 -0.70 -0.69 0.00 0.00 174.62 173.09 1cm5 s GLU 336 N 0.74 3.03 -0.35 4.92 -6.30 -1.05 -1.10 118.70 118.58 1cm5 s GLU 336 Ca 0.57 -0.85 -0.16 0.00 -2.50 0.00 0.00 54.97 52.02 1cm5 s GLU 336 Cb -0.30 -2.44 -0.01 0.00 0.00 0.00 0.00 34.13 31.39 1cm5 s GLU 336 CO 0.31 -0.01 0.42 -1.12 0.02 0.00 0.00 175.26 174.87 1cm5 s SER 337 N 0.81 6.22 -0.08 -1.70 0.01 0.46 -0.76 113.70 118.66 1cm5 s SER 337 Ca -0.07 -0.23 -0.02 0.00 1.31 0.00 0.00 55.95 56.94 1cm5 s SER 337 Cb -0.16 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 1cm5 s SER 337 CO -0.02 -0.41 0.02 -0.63 0.41 0.00 0.00 173.24 172.61 1cm5 s ILE 338 N 2.14 4.43 0.00 1.44 1.01 0.47 -4.40 121.20 126.31 1cm5 s ILE 338 Ca 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.56 1cm5 s ILE 338 Cb -0.16 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.43 1cm5 s ILE 338 CO 0.12 0.59 0.00 0.61 0.00 0.00 0.00 174.94 176.26 1cm5 n GLY 339 N 2.06 1.28 0.00 6.18 0.00 -1.26 -0.96 105.19 112.49 1cm5 n GLY 339 Ca -0.18 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1cm5 n GLY 339 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cm5 n GLY 340 N 0.00 -0.97 3.33 -0.02 0.00 -0.98 -4.43 105.19 102.13 1cm5 n GLY 340 Ca 0.00 -1.65 -0.28 0.00 0.00 0.00 0.00 46.02 44.09 1cm5 n GLY 340 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1cm5 s MET 341 N -1.18 1.45 0.80 1.61 -1.94 -1.26 -0.34 119.30 118.43 1cm5 s MET 341 Ca 0.00 -1.18 -0.12 0.00 -1.71 0.00 0.00 55.69 52.68 1cm5 s MET 341 Cb 0.00 -1.75 0.07 0.00 2.01 0.00 0.00 34.83 35.16 1cm5 s MET 341 CO 0.00 0.43 1.17 0.20 -0.01 0.00 0.00 175.02 176.81 1cm5 s GLY 342 N -1.67 1.60 0.42 -0.03 0.00 0.15 -4.79 107.32 102.99 1cm5 s GLY 342 Ca 0.11 -0.61 0.22 0.00 0.00 0.00 0.00 44.72 44.44 1cm5 s GLY 342 CO 0.04 -0.13 1.82 1.41 0.00 0.00 0.00 173.10 176.24 1cm5 h LEU 343 N -1.01 0.00 0.00 0.66 3.38 -1.93 -2.91 115.31 113.51 1cm5 h LEU 343 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1cm5 h LEU 343 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1cm5 h LEU 343 CO 0.66 0.28 0.00 -0.90 0.09 0.00 0.00 178.44 178.57 1cm5 n ASP 344 N -3.52 0.00 0.00 -0.43 5.68 -1.26 -4.93 116.55 112.08 1cm5 n ASP 344 Ca -0.00 0.48 0.00 0.00 -0.50 0.00 0.00 54.79 54.77 1cm5 n ASP 344 Cb 0.43 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 1cm5 n ASP 344 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cm5 n GLY 345 N 1.22 2.05 3.80 6.12 0.00 -1.10 -5.09 105.19 112.19 1cm5 n GLY 345 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1cm5 n GLY 345 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cm5 s ARG 346 N -0.17 2.97 0.38 1.61 0.52 -1.26 -4.76 118.95 118.24 1cm5 s ARG 346 Ca 0.00 1.17 -0.22 0.00 -0.52 0.00 0.00 55.73 56.16 1cm5 s ARG 346 Cb 0.00 -1.99 -0.10 0.00 0.52 0.00 0.00 34.95 33.38 1cm5 s ARG 346 CO 0.00 -1.09 0.92 -0.08 0.02 0.00 0.00 175.30 175.06 1cm5 s THR 347 N -2.66 4.38 -2.43 0.02 -1.32 -1.26 -0.68 115.64 111.70 1cm5 s THR 347 Ca 0.62 1.51 0.23 0.00 -1.21 0.00 0.00 61.69 62.85 1cm5 s THR 347 Cb -0.16 -3.72 0.45 0.00 -1.51 0.00 0.00 72.50 67.55 1cm5 s THR 347 CO 0.45 -0.16 1.54 0.18 -2.21 0.00 0.00 174.62 174.42 1cm5 n LEU 348 N -0.23 2.07 -4.75 9.08 7.99 0.53 -4.69 117.00 127.00 1cm5 n LEU 348 Ca 0.05 -0.82 -0.41 0.00 -0.01 0.00 0.00 56.01 54.82 1cm5 n LEU 348 Cb 0.53 -0.10 -0.03 0.00 -0.11 0.00 0.00 43.42 43.71 1cm5 n LEU 348 CO 0.40 0.41 0.97 -0.69 -1.51 0.00 0.00 177.39 176.97 1cm5 s VAL 349 N -1.81 3.01 0.38 4.08 1.01 -1.25 -4.54 120.40 121.28 1cm5 s VAL 349 Ca 0.34 0.91 0.06 0.00 0.00 0.00 0.00 61.98 63.30 1cm5 s VAL 349 Cb 0.19 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1cm5 s VAL 349 CO 0.29 0.18 0.22 0.42 0.00 0.00 0.00 175.10 176.21 1cm5 s THR 350 N -0.48 0.23 0.41 3.92 -4.23 -1.26 -1.61 115.64 112.63 1cm5 s THR 350 Ca 0.53 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.16 1cm5 s THR 350 Cb -0.38 -2.39 0.16 0.00 1.34 0.00 0.00 72.50 71.23 1cm5 s THR 350 CO 0.44 0.00 1.94 0.11 -0.54 0.00 0.00 174.62 176.57 1cm5 h LYS 351 N 1.93 0.10 0.00 3.99 1.57 -1.91 -1.91 116.57 120.34 1cm5 h LYS 351 Ca -0.29 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.42 1cm5 h LYS 351 Cb 1.25 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1cm5 h LYS 351 CO 0.44 0.29 -0.23 -0.97 -0.57 0.00 0.00 179.45 178.41 1cm5 h ASN 352 N 0.10 0.00 -0.34 0.86 -1.24 -1.95 -1.66 115.58 111.35 1cm5 h ASN 352 Ca 0.02 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.05 1cm5 h ASN 352 Cb 0.38 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.41 1cm5 h ASN 352 CO 0.03 0.23 0.19 0.28 -1.29 0.00 0.00 177.43 176.87 1cm5 h SER 353 N 0.00 0.31 -0.57 1.15 0.02 -1.63 -1.07 113.55 111.75 1cm5 h SER 353 Ca -0.00 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.85 1cm5 h SER 353 Cb 0.56 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 1cm5 h SER 353 CO 0.03 0.22 -0.06 -0.26 -1.14 0.00 0.00 176.83 175.63 1cm5 h PHE 354 N 0.39 1.15 -0.91 3.45 -1.00 -1.45 -2.82 116.94 115.75 1cm5 h PHE 354 Ca 0.14 -0.22 0.01 0.00 2.81 0.00 0.00 57.97 60.70 1cm5 h PHE 354 Cb 0.01 -0.29 -0.04 0.00 3.61 0.00 0.00 35.95 39.24 1cm5 h PHE 354 CO -0.08 1.04 0.60 0.00 -1.61 0.00 0.00 178.31 178.26 1cm5 h ARG 355 N 0.93 1.20 -0.17 1.51 3.08 -0.80 0.21 114.38 120.35 1cm5 h ARG 355 Ca 0.15 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1cm5 h ARG 355 Cb 0.62 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1cm5 h ARG 355 CO 0.04 0.80 0.04 0.74 -1.07 0.00 0.00 179.97 180.52 1cm5 h PHE 356 N 1.24 0.29 -0.66 3.04 -1.00 -1.13 -2.76 116.94 115.95 1cm5 h PHE 356 Ca 0.33 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 61.06 1cm5 h PHE 356 Cb -0.13 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 39.32 1cm5 h PHE 356 CO -0.01 0.42 0.35 -0.07 -1.61 0.00 0.00 178.31 177.39 1cm5 h LEU 357 N 0.07 0.81 -1.86 1.54 4.07 -1.24 -2.08 115.31 116.63 1cm5 h LEU 357 Ca 0.05 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1cm5 h LEU 357 Cb 0.28 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.81 1cm5 h LEU 357 CO 0.00 0.67 0.00 -1.13 -1.08 0.00 0.00 178.44 176.90 1cm5 h ASN 358 N 0.92 0.00 0.38 -0.43 -1.24 -0.67 -1.58 115.58 112.96 1cm5 h ASN 358 Ca 0.23 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.23 1cm5 h ASN 358 Cb 0.04 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.09 1cm5 h ASN 358 CO -0.04 0.00 -0.07 0.71 -1.29 0.00 0.00 177.43 176.74 1cm5 h THR 359 N 0.00 0.36 0.00 -3.57 1.35 -1.23 0.54 112.91 110.36 1cm5 h THR 359 Ca 0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1cm5 h THR 359 Cb 0.07 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1cm5 h THR 359 CO 0.00 0.07 0.00 -0.07 -0.25 0.00 0.00 175.52 175.27 1cm5 h LEU 360 N 0.00 0.00 0.00 3.87 -0.00 -1.45 -1.23 115.31 116.50 1cm5 h LEU 360 Ca -0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 57.88 57.42 1cm5 h LEU 360 Cb 0.28 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 40.87 1cm5 h LEU 360 CO 0.01 0.00 -2.55 -1.22 -0.00 0.00 0.00 178.44 174.68 1cm5 n TYR 361 N -2.84 0.00 -0.08 1.13 0.53 -0.01 -2.78 117.16 113.12 1cm5 n TYR 361 Ca 0.01 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 56.91 1cm5 n TYR 361 Cb 0.28 -1.00 0.33 0.00 -1.03 0.00 0.00 39.34 37.91 1cm5 n TYR 361 CO 0.00 0.00 0.00 1.79 -1.02 0.00 0.00 176.86 177.63 1cm5 h THR 362 N -0.91 1.16 0.00 -0.72 1.35 -1.04 -3.13 112.91 109.62 1cm5 h THR 362 Ca -0.70 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 1cm5 h THR 362 Cb 1.64 0.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1cm5 h THR 362 CO -0.40 0.17 -0.03 0.23 -0.25 0.00 0.00 175.52 175.25 1cm5 n MET 363 N -4.41 2.04 -0.25 4.72 2.81 -0.47 -4.68 117.12 116.88 1cm5 n MET 363 Ca 0.04 -1.59 0.03 0.00 -1.81 0.00 0.00 57.70 54.37 1cm5 n MET 363 Cb 0.10 -1.02 -0.01 0.00 -0.71 0.00 0.00 33.22 31.57 1cm5 n MET 363 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1cm5 n GLY 364 N -0.63 -1.62 3.76 3.03 0.00 -1.12 -4.89 105.19 103.73 1cm5 n GLY 364 Ca 0.04 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 1cm5 n GLY 364 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1cm5 s PRO 365 N -1.57 3.69 -0.16 1.61 0.02 -1.19 -4.21 135.00 133.19 1cm5 s PRO 365 Ca 0.00 2.14 -0.19 0.00 0.02 0.00 0.00 61.00 62.97 1cm5 s PRO 365 Cb 0.00 -2.56 0.05 0.00 0.02 0.00 0.00 34.50 32.01 1cm5 s PRO 365 CO 0.00 -0.72 0.52 0.45 -0.33 0.00 0.00 177.00 176.92 1cm5 s SER 366 N -0.87 -0.52 0.13 2.53 0.15 -1.26 -4.84 113.70 109.01 1cm5 s SER 366 Ca 0.62 0.93 -0.12 0.00 0.70 0.00 0.00 55.95 58.08 1cm5 s SER 366 Cb -0.38 0.95 -0.06 0.00 -1.71 0.00 0.00 66.02 64.82 1cm5 s SER 366 CO 0.47 -0.25 1.45 -0.65 1.20 0.00 0.00 173.24 175.45 1cm5 h PRO 367 N 4.93 0.87 -6.42 5.44 0.11 -1.87 -3.44 132.00 131.62 1cm5 h PRO 367 Ca -0.28 -0.48 -0.69 0.00 0.11 0.00 0.00 66.00 64.67 1cm5 h PRO 367 Cb 1.17 0.03 -0.23 0.00 0.11 0.00 0.00 31.00 32.08 1cm5 h PRO 367 CO 0.22 1.12 -0.78 -1.21 -0.21 0.00 0.00 178.00 177.13 1cm5 s GLU 368 N -4.34 2.35 0.78 1.05 0.41 -1.26 -3.82 118.70 113.88 1cm5 s GLU 368 Ca -0.11 -0.80 -0.11 0.00 -0.41 0.00 0.00 54.97 53.53 1cm5 s GLU 368 Cb 0.10 -2.31 0.07 0.00 -1.78 0.00 0.00 34.13 30.21 1cm5 s GLU 368 CO 0.87 0.59 1.11 -2.14 -0.49 0.00 0.00 175.26 175.21 1cm5 s PRO 369 N -0.99 2.06 -1.18 0.39 0.02 -1.26 -4.33 135.00 129.70 1cm5 s PRO 369 Ca 0.13 1.32 -0.16 0.00 0.02 0.00 0.00 61.00 62.31 1cm5 s PRO 369 Cb -0.11 -1.86 0.13 0.00 0.02 0.00 0.00 34.50 32.68 1cm5 s PRO 369 CO 0.02 -1.81 1.46 1.21 -0.33 0.00 0.00 177.00 177.56 1cm5 s ASN 370 N -3.04 6.92 -0.18 2.53 2.47 -0.45 -4.96 114.94 118.23 1cm5 s ASN 370 Ca 0.64 -2.64 -0.29 0.00 0.42 0.00 0.00 52.86 50.98 1cm5 s ASN 370 Cb -0.20 -2.45 -0.03 0.00 -1.45 0.00 0.00 41.25 37.12 1cm5 s ASN 370 CO 0.54 -0.94 1.52 -0.04 -3.72 0.00 0.00 177.10 174.47 1cm5 s MET 371 N 2.56 3.97 -0.19 0.43 -1.94 -1.26 -2.53 119.30 120.34 1cm5 s MET 371 Ca 0.44 1.73 -0.03 0.00 -1.71 0.00 0.00 55.69 56.12 1cm5 s MET 371 Cb -0.01 -3.96 -0.01 0.00 2.01 0.00 0.00 34.83 32.86 1cm5 s MET 371 CO -0.00 -1.07 -0.08 0.99 -0.01 0.00 0.00 175.02 174.85 1cm5 s THR 372 N 4.55 3.21 -0.26 2.05 2.01 0.07 -2.66 115.64 124.61 1cm5 s THR 372 Ca 0.67 -0.56 -0.21 0.00 0.31 0.00 0.00 61.69 61.90 1cm5 s THR 372 Cb -0.25 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.82 1cm5 s THR 372 CO 0.26 0.46 0.66 -0.63 -0.69 0.00 0.00 174.62 174.68 1cm5 s ILE 373 N 1.11 4.95 -0.82 1.82 -1.09 0.03 -0.39 121.20 126.81 1cm5 s ILE 373 Ca 0.01 1.16 -0.25 0.00 -2.23 0.00 0.00 60.65 59.34 1cm5 s ILE 373 Cb -0.15 -3.97 0.05 0.00 -1.58 0.00 0.00 42.46 36.81 1cm5 s ILE 373 CO -0.02 -0.02 1.28 -0.76 -1.23 0.00 0.00 174.94 174.20 1cm5 s LEU 374 N 2.58 3.55 0.35 2.97 1.43 -0.14 -1.38 118.68 128.04 1cm5 s LEU 374 Ca 0.27 -0.92 -0.25 0.00 -1.03 0.00 0.00 54.13 52.20 1cm5 s LEU 374 Cb -0.15 -2.53 -0.10 0.00 0.03 0.00 0.00 46.19 43.44 1cm5 s LEU 374 CO 0.09 -1.64 0.97 0.86 0.23 0.00 0.00 176.35 176.86 1cm5 s TRP 375 N 5.09 3.56 -0.14 0.29 -0.11 -0.05 -2.33 118.94 125.25 1cm5 s TRP 375 Ca 0.36 1.73 -0.20 0.00 1.22 0.00 0.00 56.10 59.22 1cm5 s TRP 375 Cb -0.07 -2.97 0.05 0.00 -1.50 0.00 0.00 33.47 28.98 1cm5 s TRP 375 CO 0.05 -0.03 0.51 0.45 -4.62 0.00 0.00 176.95 173.31 1cm5 s SER 376 N -1.63 -0.50 0.52 5.86 0.15 -1.26 0.35 113.70 117.18 1cm5 s SER 376 Ca 0.53 0.84 0.24 0.00 0.70 0.00 0.00 55.95 58.26 1cm5 s SER 376 Cb -0.19 0.86 1.43 0.00 -1.71 0.00 0.00 66.02 66.41 1cm5 s SER 376 CO 0.24 -0.29 2.10 -0.33 1.20 0.00 0.00 173.24 176.16 1cm5 h GLU 377 N 4.72 0.00 -0.02 5.44 5.08 -1.93 -2.26 114.58 125.61 1cm5 h GLU 377 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1cm5 h GLU 377 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1cm5 h GLU 377 CO 0.25 0.10 0.00 1.63 -1.00 0.00 0.00 179.01 179.99 1cm5 n LYS 378 N -3.89 1.16 -1.67 2.33 4.76 -1.26 -4.91 118.16 114.68 1cm5 n LYS 378 Ca -0.02 -0.23 -0.34 0.00 -2.87 0.00 0.00 58.31 54.85 1cm5 n LYS 378 Cb 0.19 -1.37 0.06 0.00 -1.84 0.00 0.00 35.03 32.07 1cm5 n LYS 378 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1cm5 s LEU 379 N -1.72 3.41 0.17 -0.35 1.43 -0.85 -4.92 118.68 115.86 1cm5 s LEU 379 Ca 0.35 2.22 -0.32 0.00 -1.03 0.00 0.00 54.13 55.35 1cm5 s LEU 379 Cb 0.16 -4.58 -0.11 0.00 0.03 0.00 0.00 46.19 41.70 1cm5 s LEU 379 CO 0.27 -1.89 1.68 -2.84 0.23 0.00 0.00 176.35 173.80 1cm5 s PRO 380 N -3.86 4.16 0.49 1.29 0.02 -1.26 -4.85 135.00 130.98 1cm5 s PRO 380 Ca 0.72 2.51 0.23 0.00 0.02 0.00 0.00 61.00 64.48 1cm5 s PRO 380 Cb -0.26 -3.20 1.28 0.00 0.02 0.00 0.00 34.50 32.34 1cm5 s PRO 380 CO 0.41 -0.72 1.92 1.25 -0.33 0.00 0.00 177.00 179.54 1cm5 h LEU 381 N 7.15 0.17 -0.91 -5.54 5.85 -1.91 0.59 115.31 120.70 1cm5 h LEU 381 Ca -0.43 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.32 1cm5 h LEU 381 Cb 1.20 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.17 1cm5 h LEU 381 CO 0.94 0.08 0.60 0.78 -0.34 0.00 0.00 178.44 180.50 1cm5 h ASN 382 N 0.17 1.03 0.11 1.25 2.35 -1.87 -0.99 115.58 117.64 1cm5 h ASN 382 Ca 0.37 -0.02 -0.26 0.00 -0.55 0.00 0.00 56.30 55.84 1cm5 h ASN 382 Cb 1.21 -0.25 0.02 0.00 0.05 0.00 0.00 38.32 39.35 1cm5 h ASN 382 CO -0.07 0.74 -1.03 0.15 -1.65 0.00 0.00 177.43 175.57 1cm5 h PHE 383 N 1.22 0.92 -0.49 1.19 3.57 -1.17 -2.73 116.94 119.45 1cm5 h PHE 383 Ca 0.34 -0.51 0.04 0.00 3.53 0.00 0.00 57.97 61.38 1cm5 h PHE 383 Cb -0.11 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.49 1cm5 h PHE 383 CO -0.01 1.34 0.24 0.87 -2.23 0.00 0.00 178.31 178.53 1cm5 h LYS 384 N 0.34 0.47 -0.42 1.11 1.57 -0.98 -1.13 116.57 117.53 1cm5 h LYS 384 Ca -0.12 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.54 1cm5 h LYS 384 Cb 1.68 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.88 1cm5 h LYS 384 CO 0.20 0.31 -0.12 0.87 -0.57 0.00 0.00 179.45 180.14 1cm5 h LYS 385 N 0.48 0.81 -0.52 3.15 1.57 -1.24 -2.36 116.57 118.46 1cm5 h LYS 385 Ca 0.22 -0.32 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 1cm5 h LYS 385 Cb 0.13 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1cm5 h LYS 385 CO -0.15 0.94 0.01 0.35 -0.57 0.00 0.00 179.45 180.03 1cm5 h PHE 386 N 0.63 0.92 -0.12 -1.35 3.57 -1.19 0.50 116.94 119.91 1cm5 h PHE 386 Ca 0.10 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1cm5 h PHE 386 Cb 0.65 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1cm5 h PHE 386 CO 0.05 0.84 0.04 0.00 -2.23 0.00 0.00 178.31 177.01 1cm5 h ALA 387 N 1.20 0.16 -0.95 2.41 0.00 -1.18 -1.05 119.26 119.85 1cm5 h ALA 387 Ca 0.15 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1cm5 h ALA 387 Cb 0.47 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1cm5 h ALA 387 CO 0.02 -0.24 0.62 0.00 0.00 0.00 0.00 179.25 179.65 1cm5 h ALA 388 N 0.87 1.43 -0.14 0.00 0.00 -1.14 -0.95 119.26 119.33 1cm5 h ALA 388 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1cm5 h ALA 388 Cb 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1cm5 h ALA 388 CO -0.00 0.44 0.09 -0.22 0.00 0.00 0.00 179.25 179.56 1cm5 h LYS 389 N 1.14 0.18 -0.78 0.00 3.11 -0.46 -0.57 116.57 119.20 1cm5 h LYS 389 Ca 0.40 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.22 1cm5 h LYS 389 Cb 0.12 -0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.27 1cm5 h LYS 389 CO -0.14 0.14 0.46 0.28 -2.81 0.00 0.00 179.45 177.37 1cm5 h VAL 390 N 0.17 1.22 -0.29 2.00 2.07 -0.51 0.14 116.25 121.04 1cm5 h VAL 390 Ca 0.05 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1cm5 h VAL 390 Cb -0.00 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1cm5 h VAL 390 CO -0.01 0.23 0.08 0.28 0.02 0.00 0.00 177.57 178.17 1cm5 h SER 391 N 1.07 0.44 -0.85 0.57 0.02 -0.67 0.30 113.55 114.43 1cm5 h SER 391 Ca 0.28 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1cm5 h SER 391 Cb -0.03 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 1cm5 h SER 391 CO -0.05 0.54 0.45 0.40 -1.14 0.00 0.00 176.83 177.03 1cm5 h ILE 392 N 0.31 1.25 0.06 3.27 2.04 -0.61 0.28 117.51 124.11 1cm5 h ILE 392 Ca 0.09 -0.64 -0.24 0.00 1.00 0.00 0.00 64.86 65.07 1cm5 h ILE 392 Cb 0.27 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1cm5 h ILE 392 CO -0.00 0.29 -1.10 0.44 0.00 0.00 0.00 178.15 177.78 1cm5 h ASP 393 N 1.20 0.25 0.00 1.72 3.32 -0.75 -3.42 116.42 118.73 1cm5 h ASP 393 Ca 0.30 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1cm5 h ASP 393 Cb 0.05 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1cm5 h ASP 393 CO -0.05 1.17 -0.69 0.35 -1.72 0.00 0.00 179.24 178.30 1cm5 n THR 394 N -3.49 0.00 -2.80 0.35 -2.24 0.10 -5.02 114.28 101.19 1cm5 n THR 394 Ca -0.05 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.54 1cm5 n THR 394 Cb 0.96 0.34 0.01 0.00 -2.10 0.00 0.00 70.33 69.53 1cm5 n THR 394 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1cm5 n SER 395 N -1.04 -5.01 -0.74 3.42 7.64 0.98 -4.54 113.62 114.33 1cm5 n SER 395 Ca 0.00 -0.12 0.08 0.00 1.01 0.00 0.00 58.87 59.84 1cm5 n SER 395 Cb 0.00 -4.14 0.12 0.00 -1.01 0.00 0.00 64.21 59.19 1cm5 n SER 395 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1cm5 n SER 396 N -2.17 2.70 -4.60 6.43 7.64 -1.26 -3.58 113.62 118.78 1cm5 n SER 396 Ca -0.13 -1.79 -0.25 0.00 1.01 0.00 0.00 58.87 57.71 1cm5 n SER 396 Cb 0.62 -0.13 -0.08 0.00 -1.01 0.00 0.00 64.21 63.61 1cm5 n SER 396 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1cm5 s LEU 397 N -1.20 3.06 0.10 -3.43 1.43 -1.26 -4.55 118.68 112.84 1cm5 s LEU 397 Ca 0.24 -0.63 0.07 0.00 -1.03 0.00 0.00 54.13 52.78 1cm5 s LEU 397 Cb 0.15 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 1cm5 s LEU 397 CO 0.21 0.05 -0.17 0.00 0.23 0.00 0.00 176.35 176.67 1cm5 s GLN 398 N -3.25 1.02 -0.03 1.70 -2.07 -1.09 -3.39 119.66 112.56 1cm5 s GLN 398 Ca 0.28 -1.13 0.07 0.00 -1.82 0.00 0.00 55.36 52.76 1cm5 s GLN 398 Cb -0.07 -1.12 -0.02 0.00 -1.09 0.00 0.00 33.01 30.71 1cm5 s GLN 398 CO 0.17 0.25 -0.24 0.71 -1.32 0.00 0.00 175.29 174.86 1cm5 s TYR 399 N -1.44 2.23 -0.01 9.60 1.51 0.24 -0.79 117.35 128.69 1cm5 s TYR 399 Ca 0.05 -0.51 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 1cm5 s TYR 399 Cb -0.09 -1.45 0.00 0.00 -0.11 0.00 0.00 41.96 40.32 1cm5 s TYR 399 CO 0.04 -0.10 -0.05 -1.21 -1.11 0.00 0.00 175.55 173.12 1cm5 s GLU 400 N -0.42 0.52 -0.63 -0.62 2.02 -0.48 -0.00 118.70 119.09 1cm5 s GLU 400 Ca 0.05 -0.17 -0.26 0.00 0.02 0.00 0.00 54.97 54.61 1cm5 s GLU 400 Cb -0.11 -0.52 -0.09 0.00 0.10 0.00 0.00 34.13 33.51 1cm5 s GLU 400 CO 0.01 0.07 2.36 1.21 0.02 0.00 0.00 175.26 178.93 1cm5 s ASN 401 N 0.12 4.30 0.34 -0.19 3.84 -0.37 -0.87 114.94 122.11 1cm5 s ASN 401 Ca -0.01 0.58 0.15 0.00 0.21 0.00 0.00 52.86 53.79 1cm5 s ASN 401 Cb -0.05 -2.52 0.57 0.00 -0.55 0.00 0.00 41.25 38.70 1cm5 s ASN 401 CO -0.00 -3.23 1.71 -0.78 -2.79 0.00 0.00 177.10 172.01 1cm5 h ASP 402 N 16.44 0.00 0.78 -4.21 3.58 -0.39 -1.85 116.42 130.77 1cm5 h ASP 402 Ca -0.14 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.31 1cm5 h ASP 402 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 1cm5 h ASP 402 CO 1.11 0.47 0.00 0.44 -2.88 0.00 0.00 179.24 178.38 1cm5 h ASP 403 N 0.00 0.00 0.00 2.28 3.32 -1.87 -1.99 116.42 118.16 1cm5 h ASP 403 Ca -0.00 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.63 1cm5 h ASP 403 Cb 0.93 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.41 1cm5 h ASP 403 CO 0.06 0.00 -2.45 -0.11 -1.72 0.00 0.00 179.24 175.02 1cm5 n LEU 404 N -2.44 2.31 -0.00 1.55 7.94 -0.96 -4.55 117.00 120.85 1cm5 n LEU 404 Ca 0.02 0.14 -0.17 0.00 -1.11 0.00 0.00 56.01 54.88 1cm5 n LEU 404 Cb 0.24 -0.81 -0.10 0.00 0.53 0.00 0.00 43.42 43.28 1cm5 n LEU 404 CO 0.21 0.70 0.26 0.24 -1.11 0.00 0.00 177.39 177.69 1cm5 h MET 405 N -0.57 0.49 -0.19 1.96 2.86 -1.36 -2.99 114.93 115.13 1cm5 h MET 405 Ca -0.63 -0.49 0.05 0.00 -2.06 0.00 0.00 59.70 56.58 1cm5 h MET 405 Cb 1.70 0.13 -0.05 0.00 0.06 0.00 0.00 31.60 33.43 1cm5 h MET 405 CO -0.28 1.13 -0.16 -0.09 1.06 0.00 0.00 176.91 178.57 1cm5 h ARG 406 N 0.04 -0.16 -0.29 1.72 2.43 -1.60 -0.94 114.38 115.58 1cm5 h ARG 406 Ca -0.07 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 1cm5 h ARG 406 Cb 1.33 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 1cm5 h ARG 406 CO 0.13 -0.11 -0.21 -1.35 -1.51 0.00 0.00 179.97 176.92 1cm5 h PRO 407 N -0.17 0.54 -0.83 0.20 0.11 -1.77 0.78 132.00 130.86 1cm5 h PRO 407 Ca 0.11 -0.19 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 1cm5 h PRO 407 Cb 0.34 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.37 1cm5 h PRO 407 CO -0.29 0.72 0.44 0.22 -0.21 0.00 0.00 178.00 178.88 1cm5 h ASP 408 N 0.48 1.05 0.70 -2.05 3.58 -1.25 -2.75 116.42 116.17 1cm5 h ASP 408 Ca 0.08 -0.10 -0.19 0.00 0.42 0.00 0.00 57.03 57.24 1cm5 h ASP 408 Cb 0.63 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.38 1cm5 h ASP 408 CO 0.04 0.85 -1.43 -0.26 -2.88 0.00 0.00 179.24 175.57 1cm5 h PHE 409 N 1.17 0.00 -5.74 0.28 0.04 -1.01 -3.48 116.94 108.20 1cm5 h PHE 409 Ca 0.29 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.71 1cm5 h PHE 409 Cb 0.05 0.00 0.15 0.00 2.20 0.00 0.00 35.95 38.35 1cm5 h PHE 409 CO 0.01 0.67 -0.77 -1.71 -0.60 0.00 0.00 178.31 175.90 1cm5 n ASN 410 N -2.94 -2.23 -3.71 2.17 4.05 0.27 -5.00 115.26 107.87 1cm5 n ASN 410 Ca -0.10 -0.65 -0.13 0.00 0.45 0.00 0.00 54.58 54.15 1cm5 n ASN 410 Cb 0.88 -4.95 -0.09 0.00 1.23 0.00 0.00 39.78 36.85 1cm5 n ASN 410 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1cm5 s ASN 411 N -4.28 -0.51 -0.17 1.20 3.84 -1.04 -5.04 114.94 108.93 1cm5 s ASN 411 Ca 0.05 0.99 0.16 0.00 0.21 0.00 0.00 52.86 54.26 1cm5 s ASN 411 Cb -0.02 1.00 0.57 0.00 -0.55 0.00 0.00 41.25 42.24 1cm5 s ASN 411 CO 0.74 -0.17 1.47 -0.90 -2.79 0.00 0.00 177.10 175.45 1cm5 n ASP 412 N 2.83 4.13 -2.42 -4.21 3.85 -1.26 -4.56 116.55 114.92 1cm5 n ASP 412 Ca -0.13 -2.89 -0.14 0.00 -0.71 0.00 0.00 54.79 50.91 1cm5 n ASP 412 Cb 0.57 -0.54 0.03 0.00 -1.35 0.00 0.00 41.12 39.83 1cm5 n ASP 412 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1cm5 n ASP 413 N -0.17 3.39 -4.95 -1.12 2.03 -1.26 -4.93 116.55 109.53 1cm5 n ASP 413 Ca 0.22 -3.02 -0.23 0.00 0.52 0.00 0.00 54.79 52.27 1cm5 n ASP 413 Cb 0.90 -0.42 -0.02 0.00 -0.72 0.00 0.00 41.12 40.86 1cm5 n ASP 413 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1cm5 s TYR 414 N -3.64 3.47 0.13 -0.67 -0.85 -1.26 -2.21 117.35 112.32 1cm5 s TYR 414 Ca 0.40 0.16 0.04 0.00 -0.52 0.00 0.00 57.07 57.15 1cm5 s TYR 414 Cb 0.38 -1.72 -0.04 0.00 0.38 0.00 0.00 41.96 40.96 1cm5 s TYR 414 CO -0.01 0.35 -0.09 0.00 -1.52 0.00 0.00 175.55 174.27 1cm5 s ALA 415 N -2.03 1.29 -0.32 9.51 0.00 0.11 -4.83 121.76 125.49 1cm5 s ALA 415 Ca 0.36 -1.41 -0.20 0.00 0.00 0.00 0.00 51.96 50.72 1cm5 s ALA 415 Cb -0.10 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 1cm5 s ALA 415 CO 0.31 -0.11 0.60 0.42 0.00 0.00 0.00 175.76 176.98 1cm5 s ILE 416 N -3.22 4.95 0.03 0.00 -1.09 -1.26 -1.35 121.20 119.26 1cm5 s ILE 416 Ca 0.14 0.71 -0.18 0.00 -2.23 0.00 0.00 60.65 59.08 1cm5 s ILE 416 Cb 0.02 -4.00 -0.06 0.00 -1.58 0.00 0.00 42.46 36.84 1cm5 s ILE 416 CO -0.01 -0.17 0.52 0.00 -1.23 0.00 0.00 174.94 174.05 1cm5 s ALA 417 N 2.57 3.60 0.00 9.38 0.00 0.13 -4.77 121.76 132.67 1cm5 s ALA 417 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.14 1cm5 s ALA 417 Cb -0.15 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.39 1cm5 s ALA 417 CO 0.13 0.37 0.00 0.00 0.00 0.00 0.00 175.76 176.25 1cm5 n ALA 418 N 2.00 0.00 -0.10 0.00 0.00 -1.26 -2.42 120.51 118.73 1cm5 n ALA 418 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.18 1cm5 n ALA 418 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 1cm5 n ALA 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cm5 n ALA 419 N 11.93 0.73 -1.95 0.00 0.00 -1.26 -4.74 120.51 125.22 1cm5 n ALA 419 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1cm5 n ALA 419 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1cm5 n ALA 419 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1cm5 n VAL 420 N -4.48 0.00 -3.31 0.00 0.24 -1.24 -4.92 118.33 104.63 1cm5 n VAL 420 Ca -0.24 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 61.62 1cm5 n VAL 420 Cb 0.54 0.39 -0.07 0.00 -1.47 0.00 0.00 33.84 33.23 1cm5 n VAL 420 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1cm5 s SER 421 N -0.69 6.17 0.34 -1.34 0.01 -1.02 -3.95 113.70 113.23 1cm5 s SER 421 Ca 0.00 -1.16 -0.26 0.00 1.31 0.00 0.00 55.95 55.84 1cm5 s SER 421 Cb 0.00 -2.22 -0.09 0.00 0.21 0.00 0.00 66.02 63.91 1cm5 s SER 421 CO 0.00 -0.73 1.00 -2.16 0.41 0.00 0.00 173.24 171.77 1cm5 s PRO 422 N 2.00 4.44 -0.15 12.44 0.04 -1.26 0.21 135.00 152.72 1cm5 s PRO 422 Ca 0.08 1.47 -0.18 0.00 0.04 0.00 0.00 61.00 62.41 1cm5 s PRO 422 Cb -0.22 -2.77 0.05 0.00 0.04 0.00 0.00 34.50 31.59 1cm5 s PRO 422 CO 0.09 0.12 0.49 0.00 0.04 0.00 0.00 177.00 177.74 1cm5 s MET 423 N -2.11 0.64 -0.19 4.56 0.23 -0.45 -4.91 119.30 117.06 1cm5 s MET 423 Ca 0.52 0.53 -0.29 0.00 -1.03 0.00 0.00 55.69 55.42 1cm5 s MET 423 Cb -0.22 0.31 -0.01 0.00 -1.53 0.00 0.00 34.83 33.37 1cm5 s MET 423 CO 0.28 -0.11 1.29 0.42 -2.03 0.00 0.00 175.02 174.87 1cm5 s ILE 424 N -0.09 4.21 -0.14 3.16 1.01 -1.26 0.09 121.20 128.19 1cm5 s ILE 424 Ca -0.03 1.45 -0.37 0.00 0.00 0.00 0.00 60.65 61.70 1cm5 s ILE 424 Cb -0.03 -4.00 -0.14 0.00 0.01 0.00 0.00 42.46 38.29 1cm5 s ILE 424 CO 0.02 -0.20 1.74 0.52 0.00 0.00 0.00 174.94 177.01 1cm5 n VAL 425 N 5.57 0.35 -0.70 2.92 0.31 -0.94 -1.60 118.33 124.23 1cm5 n VAL 425 Ca 0.14 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1cm5 n VAL 425 Cb 0.45 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 1cm5 n VAL 425 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1cm5 n GLY 426 N 4.03 1.52 0.00 2.92 0.00 -1.26 -4.79 105.19 107.60 1cm5 n GLY 426 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1cm5 n GLY 426 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cm5 n LYS 427 N -2.00 -0.36 -3.64 1.61 5.02 -0.63 -0.60 118.16 117.57 1cm5 n LYS 427 Ca 0.00 -0.43 -0.15 0.00 -2.02 0.00 0.00 58.31 55.71 1cm5 n LYS 427 Cb 0.00 -0.83 -0.07 0.00 -0.02 0.00 0.00 35.03 34.10 1cm5 n LYS 427 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1cm5 s GLN 428 N -0.08 0.84 0.25 1.97 0.74 -0.93 -2.01 119.66 120.44 1cm5 s GLN 428 Ca 0.00 0.18 -0.05 0.00 0.05 0.00 0.00 55.36 55.54 1cm5 s GLN 428 Cb 0.00 0.39 -0.02 0.00 1.10 0.00 0.00 33.01 34.48 1cm5 s GLN 428 CO 0.00 -0.23 0.33 0.00 -0.55 0.00 0.00 175.29 174.84 1cm5 s MET 429 N -0.98 1.49 0.04 1.67 0.23 0.01 -4.68 119.30 117.08 1cm5 s MET 429 Ca -0.10 -1.54 0.06 0.00 -1.03 0.00 0.00 55.69 53.08 1cm5 s MET 429 Cb -0.03 0.38 -0.02 0.00 -1.53 0.00 0.00 34.83 33.63 1cm5 s MET 429 CO 0.06 -0.57 -0.16 -0.65 -2.03 0.00 0.00 175.02 171.67 1cm5 s GLN 430 N -3.86 1.07 -0.57 3.16 -0.21 -1.07 -2.99 119.66 115.18 1cm5 s GLN 430 Ca 0.31 -0.82 -0.21 0.00 0.02 0.00 0.00 55.36 54.66 1cm5 s GLN 430 Cb 0.03 -1.12 0.07 0.00 1.00 0.00 0.00 33.01 32.99 1cm5 s GLN 430 CO 0.13 0.28 0.79 -0.06 -2.12 0.00 0.00 175.29 174.32 1cm5 s PHE 431 N -0.84 2.89 0.32 0.91 2.99 0.17 -4.71 117.98 119.70 1cm5 s PHE 431 Ca 0.03 -0.50 -0.29 0.00 0.00 0.00 0.00 56.93 56.17 1cm5 s PHE 431 Cb -0.08 -3.93 -0.12 0.00 0.00 0.00 0.00 43.02 38.89 1cm5 s PHE 431 CO 0.01 -1.31 1.53 0.34 -0.00 0.00 0.00 175.22 175.79 1cm5 n PHE 432 N 6.87 2.81 -0.43 0.36 7.35 -1.26 -2.01 117.46 131.14 1cm5 n PHE 432 Ca -0.05 0.35 0.00 0.00 -0.76 0.00 0.00 57.45 57.00 1cm5 n PHE 432 Cb 0.45 -2.55 0.00 0.00 0.35 0.00 0.00 39.48 37.73 1cm5 n PHE 432 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1cm5 n GLY 433 N 1.51 0.15 7.00 7.13 0.00 -0.93 -4.75 105.19 115.29 1cm5 n GLY 433 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1cm5 n GLY 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cm5 n ALA 434 N -0.19 0.00 -2.87 4.61 0.00 -1.26 -4.62 120.51 116.17 1cm5 n ALA 434 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1cm5 n ALA 434 Cb 0.28 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.65 1cm5 n ALA 434 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1cm5 s ARG 435 N 0.00 0.77 0.10 0.00 3.03 -1.26 -2.07 118.95 119.53 1cm5 s ARG 435 Ca 0.00 -0.64 0.03 0.00 2.03 0.00 0.00 55.73 57.15 1cm5 s ARG 435 Cb 0.00 0.33 -0.04 0.00 -1.03 0.00 0.00 34.95 34.21 1cm5 s ARG 435 CO 0.00 -0.24 0.15 0.00 -1.13 0.00 0.00 175.30 174.08 1cm5 s ALA 436 N -2.81 3.72 -0.82 7.88 0.00 0.13 -4.46 121.76 125.41 1cm5 s ALA 436 Ca -0.03 -1.02 -0.22 0.00 0.00 0.00 0.00 51.96 50.69 1cm5 s ALA 436 Cb 0.00 -1.56 0.08 0.00 0.00 0.00 0.00 23.12 21.65 1cm5 s ALA 436 CO -0.05 0.69 1.13 1.21 0.00 0.00 0.00 175.76 178.73 1cm5 s ASN 437 N -2.68 6.38 0.23 0.00 3.84 -0.30 -0.35 114.94 122.07 1cm5 s ASN 437 Ca 0.32 -1.37 -0.01 0.00 0.21 0.00 0.00 52.86 52.01 1cm5 s ASN 437 Cb -0.12 -2.45 0.25 0.00 -0.55 0.00 0.00 41.25 38.38 1cm5 s ASN 437 CO 0.25 -1.36 1.61 0.25 -2.79 0.00 0.00 177.10 175.06 1cm5 h LEU 438 N 11.42 0.57 -0.30 3.21 6.46 -1.72 -2.94 115.31 132.00 1cm5 h LEU 438 Ca -0.06 -0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.45 1cm5 h LEU 438 Cb 1.04 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.80 1cm5 h LEU 438 CO 1.20 0.90 0.14 0.00 -0.62 0.00 0.00 178.44 180.06 1cm5 h ALA 439 N 1.13 0.39 -0.06 1.25 0.00 -1.77 -2.25 119.26 117.96 1cm5 h ALA 439 Ca 0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1cm5 h ALA 439 Cb 0.87 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1cm5 h ALA 439 CO 0.07 -0.04 -0.15 -0.22 0.00 0.00 0.00 179.25 178.92 1cm5 h LYS 440 N 0.36 0.10 -0.63 0.00 3.64 -1.92 -1.51 116.57 116.60 1cm5 h LYS 440 Ca 0.10 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1cm5 h LYS 440 Cb 0.13 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1cm5 h LYS 440 CO -0.01 0.25 0.27 1.15 -2.27 0.00 0.00 179.45 178.84 1cm5 h THR 441 N 0.09 1.22 -0.54 1.00 2.02 -1.23 -1.00 112.91 114.47 1cm5 h THR 441 Ca 0.02 -0.65 -0.10 0.00 0.77 0.00 0.00 66.41 66.45 1cm5 h THR 441 Cb 0.32 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1cm5 h THR 441 CO 0.02 0.27 -0.04 -0.03 0.37 0.00 0.00 175.52 176.11 1cm5 h MET 442 N 0.91 0.98 -0.47 6.66 1.85 -0.92 -2.30 114.93 121.62 1cm5 h MET 442 Ca 0.22 -0.33 -0.05 0.00 -0.61 0.00 0.00 59.70 58.92 1cm5 h MET 442 Cb 0.14 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.07 1cm5 h MET 442 CO -0.02 1.00 0.07 -0.07 -0.40 0.00 0.00 176.91 177.50 1cm5 h LEU 443 N 0.86 0.69 -1.03 3.39 3.38 -1.12 -2.49 115.31 118.99 1cm5 h LEU 443 Ca 0.15 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1cm5 h LEU 443 Cb 0.59 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1cm5 h LEU 443 CO 0.04 0.71 0.09 1.88 0.09 0.00 0.00 178.44 181.24 1cm5 h TYR 444 N 0.71 0.82 -0.59 1.13 -1.99 -0.88 0.97 116.97 117.13 1cm5 h TYR 444 Ca 0.15 -0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.79 1cm5 h TYR 444 Cb 0.33 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 38.79 1cm5 h TYR 444 CO 0.02 0.71 0.34 0.00 -0.00 0.00 0.00 178.16 179.22 1cm5 h ALA 445 N 1.34 0.75 0.00 3.88 0.00 -0.99 0.28 119.26 124.52 1cm5 h ALA 445 Ca 0.16 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1cm5 h ALA 445 Cb 0.33 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1cm5 h ALA 445 CO 0.00 0.25 -0.71 0.82 0.00 0.00 0.00 179.25 179.62 1cm5 h ILE 446 N 0.79 1.40 -0.47 0.00 2.04 -1.17 -3.29 117.51 116.83 1cm5 h ILE 446 Ca 0.21 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 63.56 1cm5 h ILE 446 Cb 0.02 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1cm5 h ILE 446 CO -0.04 0.69 0.00 0.59 0.00 0.00 0.00 178.15 179.40 1cm5 n ASN 447 N -3.55 5.09 -3.56 1.72 3.02 0.30 -1.60 115.26 116.68 1cm5 n ASN 447 Ca -0.00 -2.96 -0.26 0.00 -0.03 0.00 0.00 54.58 51.33 1cm5 n ASN 447 Cb 0.73 -0.64 0.04 0.00 -0.61 0.00 0.00 39.78 39.30 1cm5 n ASN 447 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cm5 n GLY 448 N 0.23 -0.52 2.89 7.41 0.00 -0.17 -2.14 105.19 112.89 1cm5 n GLY 448 Ca 0.26 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1cm5 n GLY 448 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cm5 n GLY 449 N -1.70 0.98 3.67 -0.02 0.00 0.80 -3.14 105.19 105.79 1cm5 n GLY 449 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1cm5 n GLY 449 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cm5 s VAL 450 N -3.93 5.01 0.12 1.61 1.01 -0.91 -0.84 120.40 122.47 1cm5 s VAL 450 Ca 0.00 1.28 -0.31 0.00 0.00 0.00 0.00 61.98 62.95 1cm5 s VAL 450 Cb 0.00 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 1cm5 s VAL 450 CO 0.00 0.13 1.61 -0.62 0.00 0.00 0.00 175.10 176.21 1cm5 s ASP 451 N 1.11 6.60 0.33 3.32 -1.08 -0.50 -4.77 116.67 121.67 1cm5 s ASP 451 Ca 0.31 2.54 0.25 0.00 -0.52 0.00 0.00 52.55 55.14 1cm5 s ASP 451 Cb -0.16 -2.58 1.15 0.00 -1.46 0.00 0.00 42.92 39.87 1cm5 s ASP 451 CO 0.12 -0.85 1.76 1.05 0.52 0.00 0.00 175.17 177.76 1cm5 h GLU 452 N 7.57 0.00 0.00 4.34 9.09 -1.92 0.23 114.58 133.89 1cm5 h GLU 452 Ca -0.43 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 58.72 1cm5 h GLU 452 Cb 1.20 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.26 1cm5 h GLU 452 CO 0.92 0.00 -1.99 1.63 0.05 0.00 0.00 179.01 179.62 1cm5 n LYS 453 N -2.37 0.43 0.07 1.06 5.02 -1.26 -4.63 118.16 116.48 1cm5 n LYS 453 Ca 0.01 0.11 0.12 0.00 -2.02 0.00 0.00 58.31 56.53 1cm5 n LYS 453 Cb 0.17 -1.31 0.16 0.00 -0.02 0.00 0.00 35.03 34.02 1cm5 n LYS 453 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1cm5 h LEU 454 N -0.12 0.00 -0.70 -0.35 3.38 -1.95 -3.48 115.31 112.09 1cm5 h LEU 454 Ca -0.40 -0.18 -0.46 0.00 0.09 0.00 0.00 57.88 56.94 1cm5 h LEU 454 Cb 1.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.30 1cm5 h LEU 454 CO -0.10 0.09 -0.72 0.29 0.09 0.00 0.00 178.44 178.08 1cm5 n LYS 455 N -2.22 -5.53 -4.25 1.13 5.02 0.80 -4.98 118.16 108.13 1cm5 n LYS 455 Ca 0.03 0.63 -0.20 0.00 -2.02 0.00 0.00 58.31 56.75 1cm5 n LYS 455 Cb 0.46 -5.52 -0.12 0.00 -0.02 0.00 0.00 35.03 29.83 1cm5 n LYS 455 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cm5 s MET 456 N -6.49 1.03 -0.16 1.97 0.23 -1.25 -4.89 119.30 109.73 1cm5 s MET 456 Ca 0.62 -1.19 -0.29 0.00 -1.03 0.00 0.00 55.69 53.80 1cm5 s MET 456 Cb -0.31 -1.02 -0.03 0.00 -1.53 0.00 0.00 34.83 31.94 1cm5 s MET 456 CO 0.76 0.21 1.49 -1.14 -2.03 0.00 0.00 175.02 174.32 1cm5 s GLN 457 N -2.36 4.05 0.00 3.16 2.00 -1.26 -1.40 119.66 123.85 1cm5 s GLN 457 Ca 0.07 1.78 -0.05 0.00 -2.00 0.00 0.00 55.36 55.16 1cm5 s GLN 457 Cb -0.07 -3.93 -0.02 0.00 0.80 0.00 0.00 33.01 29.79 1cm5 s GLN 457 CO 0.03 -0.97 -0.10 0.28 -0.50 0.00 0.00 175.29 174.03 1cm5 n VAL 458 N 5.81 1.18 -1.45 1.34 0.31 -0.02 -4.95 118.33 120.54 1cm5 n VAL 458 Ca 0.16 0.26 -0.18 0.00 -0.01 0.00 0.00 64.34 64.57 1cm5 n VAL 458 Cb 0.44 -1.78 0.13 0.00 -0.91 0.00 0.00 33.84 31.73 1cm5 n VAL 458 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1cm5 n GLY 459 N 2.84 -1.57 3.73 2.92 0.00 -0.45 -4.94 105.19 107.72 1cm5 n GLY 459 Ca -0.06 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 1cm5 n GLY 459 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1cm5 n PRO 460 N -2.86 2.48 -1.98 1.61 -0.02 -1.26 -4.77 135.00 128.21 1cm5 n PRO 460 Ca 0.10 0.88 -0.42 0.00 -2.02 0.00 0.00 63.50 62.03 1cm5 n PRO 460 Cb 0.35 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.22 1cm5 n PRO 460 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1cm5 s LYS 461 N -1.21 4.03 0.23 -0.52 2.20 -1.26 -4.11 119.74 119.09 1cm5 s LYS 461 Ca 0.60 2.09 -0.11 0.00 -0.36 0.00 0.00 55.97 58.19 1cm5 s LYS 461 Cb -0.53 -4.03 -0.01 0.00 -1.51 0.00 0.00 37.83 31.75 1cm5 s LYS 461 CO 0.56 -1.03 0.42 -1.54 -0.36 0.00 0.00 175.35 173.39 1cm5 s SER 462 N 3.93 -0.05 0.08 1.43 1.04 -1.19 -5.05 113.70 113.89 1cm5 s SER 462 Ca 0.76 -0.97 -0.30 0.00 0.48 0.00 0.00 55.95 55.91 1cm5 s SER 462 Cb -0.32 0.55 -0.06 0.00 0.10 0.00 0.00 66.02 66.29 1cm5 s SER 462 CO 0.31 -1.08 1.14 -1.61 0.98 0.00 0.00 173.24 172.98 1cm5 s GLU 463 N -4.03 4.50 0.59 4.02 0.41 -1.26 -4.43 118.70 118.49 1cm5 s GLU 463 Ca 0.24 1.70 -0.17 0.00 -0.41 0.00 0.00 54.97 56.33 1cm5 s GLU 463 Cb 0.01 -3.35 -0.04 0.00 -1.78 0.00 0.00 34.13 28.97 1cm5 s GLU 463 CO 0.08 -0.13 1.08 -1.25 -0.49 0.00 0.00 175.26 174.55 1cm5 s PRO 464 N 0.66 3.27 0.05 0.39 0.04 -1.26 -4.35 135.00 133.80 1cm5 s PRO 464 Ca 0.55 1.34 -0.31 0.00 0.04 0.00 0.00 61.00 62.62 1cm5 s PRO 464 Cb -0.28 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.17 1cm5 s PRO 464 CO 0.31 -0.87 1.56 0.42 0.04 0.00 0.00 177.00 178.46 1cm5 s ILE 465 N -2.25 3.28 0.41 0.56 1.01 -0.63 -4.90 121.20 118.68 1cm5 s ILE 465 Ca 0.66 0.71 0.02 0.00 0.00 0.00 0.00 60.65 62.04 1cm5 s ILE 465 Cb -0.18 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 38.83 1cm5 s ILE 465 CO 0.34 -0.00 0.61 -0.54 0.00 0.00 0.00 174.94 175.34 1cm5 s LYS 466 N 2.53 3.09 0.00 2.79 -0.14 -1.26 -4.99 119.74 121.77 1cm5 s LYS 466 Ca 0.70 -0.63 0.00 0.00 -1.36 0.00 0.00 55.97 54.68 1cm5 s LYS 466 Cb -0.37 -2.64 0.00 0.00 -1.68 0.00 0.00 37.83 33.14 1cm5 s LYS 466 CO 0.30 -0.16 0.00 0.41 -0.76 0.00 0.00 175.35 175.15 1cm5 n GLY 467 N -1.94 2.89 0.00 -3.33 0.00 -1.26 -4.87 105.19 96.69 1cm5 n GLY 467 Ca 0.01 -1.61 0.14 0.00 0.00 0.00 0.00 46.02 44.55 1cm5 n GLY 467 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cm5 n ASP 468 N 0.00 0.00 -3.87 1.61 5.68 -1.26 -4.70 116.55 114.01 1cm5 n ASP 468 Ca 0.00 0.34 -0.20 0.00 -0.50 0.00 0.00 54.79 54.43 1cm5 n ASP 468 Cb 0.00 -0.45 -0.16 0.00 -1.14 0.00 0.00 41.12 39.37 1cm5 n ASP 468 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1cm5 s VAL 469 N -2.89 0.50 0.38 2.12 1.01 -1.26 -3.70 120.40 116.55 1cm5 s VAL 469 Ca 0.17 -0.08 -0.26 0.00 0.00 0.00 0.00 61.98 61.81 1cm5 s VAL 469 Cb 0.18 -0.54 -0.09 0.00 0.00 0.00 0.00 36.38 35.93 1cm5 s VAL 469 CO 0.49 0.22 1.16 -0.76 0.00 0.00 0.00 175.10 176.21 1cm5 s LEU 470 N 1.06 4.26 -0.14 3.92 1.02 -0.16 -5.01 118.68 123.63 1cm5 s LEU 470 Ca -0.09 2.32 0.02 0.00 0.02 0.00 0.00 54.13 56.40 1cm5 s LEU 470 Cb -0.14 -3.96 0.00 0.00 0.02 0.00 0.00 46.19 42.12 1cm5 s LEU 470 CO -0.01 -0.57 -0.18 0.21 0.02 0.00 0.00 176.35 175.82 1cm5 s ASN 471 N -1.10 3.45 0.16 2.29 3.84 -1.26 -4.70 114.94 117.62 1cm5 s ASN 471 Ca 0.55 -0.50 -0.21 0.00 0.21 0.00 0.00 52.86 52.91 1cm5 s ASN 471 Cb -0.30 -1.51 0.07 0.00 -0.55 0.00 0.00 41.25 38.95 1cm5 s ASN 471 CO 0.39 0.11 1.63 0.22 -2.79 0.00 0.00 177.10 176.65 1cm5 h TYR 472 N 7.12 -0.58 -0.60 0.43 3.20 -1.93 -1.66 116.97 122.95 1cm5 h TYR 472 Ca -0.29 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.62 1cm5 h TYR 472 Cb 1.20 0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.75 1cm5 h TYR 472 CO 0.49 -0.30 0.34 -0.44 -1.64 0.00 0.00 178.16 176.61 1cm5 h ASP 473 N -0.18 0.73 0.05 -2.11 3.32 -1.96 -0.35 116.42 115.90 1cm5 h ASP 473 Ca 0.17 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1cm5 h ASP 473 Cb 0.45 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1cm5 h ASP 473 CO -0.45 0.57 -0.02 -0.08 -1.72 0.00 0.00 179.24 177.55 1cm5 h GLU 474 N 0.83 -0.06 -0.46 3.56 4.81 -1.90 -2.48 114.58 118.88 1cm5 h GLU 474 Ca 0.22 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1cm5 h GLU 474 Cb -0.00 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 1cm5 h GLU 474 CO -0.04 0.46 0.24 0.28 -0.73 0.00 0.00 179.01 179.22 1cm5 h VAL 475 N -0.62 0.99 -0.36 0.32 2.07 -1.19 -1.24 116.25 116.22 1cm5 h VAL 475 Ca -0.01 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1cm5 h VAL 475 Cb 0.54 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1cm5 h VAL 475 CO 0.01 0.09 0.03 -0.03 0.02 0.00 0.00 177.57 177.69 1cm5 h MET 476 N 0.48 0.55 -0.39 1.57 1.85 -1.13 0.98 114.93 118.84 1cm5 h MET 476 Ca 0.20 -0.11 -0.11 0.00 -0.61 0.00 0.00 59.70 59.07 1cm5 h MET 476 Cb 0.08 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.01 1cm5 h MET 476 CO -0.12 0.55 -0.18 1.49 -0.40 0.00 0.00 176.91 178.25 1cm5 h GLU 477 N 0.53 0.82 -0.24 0.39 4.81 -0.91 -0.27 114.58 119.72 1cm5 h GLU 477 Ca 0.12 -0.35 -0.19 0.00 -0.13 0.00 0.00 59.36 58.80 1cm5 h GLU 477 Cb 0.29 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1cm5 h GLU 477 CO 0.01 0.98 -0.61 0.00 -0.73 0.00 0.00 179.01 178.66 1cm5 h ARG 478 N 0.62 0.80 -0.68 1.92 2.47 -0.92 -3.02 114.38 115.56 1cm5 h ARG 478 Ca 0.09 -0.54 -0.04 0.00 -1.26 0.00 0.00 59.98 58.23 1cm5 h ARG 478 Cb 0.73 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 29.10 1cm5 h ARG 478 CO 0.06 1.17 0.26 1.98 0.56 0.00 0.00 179.97 183.99 1cm5 h MET 479 N 0.59 1.00 -0.94 0.04 4.05 -0.69 -1.71 114.93 117.28 1cm5 h MET 479 Ca -0.00 -0.17 0.02 0.00 -0.28 0.00 0.00 59.70 59.26 1cm5 h MET 479 Cb 1.21 -0.17 -0.05 0.00 -0.80 0.00 0.00 31.60 31.79 1cm5 h MET 479 CO 0.13 0.82 0.62 0.22 0.23 0.00 0.00 176.91 178.93 1cm5 h ASP 480 N 0.98 1.05 -0.01 1.39 3.58 -0.98 -0.40 116.42 122.03 1cm5 h ASP 480 Ca 0.23 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.66 1cm5 h ASP 480 Cb 0.20 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.00 1cm5 h ASP 480 CO -0.02 0.75 0.00 -0.74 -2.88 0.00 0.00 179.24 176.36 1cm5 h HIS 481 N 1.24 0.02 0.00 0.28 2.76 -1.28 -2.67 115.15 115.50 1cm5 h HIS 481 Ca 0.35 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.51 1cm5 h HIS 481 Cb -0.10 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 28.86 1cm5 h HIS 481 CO -0.01 0.24 -0.05 0.74 -1.30 0.00 0.00 177.93 177.55 1cm5 h PHE 482 N -0.21 0.00 0.00 5.26 0.04 -0.93 -0.71 116.94 120.39 1cm5 h PHE 482 Ca 0.00 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.66 1cm5 h PHE 482 Cb 0.23 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 1cm5 h PHE 482 CO 0.00 0.05 -0.56 0.52 -0.60 0.00 0.00 178.31 177.72 1cm5 h MET 483 N 0.00 0.00 -0.23 1.51 2.86 -0.78 0.32 114.93 118.61 1cm5 h MET 483 Ca -0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1cm5 h MET 483 Cb 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1cm5 h MET 483 CO 0.01 0.56 -0.07 -0.44 1.06 0.00 0.00 176.91 178.03 1cm5 h ASP 484 N 0.00 0.47 -0.23 1.22 3.45 -0.82 -1.17 116.42 119.34 1cm5 h ASP 484 Ca -0.01 -0.38 -0.01 0.00 0.43 0.00 0.00 57.03 57.07 1cm5 h ASP 484 Cb 1.13 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.76 1cm5 h ASP 484 CO 0.07 0.74 0.12 -0.25 -1.57 0.00 0.00 179.24 178.35 1cm5 h TRP 485 N 0.19 0.32 -0.56 4.55 7.01 -1.17 -2.02 115.95 124.27 1cm5 h TRP 485 Ca 0.06 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.08 1cm5 h TRP 485 Cb 0.54 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.46 1cm5 h TRP 485 CO 0.05 0.29 0.32 1.25 -2.79 0.00 0.00 178.44 177.57 1cm5 h LEU 486 N 0.26 0.51 -0.75 0.65 5.85 -0.87 -1.77 115.31 119.19 1cm5 h LEU 486 Ca 0.08 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1cm5 h LEU 486 Cb 0.08 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1cm5 h LEU 486 CO -0.01 0.35 0.47 0.00 -0.34 0.00 0.00 178.44 178.90 1cm5 h ALA 487 N 1.27 0.99 -0.08 1.25 0.00 -0.99 0.20 119.26 121.89 1cm5 h ALA 487 Ca 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1cm5 h ALA 487 Cb 0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1cm5 h ALA 487 CO -0.12 0.24 -0.01 -0.22 0.00 0.00 0.00 179.25 179.14 1cm5 h LYS 488 N 0.90 0.16 -0.79 0.00 3.64 -0.91 -1.62 116.57 117.94 1cm5 h LYS 488 Ca 0.31 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 1cm5 h LYS 488 Cb 0.05 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 1cm5 h LYS 488 CO -0.12 0.44 0.34 1.96 -2.27 0.00 0.00 179.45 179.80 1cm5 h GLN 489 N -0.15 1.16 0.03 1.90 1.08 -1.14 -1.51 115.11 116.47 1cm5 h GLN 489 Ca 0.02 -0.19 -0.00 0.00 -1.45 0.00 0.00 58.65 57.03 1cm5 h GLN 489 Cb 0.38 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1cm5 h GLN 489 CO 0.01 0.92 -0.01 -0.92 -0.95 0.00 0.00 178.83 177.87 1cm5 h TYR 490 N 1.14 -0.03 -0.67 2.96 3.20 -0.92 -1.01 116.97 121.63 1cm5 h TYR 490 Ca 0.27 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.08 1cm5 h TYR 490 Cb 0.17 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1cm5 h TYR 490 CO 0.02 0.26 0.19 0.82 -1.64 0.00 0.00 178.16 177.81 1cm5 h ILE 491 N -0.32 1.26 -0.52 1.81 1.08 -1.25 -1.73 117.51 117.83 1cm5 h ILE 491 Ca -0.00 -0.91 0.00 0.00 -0.39 0.00 0.00 64.86 63.56 1cm5 h ILE 491 Cb 0.31 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 34.59 1cm5 h ILE 491 CO 0.01 0.35 0.34 0.74 -0.69 0.00 0.00 178.15 178.90 1cm5 h THR 492 N 0.99 1.14 -0.62 -0.27 2.02 -1.22 0.22 112.91 115.17 1cm5 h THR 492 Ca 0.21 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1cm5 h THR 492 Cb 0.33 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1cm5 h THR 492 CO -0.00 0.14 0.33 0.00 0.37 0.00 0.00 175.52 176.35 1cm5 h ALA 493 N 1.19 0.80 -0.19 6.16 0.00 -0.94 -2.25 119.26 124.02 1cm5 h ALA 493 Ca 0.19 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1cm5 h ALA 493 Cb -0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1cm5 h ALA 493 CO -0.04 0.33 -0.45 -0.07 0.00 0.00 0.00 179.25 179.02 1cm5 h LEU 494 N 0.85 0.52 -0.57 0.00 3.38 -0.88 -1.28 115.31 117.32 1cm5 h LEU 494 Ca 0.22 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1cm5 h LEU 494 Cb 0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1cm5 h LEU 494 CO -0.03 0.90 0.38 0.78 0.09 0.00 0.00 178.44 180.55 1cm5 h ASN 495 N 0.39 0.65 0.04 -0.43 2.35 -0.25 -0.93 115.58 117.41 1cm5 h ASN 495 Ca 0.03 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1cm5 h ASN 495 Cb 0.94 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.15 1cm5 h ASN 495 CO 0.08 0.47 -0.02 0.40 -1.65 0.00 0.00 177.43 176.72 1cm5 h ILE 496 N 0.77 1.12 -0.17 2.81 2.04 -1.28 -2.64 117.51 120.16 1cm5 h ILE 496 Ca 0.21 -0.52 0.05 0.00 1.00 0.00 0.00 64.86 65.60 1cm5 h ILE 496 Cb -0.09 1.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 1cm5 h ILE 496 CO -0.05 0.13 -0.14 0.40 0.00 0.00 0.00 178.15 178.49 1cm5 h ILE 497 N -0.28 0.60 0.00 -0.67 2.04 -0.94 -1.81 117.51 116.45 1cm5 h ILE 497 Ca -0.01 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 1cm5 h ILE 497 Cb 0.25 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1cm5 h ILE 497 CO 0.01 0.00 -0.30 0.45 0.00 0.00 0.00 178.15 178.31 1cm5 h HIS 498 N -0.16 0.00 -0.19 1.37 3.86 -1.24 0.14 115.15 118.93 1cm5 h HIS 498 Ca 0.11 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.28 1cm5 h HIS 498 Cb 0.32 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 1cm5 h HIS 498 CO -0.28 0.30 -0.02 -0.92 0.86 0.00 0.00 177.93 177.87 1cm5 h TYR 499 N 0.00 0.39 -0.22 2.45 3.20 -1.17 -1.87 116.97 119.75 1cm5 h TYR 499 Ca -0.00 -0.08 -0.13 0.00 3.14 0.00 0.00 58.73 61.66 1cm5 h TYR 499 Cb 0.90 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 1cm5 h TYR 499 CO 0.00 0.58 -0.40 0.52 -1.64 0.00 0.00 178.16 177.22 1cm5 h MET 500 N 0.09 0.51 -0.35 1.82 2.86 -1.05 -2.23 114.93 116.57 1cm5 h MET 500 Ca 0.05 -0.25 -0.13 0.00 -2.06 0.00 0.00 59.70 57.31 1cm5 h MET 500 Cb 0.44 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1cm5 h MET 500 CO 0.01 0.82 -0.29 1.25 1.06 0.00 0.00 176.91 179.77 1cm5 h HIS 501 N 0.42 0.86 -0.25 -0.22 2.76 -0.89 0.27 115.15 118.10 1cm5 h HIS 501 Ca 0.04 -0.22 -0.10 0.00 -2.20 0.00 0.00 60.37 57.89 1cm5 h HIS 501 Cb 0.88 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.63 1cm5 h HIS 501 CO 0.03 0.95 -0.28 -0.44 -1.30 0.00 0.00 177.93 176.89 1cm5 h ASP 502 N 0.64 0.51 0.02 3.26 5.19 -1.26 -0.38 116.42 124.40 1cm5 h ASP 502 Ca 0.08 -0.18 -0.13 0.00 -0.62 0.00 0.00 57.03 56.18 1cm5 h ASP 502 Cb 0.81 -0.14 0.01 0.00 0.18 0.00 0.00 39.33 40.19 1cm5 h ASP 502 CO 0.07 0.77 -0.52 0.50 -3.12 0.00 0.00 179.24 176.94 1cm5 h LYS 503 N 0.44 0.31 0.00 3.56 3.64 -1.02 -3.34 116.57 120.16 1cm5 h LYS 503 Ca 0.06 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1cm5 h LYS 503 Cb 0.71 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1cm5 h LYS 503 CO 0.05 1.07 -0.79 0.66 -2.27 0.00 0.00 179.45 178.18 1cm5 n TYR 504 N -4.30 0.00 -2.73 1.91 4.01 0.93 -4.71 117.16 112.27 1cm5 n TYR 504 Ca -0.11 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.54 1cm5 n TYR 504 Cb 0.64 -0.03 0.07 0.00 -0.31 0.00 0.00 39.34 39.71 1cm5 n TYR 504 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1cm5 n SER 505 N -1.41 -0.47 -4.69 7.72 2.88 -0.18 -4.62 113.62 112.84 1cm5 n SER 505 Ca 0.02 -2.74 -0.42 0.00 -1.33 0.00 0.00 58.87 54.40 1cm5 n SER 505 Cb 0.25 0.40 -0.03 0.00 -0.75 0.00 0.00 64.21 64.08 1cm5 n SER 505 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1cm5 s TYR 506 N -1.26 2.52 -1.16 0.66 5.04 -1.02 -4.76 117.35 117.38 1cm5 s TYR 506 Ca 0.26 0.43 -0.15 0.00 -2.44 0.00 0.00 57.07 55.17 1cm5 s TYR 506 Cb 0.41 -3.89 -0.06 0.00 0.35 0.00 0.00 41.96 38.76 1cm5 s TYR 506 CO -0.04 -3.54 2.20 0.39 -1.34 0.00 0.00 175.55 173.22 1cm5 n GLU 507 N 5.54 2.38 -0.14 4.97 4.71 -1.26 -4.81 120.64 132.02 1cm5 n GLU 507 Ca 0.15 -2.13 -0.05 0.00 -0.01 0.00 0.00 57.16 55.13 1cm5 n GLU 507 Cb 0.41 -2.98 0.02 0.00 -1.01 0.00 0.00 31.44 27.88 1cm5 n GLU 507 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1cm5 h ALA 508 N 6.59 0.11 0.00 0.62 0.00 -1.91 -0.44 119.26 124.23 1cm5 h ALA 508 Ca 0.55 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.58 1cm5 h ALA 508 Cb 0.54 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1cm5 h ALA 508 CO 1.84 -0.57 -0.17 0.66 0.00 0.00 0.00 179.25 181.01 1cm5 h SER 509 N -0.12 0.00 0.11 0.00 4.64 -1.87 -0.72 113.55 115.59 1cm5 h SER 509 Ca 0.22 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.36 1cm5 h SER 509 Cb 0.46 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1cm5 h SER 509 CO -0.54 0.17 -0.84 -0.07 -0.87 0.00 0.00 176.83 174.68 1cm5 h LEU 510 N 0.00 0.35 -2.12 5.97 4.07 -1.77 -3.30 115.31 118.51 1cm5 h LEU 510 Ca -0.00 -0.92 -0.01 0.00 0.08 0.00 0.00 57.88 57.03 1cm5 h LEU 510 Cb 0.31 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 41.93 1cm5 h LEU 510 CO 0.02 1.39 -0.05 0.24 -1.08 0.00 0.00 178.44 178.96 1cm5 h MET 511 N -0.49 0.00 0.00 1.13 2.86 -0.98 -0.88 114.93 116.57 1cm5 h MET 511 Ca -0.17 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1cm5 h MET 511 Cb 1.55 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.21 1cm5 h MET 511 CO 0.09 0.05 -0.01 0.00 1.06 0.00 0.00 176.91 178.10 1cm5 h ALA 512 N 1.95 1.01 -0.80 6.32 0.00 -1.21 -2.38 119.26 124.15 1cm5 h ALA 512 Ca -0.00 -0.01 -0.46 0.00 0.00 0.00 0.00 54.91 54.44 1cm5 h ALA 512 Cb 0.28 -0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.81 1cm5 h ALA 512 CO 0.01 0.01 0.39 1.28 0.00 0.00 0.00 179.25 180.93 1cm5 n LEU 513 N -3.11 6.08 -4.39 0.00 4.77 -0.34 -4.94 117.00 115.08 1cm5 n LEU 513 Ca -0.01 -3.89 -0.19 0.00 -0.03 0.00 0.00 56.01 51.89 1cm5 n LEU 513 Cb 0.23 -0.78 -0.10 0.00 -2.33 0.00 0.00 43.42 40.44 1cm5 n LEU 513 CO 0.25 1.28 -0.29 -1.00 -1.33 0.00 0.00 177.39 176.31 1cm5 s HIS 514 N -3.42 1.76 1.13 -1.77 3.76 -0.90 -1.34 115.29 114.50 1cm5 s HIS 514 Ca 0.55 -0.99 -0.17 0.00 -0.15 0.00 0.00 55.06 54.30 1cm5 s HIS 514 Cb 0.46 -1.09 0.25 0.00 1.11 0.00 0.00 32.58 33.32 1cm5 s HIS 514 CO 0.05 -0.07 1.10 -0.51 -0.85 0.00 0.00 174.74 174.46 1cm5 s ASP 515 N -3.40 1.53 0.15 1.40 -0.00 0.23 -4.94 116.67 111.64 1cm5 s ASP 515 Ca 0.34 0.84 -0.17 0.00 -0.00 0.00 0.00 52.55 53.57 1cm5 s ASP 515 Cb 0.08 -1.25 0.00 0.00 -0.00 0.00 0.00 42.92 41.74 1cm5 s ASP 515 CO 0.13 -3.77 1.81 -0.09 -0.00 0.00 0.00 175.17 173.25 1cm5 h ARG 516 N -2.34 0.48 -5.19 8.23 2.43 -1.94 -3.40 114.38 112.66 1cm5 h ARG 516 Ca -0.49 -0.03 -0.64 0.00 -0.81 0.00 0.00 59.98 58.01 1cm5 h ARG 516 Cb 1.31 -0.11 -0.22 0.00 -0.42 0.00 0.00 29.97 30.53 1cm5 h ARG 516 CO 0.44 0.31 -0.66 -0.51 -1.51 0.00 0.00 179.97 178.04 1cm5 s ASP 517 N -5.52 4.87 -0.09 -3.80 -0.00 -1.26 -5.10 116.67 105.77 1cm5 s ASP 517 Ca -0.13 -0.16 0.03 0.00 -0.00 0.00 0.00 52.55 52.29 1cm5 s ASP 517 Cb 0.10 -1.82 -0.01 0.00 -0.00 0.00 0.00 42.92 41.19 1cm5 s ASP 517 CO 0.72 0.10 -0.19 -0.69 -0.00 0.00 0.00 175.17 175.11 1cm5 s VAL 518 N 0.77 2.56 0.14 -1.27 1.01 -1.26 -4.91 120.40 117.43 1cm5 s VAL 518 Ca -0.00 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 1cm5 s VAL 518 Cb -0.14 -2.00 -0.07 0.00 0.00 0.00 0.00 36.38 34.16 1cm5 s VAL 518 CO 0.02 0.56 1.19 -0.63 0.00 0.00 0.00 175.10 176.23 1cm5 s ILE 519 N 0.00 3.78 -0.02 2.22 1.01 -0.85 -4.90 121.20 122.44 1cm5 s ILE 519 Ca -0.06 1.41 0.05 0.00 0.00 0.00 0.00 60.65 62.05 1cm5 s ILE 519 Cb -0.15 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.41 1cm5 s ILE 519 CO 0.05 0.18 -0.18 -0.13 0.00 0.00 0.00 174.94 174.86 1cm5 s ARG 520 N 0.26 1.59 0.13 2.79 0.52 -1.26 -0.81 118.95 122.17 1cm5 s ARG 520 Ca 0.55 -0.65 0.11 0.00 -0.52 0.00 0.00 55.73 55.21 1cm5 s ARG 520 Cb -0.31 -1.49 -0.04 0.00 0.52 0.00 0.00 34.95 33.63 1cm5 s ARG 520 CO 0.33 0.36 -0.26 0.95 0.02 0.00 0.00 175.30 176.70 1cm5 s THR 521 N -0.31 2.18 -0.70 0.02 -4.23 -1.16 -1.80 115.64 109.63 1cm5 s THR 521 Ca 0.04 -1.73 -0.14 0.00 -1.18 0.00 0.00 61.69 58.68 1cm5 s THR 521 Cb -0.08 -1.93 0.18 0.00 1.34 0.00 0.00 72.50 72.00 1cm5 s THR 521 CO 0.00 0.06 0.64 -0.32 -0.54 0.00 0.00 174.62 174.46 1cm5 s MET 522 N -2.05 3.28 -0.47 3.99 1.75 0.03 0.42 119.30 126.25 1cm5 s MET 522 Ca 0.13 -2.18 -0.29 0.00 -1.25 0.00 0.00 55.69 52.10 1cm5 s MET 522 Cb -0.10 -4.32 0.02 0.00 2.84 0.00 0.00 34.83 33.27 1cm5 s MET 522 CO 0.06 -1.29 1.30 0.00 -0.65 0.00 0.00 175.02 174.44 1cm5 s ALA 523 N 0.69 3.04 -0.21 4.11 0.00 -0.85 -1.07 121.76 127.47 1cm5 s ALA 523 Ca 0.12 -0.39 -0.08 0.00 0.00 0.00 0.00 51.96 51.61 1cm5 s ALA 523 Cb -0.18 -3.96 -0.04 0.00 0.00 0.00 0.00 23.12 18.94 1cm5 s ALA 523 CO -0.04 -2.45 0.09 0.00 0.00 0.00 0.00 175.76 173.36 1cm5 s GLY 525 N 0.74 1.94 -0.13 0.00 0.00 -0.88 -1.27 107.32 107.73 1cm5 s GLY 525 Ca 0.05 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.83 1cm5 s GLY 525 CO 0.02 -0.95 -0.20 -0.42 0.00 0.00 0.00 173.10 171.55 1cm5 s ILE 526 N -1.61 1.88 0.08 0.90 -1.09 -0.01 0.22 121.20 121.55 1cm5 s ILE 526 Ca 0.34 -0.87 0.06 0.00 -2.23 0.00 0.00 60.65 57.95 1cm5 s ILE 526 Cb -0.12 -1.67 -0.04 0.00 -1.58 0.00 0.00 42.46 39.05 1cm5 s ILE 526 CO 0.27 0.51 -0.08 0.00 -1.23 0.00 0.00 174.94 174.42 1cm5 s ALA 527 N 0.87 3.02 -0.53 9.38 0.00 0.53 -3.45 121.76 131.58 1cm5 s ALA 527 Ca -0.07 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1cm5 s ALA 527 Cb -0.15 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 21.96 1cm5 s ALA 527 CO -0.02 0.64 0.00 0.41 0.00 0.00 0.00 175.76 176.80 1cm5 n GLY 528 N 0.91 0.18 0.16 0.00 0.00 -1.26 -2.03 105.19 103.14 1cm5 n GLY 528 Ca -0.13 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 1cm5 n GLY 528 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cm5 h LEU 529 N 0.00 -0.34 -1.33 0.99 6.46 -1.83 -1.32 115.31 117.93 1cm5 h LEU 529 Ca -0.14 0.08 -0.06 0.00 -0.12 0.00 0.00 57.88 57.63 1cm5 h LEU 529 Cb 1.05 0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 41.15 1cm5 h LEU 529 CO 0.17 -0.14 -0.20 0.77 -0.62 0.00 0.00 178.44 178.42 1cm5 h SER 530 N -0.10 0.19 -0.43 1.25 4.64 -1.88 0.78 113.55 118.00 1cm5 h SER 530 Ca 0.10 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.29 1cm5 h SER 530 Cb 0.25 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1cm5 h SER 530 CO -0.23 0.41 -0.03 0.58 -0.87 0.00 0.00 176.83 176.69 1cm5 h VAL 531 N 0.18 1.27 -0.19 0.95 2.07 -1.75 -1.16 116.25 117.62 1cm5 h VAL 531 Ca 0.03 -1.09 -0.06 0.00 0.82 0.00 0.00 66.70 66.41 1cm5 h VAL 531 Cb 0.47 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1cm5 h VAL 531 CO 0.03 0.37 -0.10 0.00 0.02 0.00 0.00 177.57 177.89 1cm5 h ALA 532 N 0.89 0.27 -0.08 1.67 0.00 -0.80 -1.66 119.26 119.55 1cm5 h ALA 532 Ca 0.12 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1cm5 h ALA 532 Cb 0.54 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1cm5 h ALA 532 CO 0.03 0.11 0.05 0.00 0.00 0.00 0.00 179.25 179.43 1cm5 h ALA 533 N 0.69 0.10 -0.46 0.00 0.00 -0.84 -1.58 119.26 117.17 1cm5 h ALA 533 Ca 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1cm5 h ALA 533 Cb 0.59 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1cm5 h ALA 533 CO 0.03 -0.37 0.08 -0.44 0.00 0.00 0.00 179.25 178.55 1cm5 h ASP 534 N 0.06 0.66 -0.60 0.00 3.32 -1.24 -0.27 116.42 118.35 1cm5 h ASP 534 Ca 0.03 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1cm5 h ASP 534 Cb 0.05 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1cm5 h ASP 534 CO -0.00 0.67 0.26 0.28 -1.72 0.00 0.00 179.24 178.73 1cm5 h SER 535 N 0.68 0.81 -0.43 6.45 0.02 -1.03 0.65 113.55 120.71 1cm5 h SER 535 Ca 0.15 -0.16 -0.11 0.00 -0.84 0.00 0.00 61.79 60.83 1cm5 h SER 535 Cb 0.30 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1cm5 h SER 535 CO 0.00 0.75 -0.15 -0.07 -1.14 0.00 0.00 176.83 176.22 1cm5 h LEU 536 N 0.83 0.91 -0.41 5.07 3.38 -0.78 -1.74 115.31 122.56 1cm5 h LEU 536 Ca 0.20 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1cm5 h LEU 536 Cb 0.17 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1cm5 h LEU 536 CO -0.02 1.06 0.12 -1.28 0.09 0.00 0.00 178.44 178.41 1cm5 h SER 537 N 0.80 0.61 -0.52 -0.43 0.87 -0.70 0.33 113.55 114.52 1cm5 h SER 537 Ca 0.12 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1cm5 h SER 537 Cb 0.69 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 1cm5 h SER 537 CO 0.05 0.67 0.33 0.00 -0.53 0.00 0.00 176.83 177.35 1cm5 h ALA 538 N 0.97 0.67 -0.56 6.23 0.00 -0.75 0.19 119.26 126.01 1cm5 h ALA 538 Ca 0.13 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1cm5 h ALA 538 Cb 0.28 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1cm5 h ALA 538 CO -0.00 0.13 0.12 0.82 0.00 0.00 0.00 179.25 180.32 1cm5 h ILE 539 N 0.71 1.23 0.23 0.00 2.04 -1.04 0.68 117.51 121.35 1cm5 h ILE 539 Ca 0.19 -0.86 -0.30 0.00 1.00 0.00 0.00 64.86 64.89 1cm5 h ILE 539 Cb -0.05 0.68 0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1cm5 h ILE 539 CO -0.04 0.32 -1.33 0.50 0.00 0.00 0.00 178.15 177.60 1cm5 h LYS 540 N 0.83 0.50 0.00 2.37 3.64 -0.45 -3.39 116.57 120.07 1cm5 h LYS 540 Ca 0.18 -0.84 -0.04 0.00 -1.27 0.00 0.00 60.65 58.67 1cm5 h LYS 540 Cb 0.32 0.31 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1cm5 h LYS 540 CO 0.00 1.40 -2.02 0.66 -2.27 0.00 0.00 179.45 177.22 1cm5 n TYR 541 N -3.81 0.00 -3.28 1.91 4.02 0.63 -4.97 117.16 111.66 1cm5 n TYR 541 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 1cm5 n TYR 541 Cb 1.04 -0.55 0.00 0.00 -0.02 0.00 0.00 39.34 39.81 1cm5 n TYR 541 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1cm5 n ALA 542 N -2.30 0.00 -3.96 -0.72 0.00 0.23 -4.94 120.51 108.81 1cm5 n ALA 542 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.04 1cm5 n ALA 542 Cb 0.63 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.94 1cm5 n ALA 542 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1cm5 s LYS 543 N -0.36 1.61 -0.34 0.00 2.20 -0.78 -4.69 119.74 117.38 1cm5 s LYS 543 Ca 0.00 -1.86 -0.13 0.00 -0.36 0.00 0.00 55.97 53.62 1cm5 s LYS 543 Cb 0.00 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 33.01 1cm5 s LYS 543 CO 0.00 -0.96 0.24 0.08 -0.36 0.00 0.00 175.35 174.35 1cm5 s VAL 544 N 0.96 5.28 -0.21 4.02 1.01 -1.26 -0.89 120.40 129.31 1cm5 s VAL 544 Ca 0.10 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 1cm5 s VAL 544 Cb -0.20 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1cm5 s VAL 544 CO -0.07 -0.00 0.02 -1.59 0.00 0.00 0.00 175.10 173.46 1cm5 s LYS 545 N 1.74 3.64 0.31 2.72 -2.85 0.35 -0.99 119.74 124.66 1cm5 s LYS 545 Ca 0.06 -0.50 -0.28 0.00 -1.00 0.00 0.00 55.97 54.25 1cm5 s LYS 545 Cb -0.17 -3.14 -0.09 0.00 -2.06 0.00 0.00 37.83 32.37 1cm5 s LYS 545 CO 0.11 -0.02 1.10 -2.14 0.10 0.00 0.00 175.35 174.49 1cm5 s PRO 546 N 1.11 4.51 -0.36 1.78 0.02 -1.24 -0.76 135.00 140.06 1cm5 s PRO 546 Ca 0.03 1.77 -0.05 0.00 0.02 0.00 0.00 61.00 62.76 1cm5 s PRO 546 Cb -0.14 -3.04 0.06 0.00 0.02 0.00 0.00 34.50 31.40 1cm5 s PRO 546 CO 0.02 0.10 0.13 0.42 -0.33 0.00 0.00 177.00 177.34 1cm5 s ILE 547 N -1.26 3.63 0.16 2.83 -1.09 -0.08 -4.93 121.20 120.45 1cm5 s ILE 547 Ca 0.48 -1.38 0.03 0.00 -2.23 0.00 0.00 60.65 57.55 1cm5 s ILE 547 Cb -0.30 -3.16 -0.03 0.00 -1.58 0.00 0.00 42.46 37.38 1cm5 s ILE 547 CO 0.39 -0.31 0.28 -0.13 -1.23 0.00 0.00 174.94 173.94 1cm5 s ARG 548 N 1.34 3.41 0.37 2.79 0.52 -1.26 -1.74 118.95 124.38 1cm5 s ARG 548 Ca 0.00 -0.63 -0.00 0.00 -0.52 0.00 0.00 55.73 54.58 1cm5 s ARG 548 Cb -0.21 -2.94 0.07 0.00 0.52 0.00 0.00 34.95 32.39 1cm5 s ARG 548 CO 0.01 0.51 0.51 -0.40 0.02 0.00 0.00 175.30 175.95 1cm5 n ASP 549 N -0.60 0.68 -0.28 0.23 3.85 -0.79 -4.86 116.55 114.78 1cm5 n ASP 549 Ca -0.07 -1.58 0.26 0.00 -0.71 0.00 0.00 54.79 52.69 1cm5 n ASP 549 Cb 0.54 -0.33 0.60 0.00 -1.35 0.00 0.00 41.12 40.58 1cm5 n ASP 549 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1cm5 h GLU 550 N 0.00 0.24 -0.01 0.11 4.81 -2.00 0.33 114.58 118.04 1cm5 h GLU 550 Ca -0.17 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1cm5 h GLU 550 Cb 0.62 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1cm5 h GLU 550 CO 0.18 0.16 -0.02 -0.25 -0.73 0.00 0.00 179.01 178.35 1cm5 n ASP 551 N -4.45 1.48 0.00 1.04 8.00 -1.26 -4.94 116.55 116.43 1cm5 n ASP 551 Ca 0.23 -1.46 0.00 0.00 0.71 0.00 0.00 54.79 54.27 1cm5 n ASP 551 Cb 0.94 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 42.05 1cm5 n ASP 551 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cm5 n GLY 552 N 1.19 0.52 3.72 0.44 0.00 0.11 -5.04 105.19 106.14 1cm5 n GLY 552 Ca 0.18 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 1cm5 n GLY 552 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1cm5 s LEU 553 N 0.00 4.34 -0.54 0.99 2.96 -1.26 -4.75 118.68 120.42 1cm5 s LEU 553 Ca 0.00 1.29 -0.28 0.00 -0.22 0.00 0.00 54.13 54.92 1cm5 s LEU 553 Cb 0.00 -3.18 0.01 0.00 0.50 0.00 0.00 46.19 43.53 1cm5 s LEU 553 CO 0.00 -0.12 1.45 0.00 -1.32 0.00 0.00 176.35 176.35 1cm5 s ALA 554 N 0.74 2.80 -1.51 5.97 0.00 -1.26 -1.89 121.76 126.61 1cm5 s ALA 554 Ca 0.40 -0.59 0.16 0.00 0.00 0.00 0.00 51.96 51.92 1cm5 s ALA 554 Cb -0.19 -4.09 0.01 0.00 0.00 0.00 0.00 23.12 18.86 1cm5 s ALA 554 CO 0.20 -2.92 0.86 0.44 0.00 0.00 0.00 175.76 174.35 1cm5 n ILE 555 N 6.92 0.00 -3.63 0.00 -5.35 -0.71 -4.95 119.36 111.64 1cm5 n ILE 555 Ca 0.13 -0.36 -0.08 0.00 -0.27 0.00 0.00 62.75 62.17 1cm5 n ILE 555 Cb 0.49 1.21 -0.02 0.00 -1.74 0.00 0.00 39.64 39.58 1cm5 n ILE 555 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1cm5 s ASP 556 N -1.79 -0.38 -0.00 7.28 -1.08 -1.14 -4.41 116.67 115.16 1cm5 s ASP 556 Ca 0.14 -0.26 0.01 0.00 -0.52 0.00 0.00 52.55 51.92 1cm5 s ASP 556 Cb 0.13 0.59 -0.00 0.00 -1.46 0.00 0.00 42.92 42.17 1cm5 s ASP 556 CO 0.37 -1.03 -0.04 -0.36 0.52 0.00 0.00 175.17 174.63 1cm5 s PHE 557 N -3.63 0.35 -0.18 -5.34 0.40 -1.26 -0.91 117.98 107.41 1cm5 s PHE 557 Ca 0.07 -0.09 -0.02 0.00 -0.60 0.00 0.00 56.93 56.28 1cm5 s PHE 557 Cb -0.03 -0.23 -0.01 0.00 0.51 0.00 0.00 43.02 43.27 1cm5 s PHE 557 CO -0.04 -0.01 -0.08 -2.00 0.70 0.00 0.00 175.22 173.79 1cm5 s GLU 558 N -0.18 3.39 -0.19 0.44 2.12 0.06 -4.95 118.70 119.39 1cm5 s GLU 558 Ca 0.01 -0.64 -0.05 0.00 0.36 0.00 0.00 54.97 54.64 1cm5 s GLU 558 Cb -0.02 -2.85 -0.03 0.00 0.26 0.00 0.00 34.13 31.49 1cm5 s GLU 558 CO -0.00 -0.02 0.00 0.42 -0.54 0.00 0.00 175.26 175.12 1cm5 s ILE 559 N 0.99 4.02 -0.30 -3.70 1.01 -1.26 -0.49 121.20 121.46 1cm5 s ILE 559 Ca -0.01 -0.29 -0.07 0.00 0.00 0.00 0.00 60.65 60.28 1cm5 s ILE 559 Cb -0.15 -2.81 0.01 0.00 0.01 0.00 0.00 42.46 39.53 1cm5 s ILE 559 CO -0.00 0.44 0.09 -0.70 0.00 0.00 0.00 174.94 174.76 1cm5 s GLU 560 N 0.86 3.03 0.00 2.79 2.12 -0.07 -4.98 118.70 122.46 1cm5 s GLU 560 Ca 0.01 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 54.44 1cm5 s GLU 560 Cb -0.14 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.86 1cm5 s GLU 560 CO 0.02 -0.47 0.00 0.41 -0.54 0.00 0.00 175.26 174.67 1cm5 n GLY 561 N 4.86 1.55 3.96 -1.50 0.00 -1.26 -1.87 105.19 110.94 1cm5 n GLY 561 Ca -0.14 -1.89 -0.22 0.00 0.00 0.00 0.00 46.02 43.77 1cm5 n GLY 561 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cm5 s GLU 562 N -2.65 3.45 0.08 1.61 2.02 -1.26 -4.82 118.70 117.12 1cm5 s GLU 562 Ca 0.00 -0.67 -0.07 0.00 0.02 0.00 0.00 54.97 54.25 1cm5 s GLU 562 Cb 0.00 -2.85 -0.01 0.00 0.10 0.00 0.00 34.13 31.37 1cm5 s GLU 562 CO 0.00 0.38 0.15 1.52 0.02 0.00 0.00 175.26 177.33 1cm5 s TYR 563 N -2.04 0.21 0.11 1.61 1.13 -1.26 -4.61 117.35 112.51 1cm5 s TYR 563 Ca 0.35 -0.65 -0.31 0.00 -1.41 0.00 0.00 57.07 55.05 1cm5 s TYR 563 Cb -0.09 -0.12 -0.08 0.00 -1.10 0.00 0.00 41.96 40.57 1cm5 s TYR 563 CO 0.30 -0.50 1.43 -1.25 -2.51 0.00 0.00 175.55 173.02 1cm5 s PRO 564 N -3.76 4.29 0.01 -3.49 0.04 -1.26 -4.99 135.00 125.84 1cm5 s PRO 564 Ca 0.04 2.13 0.01 0.00 0.04 0.00 0.00 61.00 63.22 1cm5 s PRO 564 Cb 0.05 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 1cm5 s PRO 564 CO -0.10 -0.49 0.03 -0.65 0.04 0.00 0.00 177.00 175.83 1cm5 s GLN 565 N 1.27 2.87 0.33 4.56 -0.21 -1.26 -4.69 119.66 122.54 1cm5 s GLN 565 Ca 0.66 -0.58 -0.29 0.00 0.02 0.00 0.00 55.36 55.16 1cm5 s GLN 565 Cb -0.38 -2.73 -0.12 0.00 1.00 0.00 0.00 33.01 30.79 1cm5 s GLN 565 CO 0.30 0.63 1.51 0.34 -2.12 0.00 0.00 175.29 175.95 1cm5 n PHE 566 N 1.23 2.82 0.00 0.91 7.35 -1.26 -3.35 117.46 125.17 1cm5 n PHE 566 Ca -0.14 0.37 0.00 0.00 -0.76 0.00 0.00 57.45 56.93 1cm5 n PHE 566 Cb 0.53 -2.55 0.00 0.00 0.35 0.00 0.00 39.48 37.81 1cm5 n PHE 566 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1cm5 n GLY 567 N 1.31 0.62 0.87 7.13 0.00 -1.26 -4.41 105.19 109.44 1cm5 n GLY 567 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.13 1cm5 n GLY 567 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1cm5 n ASN 568 N 0.00 3.38 -3.95 1.61 3.02 -1.21 -2.61 115.26 115.50 1cm5 n ASN 568 Ca 0.00 -3.21 -0.30 0.00 -0.03 0.00 0.00 54.58 51.04 1cm5 n ASN 568 Cb 0.00 -0.56 0.02 0.00 -0.61 0.00 0.00 39.78 38.63 1cm5 n ASN 568 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1cm5 n ASN 569 N -0.76 -3.97 -4.18 6.41 5.15 -1.24 -4.94 115.26 111.73 1cm5 n ASN 569 Ca 0.24 -0.84 -0.36 0.00 -0.60 0.00 0.00 54.58 53.02 1cm5 n ASN 569 Cb 0.90 -3.66 -0.13 0.00 -0.53 0.00 0.00 39.78 36.36 1cm5 n ASN 569 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1cm5 s ASP 570 N -3.47 5.13 0.56 1.20 -1.08 -1.26 -4.99 116.67 112.77 1cm5 s ASP 570 Ca 0.58 -1.51 0.32 0.00 -0.52 0.00 0.00 52.55 51.42 1cm5 s ASP 570 Cb -0.30 -1.80 1.47 0.00 -1.46 0.00 0.00 42.92 40.84 1cm5 s ASP 570 CO 0.85 -0.38 1.84 -0.65 0.52 0.00 0.00 175.17 177.35 1cm5 h PRO 571 N 8.08 0.00 -0.46 4.34 0.11 -1.96 -1.41 132.00 140.70 1cm5 h PRO 571 Ca -0.19 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.00 1cm5 h PRO 571 Cb 1.06 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1cm5 h PRO 571 CO 0.61 0.00 0.31 0.00 -0.21 0.00 0.00 178.00 178.72 1cm5 h ARG 572 N 0.00 0.28 0.00 1.05 3.08 -1.98 -0.67 114.38 116.14 1cm5 h ARG 572 Ca 0.40 -0.02 -0.28 0.00 0.07 0.00 0.00 59.98 60.15 1cm5 h ARG 572 Cb 1.74 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 31.68 1cm5 h ARG 572 CO -0.00 0.19 -2.06 1.55 -1.07 0.00 0.00 179.97 178.57 1cm5 n VAL 573 N -4.47 1.07 -0.02 2.04 3.14 -0.60 -4.47 118.33 115.03 1cm5 n VAL 573 Ca 0.07 -0.44 0.02 0.00 -2.96 0.00 0.00 64.34 61.03 1cm5 n VAL 573 Cb 0.32 -1.09 0.37 0.00 -1.06 0.00 0.00 33.84 32.38 1cm5 n VAL 573 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1cm5 h ASP 574 N 0.00 0.51 0.36 6.55 3.32 -1.35 -0.92 116.42 124.89 1cm5 h ASP 574 Ca -0.42 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 56.54 1cm5 h ASP 574 Cb 1.68 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 41.09 1cm5 h ASP 574 CO -0.05 0.43 -0.28 0.44 -1.72 0.00 0.00 179.24 178.06 1cm5 h ASP 575 N 0.59 0.00 -0.17 6.45 3.32 -1.36 -0.94 116.42 124.30 1cm5 h ASP 575 Ca 0.15 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.00 1cm5 h ASP 575 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1cm5 h ASP 575 CO -0.02 0.28 -0.65 -0.07 -1.72 0.00 0.00 179.24 177.05 1cm5 h LEU 576 N 0.00 0.91 -0.34 1.55 3.38 -1.40 -0.28 115.31 119.14 1cm5 h LEU 576 Ca -0.00 -0.54 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 1cm5 h LEU 576 Cb 0.53 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1cm5 h LEU 576 CO 0.04 1.33 0.05 0.00 0.09 0.00 0.00 178.44 179.94 1cm5 h ALA 577 N 0.67 0.45 -0.72 1.53 0.00 -1.02 -1.08 119.26 119.10 1cm5 h ALA 577 Ca -0.02 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1cm5 h ALA 577 Cb 1.26 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1cm5 h ALA 577 CO 0.14 0.16 0.46 0.28 0.00 0.00 0.00 179.25 180.28 1cm5 h VAL 578 N 0.40 1.12 -0.50 0.00 2.07 -1.14 -2.35 116.25 115.85 1cm5 h VAL 578 Ca 0.10 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1cm5 h VAL 578 Cb 0.36 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1cm5 h VAL 578 CO 0.01 0.17 0.32 -0.78 0.02 0.00 0.00 177.57 177.30 1cm5 h ASP 579 N 0.90 0.59 -0.49 0.57 3.58 -0.62 -2.02 116.42 118.93 1cm5 h ASP 579 Ca 0.28 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.70 1cm5 h ASP 579 Cb -0.02 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.86 1cm5 h ASP 579 CO -0.10 0.44 0.30 -0.07 -2.88 0.00 0.00 179.24 176.93 1cm5 h LEU 580 N 0.68 0.59 -0.78 2.28 3.38 -0.81 0.10 115.31 120.74 1cm5 h LEU 580 Ca 0.18 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1cm5 h LEU 580 Cb -0.05 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1cm5 h LEU 580 CO -0.04 0.47 0.51 0.58 0.09 0.00 0.00 178.44 180.05 1cm5 h VAL 581 N 0.66 1.15 -0.32 1.22 2.07 -1.21 -2.12 116.25 117.69 1cm5 h VAL 581 Ca 0.18 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 1cm5 h VAL 581 Cb -0.01 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 1cm5 h VAL 581 CO -0.03 0.18 -0.05 -0.33 0.02 0.00 0.00 177.57 177.36 1cm5 h GLU 582 N 1.00 0.61 0.35 1.57 5.08 -0.84 -2.89 114.58 119.46 1cm5 h GLU 582 Ca 0.30 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1cm5 h GLU 582 Cb -0.04 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1cm5 h GLU 582 CO -0.09 0.77 -0.23 0.00 -1.00 0.00 0.00 179.01 178.46 1cm5 h ARG 583 N 0.39 -0.55 -0.85 2.33 3.08 -0.36 -2.22 114.38 116.20 1cm5 h ARG 583 Ca 0.09 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1cm5 h ARG 583 Cb 0.53 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 1cm5 h ARG 583 CO 0.03 -0.37 0.49 0.35 -1.07 0.00 0.00 179.97 179.40 1cm5 h PHE 584 N -0.57 1.13 -0.41 3.04 3.57 -1.48 -2.50 116.94 119.72 1cm5 h PHE 584 Ca -0.03 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1cm5 h PHE 584 Cb 0.48 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1cm5 h PHE 584 CO -0.10 0.76 0.27 1.98 -2.23 0.00 0.00 178.31 178.99 1cm5 h MET 585 N 1.17 0.53 0.00 1.11 4.05 -1.35 -1.68 114.93 118.77 1cm5 h MET 585 Ca 0.30 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.66 1cm5 h MET 585 Cb -0.02 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.65 1cm5 h MET 585 CO -0.05 0.35 -0.15 0.87 0.23 0.00 0.00 176.91 178.16 1cm5 h LYS 586 N 0.55 0.00 0.01 0.39 1.57 -1.09 -2.23 116.57 115.77 1cm5 h LYS 586 Ca 0.15 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1cm5 h LYS 586 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1cm5 h LYS 586 CO -0.03 0.15 -0.01 0.87 -0.57 0.00 0.00 179.45 179.86 1cm5 h LYS 587 N 0.00 -0.01 0.00 3.15 1.57 -0.90 -3.30 116.57 117.07 1cm5 h LYS 587 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1cm5 h LYS 587 Cb 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1cm5 h LYS 587 CO 0.02 0.80 -0.14 -0.84 -0.57 0.00 0.00 179.45 178.71 1cm5 h ILE 588 N -0.91 0.59 0.00 1.86 3.07 -1.34 -2.70 117.51 118.09 1cm5 h ILE 588 Ca -0.00 -0.65 -0.02 0.00 1.55 0.00 0.00 64.86 65.74 1cm5 h ILE 588 Cb 0.82 1.42 -0.00 0.00 -0.27 0.00 0.00 36.82 38.78 1cm5 h ILE 588 CO 0.00 0.14 -0.09 -0.61 -1.05 0.00 0.00 178.15 176.55 1cm5 h GLN 589 N 0.00 0.00 -0.00 0.16 4.15 -1.48 -2.61 115.11 115.32 1cm5 h GLN 589 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1cm5 h GLN 589 Cb 0.41 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.10 1cm5 h GLN 589 CO 0.02 0.09 -0.21 1.63 -1.93 0.00 0.00 178.83 178.42 1cm5 n LYS 590 N -4.27 0.45 -3.49 1.69 5.02 -1.02 -4.93 118.16 111.62 1cm5 n LYS 590 Ca -0.03 -0.19 -0.35 0.00 -2.02 0.00 0.00 58.31 55.72 1cm5 n LYS 590 Cb 0.17 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.62 1cm5 n LYS 590 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1cm5 s LEU 591 N -2.68 4.37 0.33 -0.35 1.43 -0.99 -5.06 118.68 115.73 1cm5 s LEU 591 Ca 0.21 0.92 -0.28 0.00 -1.03 0.00 0.00 54.13 53.95 1cm5 s LEU 591 Cb 0.19 -3.02 -0.10 0.00 0.03 0.00 0.00 46.19 43.29 1cm5 s LEU 591 CO 0.55 0.17 1.22 -1.00 0.23 0.00 0.00 176.35 177.51 1cm5 s HIS 592 N -1.37 3.20 0.12 0.29 3.76 -1.26 -4.97 115.29 115.05 1cm5 s HIS 592 Ca 0.33 1.53 0.07 0.00 -0.15 0.00 0.00 55.06 56.84 1cm5 s HIS 592 Cb -0.15 -3.50 -0.04 0.00 1.11 0.00 0.00 32.58 30.00 1cm5 s HIS 592 CO 0.18 -1.37 -0.16 0.95 -0.85 0.00 0.00 174.74 173.49 1cm5 s THR 593 N -1.21 1.44 0.31 1.30 -4.23 -1.26 -4.94 115.64 107.05 1cm5 s THR 593 Ca 0.50 -1.64 -0.30 0.00 -1.18 0.00 0.00 61.69 59.07 1cm5 s THR 593 Cb -0.36 -1.50 -0.12 0.00 1.34 0.00 0.00 72.50 71.87 1cm5 s THR 593 CO 0.46 -0.30 1.57 0.00 -0.54 0.00 0.00 174.62 175.81 1cm5 n TYR 594 N 0.73 2.84 -1.84 3.99 4.19 -1.26 -1.87 117.16 123.94 1cm5 n TYR 594 Ca -0.17 0.30 -0.13 0.00 3.31 0.00 0.00 57.90 61.21 1cm5 n TYR 594 Cb 0.56 -2.58 -0.03 0.00 0.49 0.00 0.00 39.34 37.78 1cm5 n TYR 594 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 1cm5 n ARG 595 N 1.85 -1.68 -3.30 2.98 0.63 -1.26 -2.09 116.66 113.79 1cm5 n ARG 595 Ca 0.07 0.71 -0.24 0.00 -0.92 0.00 0.00 57.85 57.47 1cm5 n ARG 595 Cb 0.37 -5.11 0.03 0.00 0.45 0.00 0.00 32.46 28.20 1cm5 n ARG 595 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1cm5 n ASP 596 N -1.06 -5.37 -4.70 6.15 8.00 -0.78 -4.92 116.55 113.87 1cm5 n ASP 596 Ca -0.14 -0.41 -0.42 0.00 0.71 0.00 0.00 54.79 54.53 1cm5 n ASP 596 Cb 0.51 -4.33 -0.03 0.00 -0.02 0.00 0.00 41.12 37.25 1cm5 n ASP 596 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cm5 s ALA 597 N -3.15 3.63 -0.20 2.24 0.00 -0.89 -4.93 121.76 118.47 1cm5 s ALA 597 Ca 0.41 1.08 -0.29 0.00 0.00 0.00 0.00 51.96 53.16 1cm5 s ALA 597 Cb -0.20 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.28 1cm5 s ALA 597 CO 0.51 -0.90 1.57 0.42 0.00 0.00 0.00 175.76 177.36 1cm5 s ILE 598 N 2.08 3.76 0.24 0.00 1.01 -0.74 -4.23 121.20 123.31 1cm5 s ILE 598 Ca 0.68 0.87 -0.30 0.00 0.00 0.00 0.00 60.65 61.89 1cm5 s ILE 598 Cb -0.36 -3.72 -0.11 0.00 0.01 0.00 0.00 42.46 38.28 1cm5 s ILE 598 CO 0.30 -0.26 1.53 -2.16 0.00 0.00 0.00 174.94 174.35 1cm5 s PRO 599 N 4.45 4.20 0.22 2.79 0.04 -1.26 -0.79 135.00 144.65 1cm5 s PRO 599 Ca 0.69 2.42 0.03 0.00 0.04 0.00 0.00 61.00 64.19 1cm5 s PRO 599 Cb -0.25 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 1cm5 s PRO 599 CO 0.28 -0.55 -0.01 0.95 0.04 0.00 0.00 177.00 177.71 1cm5 s THR 600 N 0.32 1.01 0.12 1.26 -4.23 -0.23 -4.82 115.64 109.07 1cm5 s THR 600 Ca 0.64 -2.03 0.07 0.00 -1.18 0.00 0.00 61.69 59.19 1cm5 s THR 600 Cb -0.45 -2.31 -0.04 0.00 1.34 0.00 0.00 72.50 71.05 1cm5 s THR 600 CO 0.41 -0.35 -0.17 -1.58 -0.54 0.00 0.00 174.62 172.39 1cm5 s GLN 601 N -3.86 1.08 -0.04 3.99 0.74 -1.26 -0.59 119.66 119.72 1cm5 s GLN 601 Ca 0.28 -1.22 -0.03 0.00 0.05 0.00 0.00 55.36 54.43 1cm5 s GLN 601 Cb 0.06 -1.13 0.01 0.00 1.10 0.00 0.00 33.01 33.05 1cm5 s GLN 601 CO 0.08 0.24 0.09 -1.54 -0.55 0.00 0.00 175.29 173.61 1cm5 s SER 602 N -2.27 -0.09 -1.04 6.67 1.04 -0.39 -0.26 113.70 117.36 1cm5 s SER 602 Ca 0.08 0.19 -0.11 0.00 0.48 0.00 0.00 55.95 56.60 1cm5 s SER 602 Cb -0.07 0.17 0.26 0.00 0.10 0.00 0.00 66.02 66.48 1cm5 s SER 602 CO 0.04 -0.05 1.03 -0.69 0.98 0.00 0.00 173.24 174.55 1cm5 s VAL 603 N 0.23 5.86 0.00 5.02 1.01 -0.45 -0.83 120.40 131.23 1cm5 s VAL 603 Ca -0.02 -3.12 -0.02 0.00 0.00 0.00 0.00 61.98 58.82 1cm5 s VAL 603 Cb -0.03 -4.58 -0.01 0.00 0.00 0.00 0.00 36.38 31.77 1cm5 s VAL 603 CO -0.01 -1.16 0.02 -0.22 0.00 0.00 0.00 175.10 173.73 1cm5 s LEU 604 N -0.74 1.97 0.00 3.92 2.96 -1.22 -2.10 118.68 123.46 1cm5 s LEU 604 Ca 0.28 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.99 1cm5 s LEU 604 Cb -0.10 0.20 0.00 0.00 0.50 0.00 0.00 46.19 46.79 1cm5 s LEU 604 CO -0.08 -0.18 0.00 0.35 -1.32 0.00 0.00 176.35 175.12 1cm5 n THR 605 N 2.22 0.00 -4.65 3.68 -2.24 -1.26 -4.22 114.28 107.81 1cm5 n THR 605 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1cm5 n THR 605 Cb 0.57 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1cm5 n THR 605 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1cm5 n ILE 606 N -1.47 0.00 1.68 2.28 2.08 -1.26 -1.79 119.36 120.88 1cm5 n ILE 606 Ca 0.00 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.35 1cm5 n ILE 606 Cb 0.18 0.00 0.18 0.00 -0.75 0.00 0.00 39.64 39.25 1cm5 n ILE 606 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 1cm5 n THR 607 N 0.00 0.13 0.30 1.39 -1.04 -0.68 -3.53 114.28 110.85 1cm5 n THR 607 Ca 0.00 -0.14 0.18 0.00 -2.04 0.00 0.00 64.05 62.05 1cm5 n THR 607 Cb 0.00 0.03 0.84 0.00 -1.82 0.00 0.00 70.33 69.38 1cm5 n THR 607 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1cm5 h SER 608 N 0.67 0.00 -0.49 8.00 0.02 -1.40 -1.37 113.55 118.97 1cm5 h SER 608 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1cm5 h SER 608 Cb 0.15 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 1cm5 h SER 608 CO 0.00 0.00 0.24 -0.55 -1.14 0.00 0.00 176.83 175.38 1cm5 h ASN 609 N 0.00 0.66 0.00 3.07 -1.07 -1.76 0.16 115.58 116.65 1cm5 h ASN 609 Ca 0.00 -0.07 -0.00 0.00 0.07 0.00 0.00 56.30 56.30 1cm5 h ASN 609 Cb 0.27 -0.17 0.00 0.00 -2.07 0.00 0.00 38.32 36.36 1cm5 h ASN 609 CO 0.00 0.58 -0.00 0.58 0.07 0.00 0.00 177.43 178.66 1cm5 h VAL 610 N 0.74 1.66 0.14 6.14 2.07 -1.54 0.18 116.25 125.63 1cm5 h VAL 610 Ca 0.18 -2.06 -0.01 0.00 0.82 0.00 0.00 66.70 65.63 1cm5 h VAL 610 Cb 0.10 3.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1cm5 h VAL 610 CO -0.02 0.53 -0.07 0.58 0.02 0.00 0.00 177.57 178.61 1cm5 h VAL 611 N -0.90 0.90 -0.51 2.57 2.07 -1.31 -0.33 116.25 118.74 1cm5 h VAL 611 Ca -0.00 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 1cm5 h VAL 611 Cb 0.87 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1cm5 h VAL 611 CO 0.00 0.04 0.02 1.88 0.02 0.00 0.00 177.57 179.53 1cm5 h TYR 612 N -0.26 0.89 -0.84 1.57 0.99 -0.86 -2.44 116.97 116.02 1cm5 h TYR 612 Ca -0.02 -0.12 -0.00 0.00 2.00 0.00 0.00 58.73 60.58 1cm5 h TYR 612 Cb 0.20 -0.25 -0.04 0.00 1.00 0.00 0.00 36.73 37.65 1cm5 h TYR 612 CO -0.05 0.81 0.51 0.78 -0.00 0.00 0.00 178.16 180.21 1cm5 h GLY 613 N 0.98 1.22 2.00 3.88 0.00 -1.27 -0.46 103.07 109.43 1cm5 h GLY 613 Ca 0.15 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 1cm5 h GLY 613 CO 0.02 0.49 -0.25 1.70 0.00 0.00 0.00 176.54 178.50 1cm5 h LYS 614 N 1.16 0.00 -0.23 4.80 3.64 -0.69 -2.57 116.57 122.68 1cm5 h LYS 614 Ca 0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1cm5 h LYS 614 Cb -0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1cm5 h LYS 614 CO -0.06 0.25 0.00 1.63 -2.27 0.00 0.00 179.45 179.00 1cm5 n LYS 615 N -4.18 2.32 -4.51 1.90 5.02 -0.73 -4.35 118.16 113.63 1cm5 n LYS 615 Ca -0.02 -1.97 -0.34 0.00 -2.02 0.00 0.00 58.31 53.96 1cm5 n LYS 615 Cb 0.31 -1.48 -0.12 0.00 -0.02 0.00 0.00 35.03 33.71 1cm5 n LYS 615 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1cm5 s THR 616 N -1.71 3.70 0.00 -0.18 2.01 -0.26 -4.87 115.64 114.33 1cm5 s THR 616 Ca 0.35 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.91 1cm5 s THR 616 Cb 0.21 -2.59 0.00 0.00 0.01 0.00 0.00 72.50 70.13 1cm5 s THR 616 CO 0.31 0.52 0.00 0.61 -0.69 0.00 0.00 174.62 175.36 1cm5 n GLY 617 N 3.31 -1.75 3.71 4.40 0.00 -1.26 -2.02 105.19 111.57 1cm5 n GLY 617 Ca -0.18 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 1cm5 n GLY 617 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1cm5 n ASN 618 N -2.81 2.91 -4.43 1.61 3.02 -1.26 -4.36 115.26 109.94 1cm5 n ASN 618 Ca 0.00 1.21 -0.26 0.00 -0.03 0.00 0.00 54.58 55.50 1cm5 n ASN 618 Cb 0.00 -1.50 -0.12 0.00 -0.61 0.00 0.00 39.78 37.55 1cm5 n ASN 618 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1cm5 s THR 619 N -1.10 2.36 0.58 3.41 -4.23 -0.95 -4.78 115.64 110.94 1cm5 s THR 619 Ca 0.55 -2.08 0.29 0.00 -1.18 0.00 0.00 61.69 59.27 1cm5 s THR 619 Cb -0.56 -2.15 0.40 0.00 1.34 0.00 0.00 72.50 71.54 1cm5 s THR 619 CO 0.62 -0.16 1.83 -0.65 -0.54 0.00 0.00 174.62 175.73 1cm5 h PRO 620 N 3.08 0.00 0.00 3.99 0.11 -1.89 -0.36 132.00 136.92 1cm5 h PRO 620 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1cm5 h PRO 620 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1cm5 h PRO 620 CO 0.49 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.88 1cm5 n ASP 621 N -3.74 0.33 0.00 -2.05 3.85 -1.26 -4.81 116.55 108.88 1cm5 n ASP 621 Ca 0.12 0.56 0.00 0.00 -0.71 0.00 0.00 54.79 54.76 1cm5 n ASP 621 Cb 0.82 -0.64 0.00 0.00 -1.35 0.00 0.00 41.12 39.95 1cm5 n ASP 621 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1cm5 n GLY 622 N 0.58 0.95 3.74 6.12 0.00 -0.15 -4.90 105.19 111.52 1cm5 n GLY 622 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1cm5 n GLY 622 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1cm5 s ARG 623 N -0.60 4.13 0.52 1.61 3.52 -1.25 -4.87 118.95 122.02 1cm5 s ARG 623 Ca 0.00 2.57 -0.17 0.00 -0.13 0.00 0.00 55.73 58.00 1cm5 s ARG 623 Cb 0.00 -3.06 -0.07 0.00 -1.56 0.00 0.00 34.95 30.26 1cm5 s ARG 623 CO 0.00 -0.67 1.00 1.03 -0.81 0.00 0.00 175.30 175.85 1cm5 s ARG 624 N 0.31 3.84 0.32 5.12 1.81 -1.26 -2.23 118.95 126.86 1cm5 s ARG 624 Ca 0.68 1.03 -0.29 0.00 -1.72 0.00 0.00 55.73 55.43 1cm5 s ARG 624 Cb -0.48 -2.12 -0.12 0.00 -0.45 0.00 0.00 34.95 31.78 1cm5 s ARG 624 CO 0.40 -0.37 1.47 0.00 -0.68 0.00 0.00 175.30 176.12 1cm5 n ALA 625 N -1.59 2.00 -0.00 2.13 0.00 -1.26 -2.32 120.51 119.46 1cm5 n ALA 625 Ca 0.07 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1cm5 n ALA 625 Cb 0.54 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1cm5 n ALA 625 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cm5 n GLY 626 N 1.36 2.42 3.76 0.00 0.00 -0.86 -4.93 105.19 106.95 1cm5 n GLY 626 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1cm5 n GLY 626 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cm5 s ALA 627 N -2.81 3.32 0.54 4.61 0.00 -0.98 -3.58 121.76 122.86 1cm5 s ALA 627 Ca 0.00 0.81 -0.22 0.00 0.00 0.00 0.00 51.96 52.55 1cm5 s ALA 627 Cb 0.00 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 1cm5 s ALA 627 CO 0.00 -0.12 1.34 -2.14 0.00 0.00 0.00 175.76 174.84 1cm5 s PRO 628 N -1.67 3.19 0.86 0.00 0.02 -1.26 -4.30 135.00 131.84 1cm5 s PRO 628 Ca 0.47 2.18 -0.12 0.00 0.02 0.00 0.00 61.00 63.56 1cm5 s PRO 628 Cb -0.29 -2.26 0.15 0.00 0.02 0.00 0.00 34.50 32.12 1cm5 s PRO 628 CO 0.36 -1.13 1.21 -0.06 -0.33 0.00 0.00 177.00 177.05 1cm5 s PHE 629 N -1.33 2.06 0.52 6.54 0.08 0.58 -4.91 117.98 121.52 1cm5 s PHE 629 Ca 0.71 0.35 -0.18 0.00 0.12 0.00 0.00 56.93 57.92 1cm5 s PHE 629 Cb -0.39 -3.72 -0.07 0.00 -0.57 0.00 0.00 43.02 38.27 1cm5 s PHE 629 CO 0.46 -2.17 1.03 0.20 -0.10 0.00 0.00 175.22 174.63 1cm5 s GLY 630 N -4.75 2.30 0.18 4.36 0.00 -1.26 -4.69 107.32 103.45 1cm5 s GLY 630 Ca 0.69 0.45 -0.30 0.00 0.00 0.00 0.00 44.72 45.55 1cm5 s GLY 630 CO 0.50 0.75 1.24 2.56 0.00 0.00 0.00 173.10 178.15 1cm5 s PRO 631 N -3.64 4.45 4.79 2.90 0.04 -1.26 -4.70 135.00 137.58 1cm5 s PRO 631 Ca 0.64 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.61 1cm5 s PRO 631 Cb -0.14 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1cm5 s PRO 631 CO 0.27 -0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.55 1cm5 n GLY 632 N 2.33 3.39 1.31 0.56 0.00 -1.26 -1.18 105.19 110.34 1cm5 n GLY 632 Ca 0.05 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.30 1cm5 n GLY 632 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cm5 n ALA 633 N 11.22 2.83 -1.49 4.61 0.00 0.81 -4.60 120.51 133.89 1cm5 n ALA 633 Ca 0.00 -1.24 -0.34 0.00 0.00 0.00 0.00 53.44 51.86 1cm5 n ALA 633 Cb 0.00 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 18.50 1cm5 n ALA 633 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1cm5 s ASN 634 N -0.88 4.88 0.70 0.00 -0.87 -0.32 -4.86 114.94 113.59 1cm5 s ASN 634 Ca 0.42 2.14 -0.12 0.00 -1.57 0.00 0.00 52.86 53.73 1cm5 s ASN 634 Cb 0.26 -2.57 0.01 0.00 -0.02 0.00 0.00 41.25 38.93 1cm5 s ASN 634 CO 0.23 -1.79 1.07 -2.84 -2.57 0.00 0.00 177.10 171.20 1cm5 s PRO 635 N -3.94 2.80 0.63 -0.60 0.02 -1.26 -4.46 135.00 128.19 1cm5 s PRO 635 Ca 0.70 1.11 -0.18 0.00 0.02 0.00 0.00 61.00 62.64 1cm5 s PRO 635 Cb -0.24 -1.97 -0.02 0.00 0.02 0.00 0.00 34.50 32.30 1cm5 s PRO 635 CO 0.41 -1.22 1.29 -1.64 -0.33 0.00 0.00 177.00 175.51 1cm5 s MET 636 N -4.73 2.64 -0.49 5.54 -1.94 -1.26 -4.71 119.30 114.35 1cm5 s MET 636 Ca 0.61 2.05 -0.46 0.00 -1.71 0.00 0.00 55.69 56.18 1cm5 s MET 636 Cb -0.16 -1.88 -0.19 0.00 2.01 0.00 0.00 34.83 34.60 1cm5 s MET 636 CO 0.51 -1.52 1.60 0.72 -0.01 0.00 0.00 175.02 176.31 1cm5 n HIS 637 N -1.81 1.67 -0.57 -0.03 -0.00 -1.26 -1.46 115.22 111.76 1cm5 n HIS 637 Ca 0.15 1.09 0.00 0.00 -0.00 0.00 0.00 57.72 58.96 1cm5 n HIS 637 Cb 0.48 -2.18 0.00 0.00 -0.00 0.00 0.00 29.99 28.29 1cm5 n HIS 637 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1cm5 n GLY 638 N 4.16 1.01 0.14 -1.41 0.00 -1.26 -4.88 105.19 102.95 1cm5 n GLY 638 Ca 0.32 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.35 1cm5 n GLY 638 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1cm5 h ARG 639 N 1.69 0.00 -5.92 1.61 3.08 -1.59 -3.40 114.38 109.85 1cm5 h ARG 639 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1cm5 h ARG 639 Cb 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 29.94 1cm5 h ARG 639 CO 0.00 0.58 0.81 0.16 -1.07 0.00 0.00 179.97 180.46 1cm5 s ASP 640 N -6.64 6.17 -0.03 7.04 -4.77 -1.26 -4.82 116.67 112.36 1cm5 s ASP 640 Ca 0.00 -0.71 0.09 0.00 -3.30 0.00 0.00 52.55 48.63 1cm5 s ASP 640 Cb 0.11 -2.49 0.24 0.00 -1.09 0.00 0.00 42.92 39.69 1cm5 s ASP 640 CO 0.74 -1.65 1.20 0.00 0.70 0.00 0.00 175.17 176.16 1cm5 n GLN 641 N 8.58 2.83 -0.95 2.11 6.02 -1.26 -4.68 117.38 130.02 1cm5 n GLN 641 Ca -0.00 -2.02 -0.08 0.00 -0.01 0.00 0.00 57.00 54.89 1cm5 n GLN 641 Cb 0.47 -1.27 0.25 0.00 1.02 0.00 0.00 30.24 30.71 1cm5 n GLN 641 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1cm5 n LYS 642 N 0.01 2.93 0.00 -1.09 5.02 -1.26 -5.06 118.16 118.70 1cm5 n LYS 642 Ca 0.10 -3.07 0.00 0.00 -2.02 0.00 0.00 58.31 53.32 1cm5 n LYS 642 Cb 0.44 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 1cm5 n LYS 642 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cm5 n GLY 643 N -0.62 -0.87 0.49 0.72 0.00 -1.26 -4.28 105.19 99.37 1cm5 n GLY 643 Ca 0.41 -1.68 -0.19 0.00 0.00 0.00 0.00 46.02 44.56 1cm5 n GLY 643 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cm5 h ALA 644 N 0.00 -1.15 -0.98 4.61 0.00 -1.15 -2.62 119.26 117.96 1cm5 h ALA 644 Ca 0.00 -0.22 0.20 0.00 0.00 0.00 0.00 54.91 54.88 1cm5 h ALA 644 Cb 0.00 0.58 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 1cm5 h ALA 644 CO 0.00 -1.17 0.61 0.28 0.00 0.00 0.00 179.25 178.98 1cm5 h VAL 645 N -1.10 0.70 0.14 0.00 2.07 -1.80 0.48 116.25 116.74 1cm5 h VAL 645 Ca -0.09 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1cm5 h VAL 645 Cb 0.90 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1cm5 h VAL 645 CO 0.07 0.12 -0.07 0.00 0.02 0.00 0.00 177.57 177.71 1cm5 h ALA 646 N 1.63 -0.19 -0.72 1.67 0.00 -1.72 -1.84 119.26 118.08 1cm5 h ALA 646 Ca 0.54 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 1cm5 h ALA 646 Cb 1.01 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1cm5 h ALA 646 CO -0.30 -0.42 0.19 0.66 0.00 0.00 0.00 179.25 179.39 1cm5 h SER 647 N -0.57 1.08 -0.67 0.00 4.64 -1.05 -2.26 113.55 114.71 1cm5 h SER 647 Ca -0.02 -0.22 -0.03 0.00 -0.47 0.00 0.00 61.79 61.05 1cm5 h SER 647 Cb 0.44 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 1cm5 h SER 647 CO 0.03 1.02 0.31 -0.07 -0.87 0.00 0.00 176.83 177.26 1cm5 h LEU 648 N 1.09 0.90 -0.67 5.97 3.38 -0.96 -2.46 115.31 122.56 1cm5 h LEU 648 Ca 0.23 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1cm5 h LEU 648 Cb 0.35 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1cm5 h LEU 648 CO -0.00 0.78 -0.07 0.74 0.09 0.00 0.00 178.44 179.97 1cm5 h THR 649 N 0.99 1.26 -0.11 0.22 2.02 -0.94 -1.08 112.91 115.27 1cm5 h THR 649 Ca 0.24 -1.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.21 1cm5 h THR 649 Cb 0.13 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1cm5 h THR 649 CO -0.03 0.42 0.03 0.28 0.37 0.00 0.00 175.52 176.60 1cm5 h SER 650 N 0.87 0.15 -0.71 4.18 0.02 -1.06 -2.38 113.55 114.61 1cm5 h SER 650 Ca 0.14 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 1cm5 h SER 650 Cb 0.61 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 1cm5 h SER 650 CO 0.04 0.31 0.22 0.58 -1.14 0.00 0.00 176.83 176.85 1cm5 h VAL 651 N -0.02 1.26 0.00 2.27 2.07 -1.39 -2.43 116.25 118.01 1cm5 h VAL 651 Ca 0.03 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1cm5 h VAL 651 Cb 0.21 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1cm5 h VAL 651 CO -0.00 0.35 -0.07 0.00 0.02 0.00 0.00 177.57 177.87 1cm5 h ALA 652 N 1.11 1.48 0.00 1.67 0.00 -1.09 -1.50 119.26 120.94 1cm5 h ALA 652 Ca 0.23 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1cm5 h ALA 652 Cb 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1cm5 h ALA 652 CO -0.01 0.09 -0.24 0.87 0.00 0.00 0.00 179.25 179.96 1cm5 h LYS 653 N 0.00 0.00 -6.50 0.00 1.57 -0.91 -3.38 116.57 107.36 1cm5 h LYS 653 Ca -0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1cm5 h LYS 653 Cb 0.17 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.53 1cm5 h LYS 653 CO 0.01 0.24 1.03 1.28 -0.57 0.00 0.00 179.45 181.44 1cm5 n LEU 654 N -3.87 3.76 -4.58 2.94 4.77 -0.57 -4.90 117.00 114.55 1cm5 n LEU 654 Ca -0.02 1.02 -0.41 0.00 -0.03 0.00 0.00 56.01 56.57 1cm5 n LEU 654 Cb 0.33 -1.50 -0.03 0.00 -2.33 0.00 0.00 43.42 39.89 1cm5 n LEU 654 CO 0.35 0.05 1.42 -2.16 -1.33 0.00 0.00 177.39 175.72 1cm5 s PRO 655 N 2.30 3.16 0.46 3.23 0.04 -1.26 -4.87 135.00 138.06 1cm5 s PRO 655 Ca 0.82 0.83 0.20 0.00 0.04 0.00 0.00 61.00 62.89 1cm5 s PRO 655 Cb -0.55 -4.20 1.12 0.00 0.04 0.00 0.00 34.50 30.91 1cm5 s PRO 655 CO 0.39 -2.08 1.98 0.35 0.04 0.00 0.00 177.00 177.67 1cm5 h PHE 656 N 12.57 0.00 0.00 0.56 3.57 -1.89 -1.07 116.94 130.68 1cm5 h PHE 656 Ca -0.29 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.21 1cm5 h PHE 656 Cb 1.13 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.87 1cm5 h PHE 656 CO 1.01 0.20 -0.00 0.00 -2.23 0.00 0.00 178.31 177.29 1cm5 h ALA 657 N 1.80 1.02 -0.10 2.41 0.00 -2.00 -1.08 119.26 121.31 1cm5 h ALA 657 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cm5 h ALA 657 Cb 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1cm5 h ALA 657 CO 0.03 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.94 1cm5 n TYR 658 N -3.11 0.13 -3.09 0.00 4.02 -0.45 -4.69 117.16 109.97 1cm5 n TYR 658 Ca -0.02 -0.25 -0.16 0.00 -0.01 0.00 0.00 57.90 57.45 1cm5 n TYR 658 Cb 0.12 -0.02 -0.01 0.00 -0.02 0.00 0.00 39.34 39.41 1cm5 n TYR 658 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1cm5 n ALA 659 N 0.21 1.39 0.23 -0.72 0.00 -0.45 -4.48 120.51 116.69 1cm5 n ALA 659 Ca 0.05 -2.97 0.15 0.00 0.00 0.00 0.00 53.44 50.67 1cm5 n ALA 659 Cb 0.25 -0.98 0.79 0.00 0.00 0.00 0.00 19.45 19.52 1cm5 n ALA 659 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1cm5 h LYS 660 N 3.05 0.00 -0.02 0.00 6.56 -1.22 -1.38 116.57 123.57 1cm5 h LYS 660 Ca 0.05 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 1cm5 h LYS 660 Cb 0.99 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.65 1cm5 h LYS 660 CO 0.42 0.00 0.00 -3.47 -2.06 0.00 0.00 179.45 174.34 1cm5 n ASP 661 N -2.54 0.77 0.00 0.86 4.64 0.64 -4.64 116.55 116.28 1cm5 n ASP 661 Ca -0.02 -1.29 0.00 0.00 -1.38 0.00 0.00 54.79 52.10 1cm5 n ASP 661 Cb 0.06 -0.01 0.00 0.00 -1.04 0.00 0.00 41.12 40.14 1cm5 n ASP 661 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1cm5 n GLY 662 N 1.07 2.83 2.75 0.27 0.00 -0.52 -3.63 105.19 107.96 1cm5 n GLY 662 Ca 0.21 -1.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.10 1cm5 n GLY 662 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cm5 s ILE 663 N -2.51 0.68 -0.01 -0.61 1.01 -1.26 -1.35 121.20 117.15 1cm5 s ILE 663 Ca 0.00 -0.81 -0.21 0.00 0.00 0.00 0.00 60.65 59.63 1cm5 s ILE 663 Cb 0.00 -1.24 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 1cm5 s ILE 663 CO 0.00 -0.31 0.62 -0.55 0.00 0.00 0.00 174.94 174.70 1cm5 s SER 664 N 1.77 6.98 -0.06 3.58 0.15 -0.89 -3.64 113.70 121.59 1cm5 s SER 664 Ca 0.01 1.18 -0.02 0.00 0.70 0.00 0.00 55.95 57.82 1cm5 s SER 664 Cb -0.17 -2.38 0.03 0.00 -1.71 0.00 0.00 66.02 61.79 1cm5 s SER 664 CO -0.12 0.06 0.02 -0.47 1.20 0.00 0.00 173.24 173.93 1cm5 s TYR 665 N 0.01 0.42 -0.48 3.44 5.04 -1.26 -0.13 117.35 124.38 1cm5 s TYR 665 Ca 0.32 0.01 -0.16 0.00 -2.44 0.00 0.00 57.07 54.80 1cm5 s TYR 665 Cb -0.18 -0.66 0.08 0.00 0.35 0.00 0.00 41.96 41.55 1cm5 s TYR 665 CO 0.18 -0.27 0.42 0.99 -1.34 0.00 0.00 175.55 175.53 1cm5 s THR 666 N 2.01 5.22 -0.25 4.34 2.01 -1.26 -0.87 115.64 126.84 1cm5 s THR 666 Ca 0.04 -1.12 -0.09 0.00 0.31 0.00 0.00 61.69 60.83 1cm5 s THR 666 Cb -0.12 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 1cm5 s THR 666 CO -0.04 -0.63 0.12 0.12 -0.69 0.00 0.00 174.62 173.49 1cm5 s PHE 667 N 1.66 3.18 -0.14 4.92 5.36 -0.65 -4.96 117.98 127.35 1cm5 s PHE 667 Ca 0.04 -0.10 0.02 0.00 -0.96 0.00 0.00 56.93 55.93 1cm5 s PHE 667 Cb -0.25 -2.26 0.01 0.00 -0.34 0.00 0.00 43.02 40.18 1cm5 s PHE 667 CO 0.06 -0.16 -0.20 -1.12 -1.46 0.00 0.00 175.22 172.34 1cm5 s SER 668 N 1.39 2.96 -0.02 6.13 0.01 -1.26 -0.89 113.70 122.02 1cm5 s SER 668 Ca 0.06 -0.57 0.04 0.00 1.31 0.00 0.00 55.95 56.79 1cm5 s SER 668 Cb -0.15 -1.37 -0.01 0.00 0.21 0.00 0.00 66.02 64.71 1cm5 s SER 668 CO 0.06 0.04 -0.14 -0.51 0.41 0.00 0.00 173.24 173.10 1cm5 s ILE 669 N 0.98 1.11 0.34 1.44 2.07 0.44 -0.32 121.20 127.26 1cm5 s ILE 669 Ca -0.04 -0.58 -0.28 0.00 -1.41 0.00 0.00 60.65 58.34 1cm5 s ILE 669 Cb -0.15 -0.94 -0.09 0.00 0.13 0.00 0.00 42.46 41.41 1cm5 s ILE 669 CO -0.04 0.32 1.17 0.68 -1.91 0.00 0.00 174.94 175.15 1cm5 s VAL 670 N -0.19 3.20 0.22 4.00 -7.23 -0.93 -1.94 120.40 117.52 1cm5 s VAL 670 Ca 0.03 1.13 -0.15 0.00 -1.81 0.00 0.00 61.98 61.17 1cm5 s VAL 670 Cb -0.07 -3.69 0.24 0.00 0.56 0.00 0.00 36.38 33.43 1cm5 s VAL 670 CO 0.00 0.21 1.59 -0.65 -0.31 0.00 0.00 175.10 175.94 1cm5 h PRO 671 N 3.27 -0.06 0.00 4.82 0.11 -1.88 -0.45 132.00 137.81 1cm5 h PRO 671 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1cm5 h PRO 671 Cb 1.22 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1cm5 h PRO 671 CO 0.65 -0.04 -0.00 -0.91 -0.21 0.00 0.00 178.00 177.49 1cm5 h ASN 672 N -0.06 0.00 0.76 -2.05 2.35 -1.93 -1.66 115.58 112.99 1cm5 h ASN 672 Ca 0.32 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.01 1cm5 h ASN 672 Cb 0.56 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 1cm5 h ASN 672 CO -0.78 0.00 -0.28 0.00 -1.65 0.00 0.00 177.43 174.73 1cm5 h ALA 673 N 2.00 1.08 0.00 -0.83 0.00 -1.33 -2.96 119.26 117.22 1cm5 h ALA 673 Ca -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1cm5 h ALA 673 Cb 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1cm5 h ALA 673 CO 0.00 0.35 -0.97 -0.07 0.00 0.00 0.00 179.25 178.56 1cm5 h LEU 674 N 0.00 0.00 0.00 0.00 3.38 -1.35 -3.41 115.31 113.93 1cm5 h LEU 674 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1cm5 h LEU 674 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1cm5 h LEU 674 CO 0.04 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.30 1cm5 n GLY 675 N 1.21 0.10 0.12 0.83 0.00 -1.12 -3.75 105.19 102.58 1cm5 n GLY 675 Ca -0.01 -1.39 0.06 0.00 0.00 0.00 0.00 46.02 44.68 1cm5 n GLY 675 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cm5 h LYS 676 N 0.00 0.00 -4.33 1.61 1.57 -1.88 -3.37 116.57 110.17 1cm5 h LYS 676 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1cm5 h LYS 676 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.16 1cm5 h LYS 676 CO 0.00 0.17 -0.62 0.16 -0.57 0.00 0.00 179.45 178.59 1cm5 s ASP 677 N -5.73 0.31 0.26 0.86 -4.77 -1.26 -5.08 116.67 101.26 1cm5 s ASP 677 Ca -0.00 -1.12 -0.02 0.00 -3.30 0.00 0.00 52.55 48.10 1cm5 s ASP 677 Cb 0.09 0.29 0.45 0.00 -1.09 0.00 0.00 42.92 42.65 1cm5 s ASP 677 CO 0.78 -0.72 1.82 0.44 0.70 0.00 0.00 175.17 178.19 1cm5 h ASP 678 N 2.89 0.77 -0.94 2.11 3.32 -1.99 -1.81 116.42 120.78 1cm5 h ASP 678 Ca -0.35 0.05 0.03 0.00 0.02 0.00 0.00 57.03 56.78 1cm5 h ASP 678 Cb 1.19 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.58 1cm5 h ASP 678 CO 0.59 0.43 0.62 -0.33 -1.72 0.00 0.00 179.24 178.83 1cm5 h GLU 679 N 0.87 1.18 -0.27 3.56 4.39 -1.99 0.14 114.58 122.46 1cm5 h GLU 679 Ca 0.43 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.90 1cm5 h GLU 679 Cb 0.39 -0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1cm5 h GLU 679 CO -0.25 0.78 -0.46 0.28 -1.16 0.00 0.00 179.01 178.20 1cm5 h VAL 680 N 1.22 1.29 -0.22 3.13 2.07 -1.81 -2.61 116.25 119.31 1cm5 h VAL 680 Ca 0.36 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1cm5 h VAL 680 Cb -0.05 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1cm5 h VAL 680 CO -0.11 0.53 0.15 0.03 0.02 0.00 0.00 177.57 178.19 1cm5 h ARG 681 N 0.56 0.30 -0.15 1.57 3.08 -0.65 0.19 114.38 119.27 1cm5 h ARG 681 Ca 0.02 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1cm5 h ARG 681 Cb 1.06 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 1cm5 h ARG 681 CO 0.10 0.21 0.04 0.87 -1.07 0.00 0.00 179.97 180.13 1cm5 h LYS 682 N 0.30 0.11 -0.43 0.04 1.57 -0.79 0.85 116.57 118.22 1cm5 h LYS 682 Ca 0.08 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1cm5 h LYS 682 Cb -0.02 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1cm5 h LYS 682 CO -0.02 0.07 0.24 1.15 -0.57 0.00 0.00 179.45 180.32 1cm5 h THR 683 N 0.11 1.16 -0.49 -0.16 2.02 -1.21 -1.84 112.91 112.50 1cm5 h THR 683 Ca 0.07 -0.39 -0.11 0.00 0.77 0.00 0.00 66.41 66.74 1cm5 h THR 683 Cb 0.05 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1cm5 h THR 683 CO -0.08 0.16 -0.14 0.78 0.37 0.00 0.00 175.52 176.62 1cm5 h ASN 684 N 0.56 0.97 0.01 4.18 2.35 -0.34 -1.60 115.58 121.71 1cm5 h ASN 684 Ca 0.15 -0.37 -0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1cm5 h ASN 684 Cb 0.05 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.15 1cm5 h ASN 684 CO -0.02 1.11 -0.01 0.25 -1.65 0.00 0.00 177.43 177.11 1cm5 h LEU 685 N 0.81 -0.02 -1.36 1.61 6.46 -0.74 0.15 115.31 122.22 1cm5 h LEU 685 Ca 0.12 -0.08 0.05 0.00 -0.12 0.00 0.00 57.88 57.85 1cm5 h LEU 685 Cb 0.70 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.59 1cm5 h LEU 685 CO 0.05 0.07 0.47 0.00 -0.62 0.00 0.00 178.44 178.41 1cm5 h ALA 686 N 0.88 1.65 -0.42 1.25 0.00 -1.31 -1.35 119.26 119.96 1cm5 h ALA 686 Ca -0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1cm5 h ALA 686 Cb 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1cm5 h ALA 686 CO 0.00 0.26 -0.12 0.78 0.00 0.00 0.00 179.25 180.18 1cm5 h GLY 687 N 0.80 0.90 0.94 0.00 0.00 -0.53 -0.76 103.07 104.43 1cm5 h GLY 687 Ca 0.29 -0.75 0.02 0.00 0.00 0.00 0.00 47.33 46.89 1cm5 h GLY 687 CO -0.09 0.68 0.37 1.41 0.00 0.00 0.00 176.54 178.91 1cm5 h LEU 688 N 0.65 0.62 -0.78 3.11 3.38 0.21 -2.03 115.31 120.47 1cm5 h LEU 688 Ca 0.11 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1cm5 h LEU 688 Cb 0.65 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1cm5 h LEU 688 CO 0.04 0.44 -0.36 0.24 0.09 0.00 0.00 178.44 178.89 1cm5 h MET 689 N 0.74 0.50 -0.61 1.13 2.86 -1.15 -0.99 114.93 117.40 1cm5 h MET 689 Ca 0.22 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 1cm5 h MET 689 Cb -0.04 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1cm5 h MET 689 CO -0.07 0.79 0.18 -0.44 1.06 0.00 0.00 176.91 178.42 1cm5 h ASP 690 N 0.42 0.87 -0.18 1.22 3.32 -0.75 0.10 116.42 121.42 1cm5 h ASP 690 Ca 0.04 -0.15 -0.21 0.00 0.02 0.00 0.00 57.03 56.73 1cm5 h ASP 690 Cb 0.83 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 40.16 1cm5 h ASP 690 CO 0.07 0.83 -0.71 1.23 -1.72 0.00 0.00 179.24 178.94 1cm5 h GLY 691 N 1.02 0.90 0.90 2.75 0.00 -1.10 -0.98 103.07 106.57 1cm5 h GLY 691 Ca 0.20 -1.21 -0.05 0.00 0.00 0.00 0.00 47.33 46.27 1cm5 h GLY 691 CO -0.01 1.08 0.01 -1.82 0.00 0.00 0.00 176.54 175.80 1cm5 h TYR 692 N 0.58 0.62 -0.01 5.60 3.20 -0.89 -3.04 116.97 123.03 1cm5 h TYR 692 Ca -0.03 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.73 1cm5 h TYR 692 Cb 1.34 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.45 1cm5 h TYR 692 CO 0.08 0.68 -0.11 1.19 -1.64 0.00 0.00 178.16 178.36 1cm5 n PHE 693 N -4.55 0.00 -1.57 -3.82 0.99 0.34 -1.10 117.46 107.75 1cm5 n PHE 693 Ca -0.02 0.00 -0.55 0.00 -0.00 0.00 0.00 57.45 56.88 1cm5 n PHE 693 Cb 0.26 -0.11 -0.08 0.00 -1.00 0.00 0.00 39.48 38.55 1cm5 n PHE 693 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.76 178.34 1cm5 n HIS 694 N -0.63 1.81 -4.54 1.38 -0.00 -0.37 -4.70 115.22 108.17 1cm5 n HIS 694 Ca 0.16 0.45 -0.33 0.00 0.46 0.00 0.00 57.72 58.45 1cm5 n HIS 694 Cb 0.29 -2.48 -0.13 0.00 -0.12 0.00 0.00 29.99 27.56 1cm5 n HIS 694 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1cm5 s HIS 695 N 5.19 2.95 0.13 1.57 5.04 -1.26 -4.09 115.29 124.81 1cm5 s HIS 695 Ca 1.05 -0.36 -0.04 0.00 -1.54 0.00 0.00 55.06 54.16 1cm5 s HIS 695 Cb -1.03 -1.90 -0.03 0.00 0.04 0.00 0.00 32.58 29.67 1cm5 s HIS 695 CO 0.59 -0.05 0.12 -2.00 -2.34 0.00 0.00 174.74 171.07 1cm5 s GLU 696 N 0.23 0.94 0.56 2.88 2.12 0.65 -4.99 118.70 121.09 1cm5 s GLU 696 Ca -0.04 -1.29 0.30 0.00 0.36 0.00 0.00 54.97 54.30 1cm5 s GLU 696 Cb -0.14 0.29 1.68 0.00 0.26 0.00 0.00 34.13 36.21 1cm5 s GLU 696 CO 0.04 -0.29 2.17 0.00 -0.54 0.00 0.00 175.26 176.64 1cm5 h ALA 697 N 2.80 1.36 -0.00 6.30 0.00 -1.99 -2.39 119.26 125.34 1cm5 h ALA 697 Ca -0.34 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1cm5 h ALA 697 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1cm5 h ALA 697 CO 0.57 0.07 -0.52 -1.13 0.00 0.00 0.00 179.25 178.24 1cm5 n SER 698 N -3.67 0.99 -3.84 0.00 3.41 -1.26 -4.87 113.62 104.38 1cm5 n SER 698 Ca -0.02 -1.00 -0.29 0.00 -0.26 0.00 0.00 58.87 57.30 1cm5 n SER 698 Cb 0.16 0.79 -0.16 0.00 -0.26 0.00 0.00 64.21 64.75 1cm5 n SER 698 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1cm5 s ILE 699 N -2.10 1.10 0.04 -1.33 -1.09 -0.90 -5.04 121.20 111.88 1cm5 s ILE 699 Ca 0.08 -1.00 -0.28 0.00 -2.23 0.00 0.00 60.65 57.22 1cm5 s ILE 699 Cb 0.11 -1.51 -0.17 0.00 -1.58 0.00 0.00 42.46 39.31 1cm5 s ILE 699 CO 0.49 -0.20 1.45 -0.08 -1.23 0.00 0.00 174.94 175.36 1cm5 h GLU 700 N 8.07 -0.52 0.00 2.79 4.81 -1.85 0.19 114.58 128.07 1cm5 h GLU 700 Ca -0.17 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1cm5 h GLU 700 Cb 1.08 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1cm5 h GLU 700 CO 0.39 -0.26 0.00 0.41 -0.73 0.00 0.00 179.01 178.82 1cm5 n GLY 701 N -0.85 0.46 3.79 1.92 0.00 -1.26 -4.52 105.19 104.73 1cm5 n GLY 701 Ca -0.11 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.75 1cm5 n GLY 701 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cm5 s GLY 702 N -1.39 1.98 -0.18 -0.02 0.00 -0.26 -4.84 107.32 102.61 1cm5 s GLY 702 Ca 0.00 0.37 0.05 0.00 0.00 0.00 0.00 44.72 45.14 1cm5 s GLY 702 CO 0.00 0.71 -0.11 -0.18 0.00 0.00 0.00 173.10 173.52 1cm5 n GLN 703 N -2.62 0.78 -3.95 2.90 0.00 -1.26 -4.49 117.38 108.74 1cm5 n GLN 703 Ca 0.09 0.08 -0.09 0.00 -0.00 0.00 0.00 57.00 57.08 1cm5 n GLN 703 Cb 0.53 -1.37 -0.10 0.00 0.00 0.00 0.00 30.24 29.29 1cm5 n GLN 703 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1cm5 s HIS 704 N -2.37 0.24 -0.23 3.69 5.04 -1.24 -1.23 115.29 119.19 1cm5 s HIS 704 Ca -0.20 -0.53 -0.06 0.00 -1.54 0.00 0.00 55.06 52.73 1cm5 s HIS 704 Cb 0.06 -0.17 0.11 0.00 0.04 0.00 0.00 32.58 32.62 1cm5 s HIS 704 CO 0.48 -0.31 0.44 -1.17 -2.34 0.00 0.00 174.74 171.84 1cm5 s LEU 705 N -1.94 -0.73 0.02 8.88 2.96 1.00 -4.18 118.68 124.68 1cm5 s LEU 705 Ca -0.08 0.83 -0.22 0.00 -0.22 0.00 0.00 54.13 54.45 1cm5 s LEU 705 Cb -0.03 1.42 -0.06 0.00 0.50 0.00 0.00 46.19 48.02 1cm5 s LEU 705 CO -0.03 -0.25 0.64 0.20 -1.32 0.00 0.00 176.35 175.58 1cm5 s ASN 706 N 2.64 7.06 -0.22 3.68 0.01 -0.05 -0.59 114.94 127.46 1cm5 s ASN 706 Ca 0.03 1.26 0.01 0.00 -0.71 0.00 0.00 52.86 53.45 1cm5 s ASN 706 Cb -0.13 -2.39 0.05 0.00 0.41 0.00 0.00 41.25 39.18 1cm5 s ASN 706 CO -0.15 0.11 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.76 1cm5 s VAL 707 N -0.30 1.80 -0.15 1.60 1.01 -1.22 -1.63 120.40 121.51 1cm5 s VAL 707 Ca 0.33 -1.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1cm5 s VAL 707 Cb -0.19 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1cm5 s VAL 707 CO 0.19 0.10 -0.10 0.20 0.00 0.00 0.00 175.10 175.49 1cm5 s ASN 708 N 1.31 4.18 -0.43 3.32 0.01 -0.07 -4.53 114.94 118.73 1cm5 s ASN 708 Ca -0.04 -0.31 0.02 0.00 -0.71 0.00 0.00 52.86 51.82 1cm5 s ASN 708 Cb -0.17 -1.66 0.12 0.00 0.41 0.00 0.00 41.25 39.94 1cm5 s ASN 708 CO -0.07 0.13 0.18 -0.69 -1.51 0.00 0.00 177.10 175.13 1cm5 s VAL 709 N 0.60 2.75 0.29 1.60 1.01 -1.26 -0.42 120.40 124.98 1cm5 s VAL 709 Ca -0.06 -2.59 -0.20 0.00 0.00 0.00 0.00 61.98 59.13 1cm5 s VAL 709 Cb -0.15 -2.93 0.03 0.00 0.00 0.00 0.00 36.38 33.33 1cm5 s VAL 709 CO 0.03 -0.70 0.77 0.00 0.00 0.00 0.00 175.10 175.20 1cm5 s MET 710 N 0.55 1.84 -0.07 2.72 0.23 -0.82 -4.81 119.30 118.94 1cm5 s MET 710 Ca 0.13 -1.07 0.01 0.00 -1.03 0.00 0.00 55.69 53.72 1cm5 s MET 710 Cb -0.22 0.59 -0.03 0.00 -1.53 0.00 0.00 34.83 33.64 1cm5 s MET 710 CO -0.05 -0.85 -0.08 -0.80 -2.03 0.00 0.00 175.02 171.22 1cm5 s ASN 711 N -2.98 4.57 0.35 -1.18 -0.87 -1.26 -3.67 114.94 109.90 1cm5 s ASN 711 Ca 0.13 -0.05 0.05 0.00 -1.57 0.00 0.00 52.86 51.42 1cm5 s ASN 711 Cb -0.05 -1.17 0.71 0.00 -0.02 0.00 0.00 41.25 40.72 1cm5 s ASN 711 CO 0.08 0.35 1.94 -0.09 -2.57 0.00 0.00 177.10 176.80 1cm5 h ARG 712 N 5.36 0.77 -0.82 -0.60 2.43 -1.99 -1.57 114.38 117.96 1cm5 h ARG 712 Ca -0.47 -0.05 0.10 0.00 -0.81 0.00 0.00 59.98 58.75 1cm5 h ARG 712 Cb 1.17 -0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 30.49 1cm5 h ARG 712 CO 0.53 0.51 0.54 0.93 -1.51 0.00 0.00 179.97 180.96 1cm5 h GLU 713 N 0.79 0.75 -0.57 0.20 3.07 -1.99 -1.49 114.58 115.34 1cm5 h GLU 713 Ca 0.34 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 59.11 1cm5 h GLU 713 Cb 0.31 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 1cm5 h GLU 713 CO -0.12 0.50 0.18 1.98 -1.40 0.00 0.00 179.01 180.15 1cm5 h MET 714 N 0.78 0.88 -0.21 2.33 4.05 -1.70 -1.77 114.93 119.29 1cm5 h MET 714 Ca 0.38 -0.19 -0.12 0.00 -0.28 0.00 0.00 59.70 59.50 1cm5 h MET 714 Cb 0.44 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1cm5 h MET 714 CO -0.15 0.80 -0.37 -0.07 0.23 0.00 0.00 176.91 177.35 1cm5 h LEU 715 N 0.80 0.47 -0.90 3.39 3.38 -1.33 -1.73 115.31 119.39 1cm5 h LEU 715 Ca 0.18 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1cm5 h LEU 715 Cb 0.28 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1cm5 h LEU 715 CO -0.01 0.79 0.26 -0.07 0.09 0.00 0.00 178.44 179.51 1cm5 h LEU 716 N 0.38 0.99 -0.57 1.67 3.38 -0.95 -0.43 115.31 119.77 1cm5 h LEU 716 Ca 0.04 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1cm5 h LEU 716 Cb 0.82 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1cm5 h LEU 716 CO 0.07 0.89 -0.27 -0.78 0.09 0.00 0.00 178.44 178.44 1cm5 h ASP 717 N 1.04 0.89 -0.29 -0.43 -0.00 -1.05 -2.70 116.42 113.88 1cm5 h ASP 717 Ca 0.24 -0.35 -0.05 0.00 -0.00 0.00 0.00 57.03 56.86 1cm5 h ASP 717 Cb 0.23 -0.25 -0.02 0.00 -0.00 0.00 0.00 39.33 39.30 1cm5 h ASP 717 CO -0.02 1.10 0.01 0.00 -0.00 0.00 0.00 179.24 180.33 1cm5 h ALA 718 N 0.96 1.30 -0.70 -0.78 0.00 -0.75 0.33 119.26 119.61 1cm5 h ALA 718 Ca 0.09 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1cm5 h ALA 718 Cb 0.82 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1cm5 h ALA 718 CO 0.07 0.48 0.19 0.52 0.00 0.00 0.00 179.25 180.51 1cm5 h MET 719 N 0.58 1.12 0.16 0.00 2.86 -0.82 -2.78 114.93 116.04 1cm5 h MET 719 Ca 0.12 -0.26 -0.30 0.00 -2.06 0.00 0.00 59.70 57.20 1cm5 h MET 719 Cb 0.35 -0.15 0.03 0.00 0.06 0.00 0.00 31.60 31.89 1cm5 h MET 719 CO 0.01 0.97 -1.30 0.93 1.06 0.00 0.00 176.91 178.58 1cm5 h GLU 720 N 1.05 0.55 -3.06 1.72 4.39 -1.14 -3.41 114.58 114.69 1cm5 h GLU 720 Ca 0.22 -0.80 -0.62 0.00 0.34 0.00 0.00 59.36 58.51 1cm5 h GLU 720 Cb 0.34 0.28 -0.41 0.00 -0.10 0.00 0.00 28.75 28.86 1cm5 h GLU 720 CO -0.00 1.36 -0.63 -0.80 -1.16 0.00 0.00 179.01 177.78 1cm5 s ASN 721 N -7.43 4.36 0.09 1.42 0.01 0.11 -4.98 114.94 108.53 1cm5 s ASN 721 Ca -0.08 -3.59 -0.28 0.00 -0.71 0.00 0.00 52.86 48.20 1cm5 s ASN 721 Cb 0.05 -1.49 -0.15 0.00 0.41 0.00 0.00 41.25 40.08 1cm5 s ASN 721 CO 0.93 -0.12 1.67 -0.65 -1.51 0.00 0.00 177.10 177.41 1cm5 h PRO 722 N 5.66 -0.48 0.00 -0.60 0.11 -1.73 -2.94 132.00 132.02 1cm5 h PRO 722 Ca 0.11 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1cm5 h PRO 722 Cb 0.80 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1cm5 h PRO 722 CO 0.67 -0.32 0.39 0.93 -0.21 0.00 0.00 178.00 179.45 1cm5 h GLU 723 N -0.50 0.00 0.00 1.05 4.39 -1.93 0.17 114.58 117.75 1cm5 h GLU 723 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1cm5 h GLU 723 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1cm5 h GLU 723 CO 0.03 0.00 -0.20 -0.22 -1.16 0.00 0.00 179.01 177.45 1cm5 h LYS 724 N 0.00 0.00 -2.14 2.33 3.64 -1.90 -3.38 116.57 115.13 1cm5 h LYS 724 Ca 0.00 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.82 1cm5 h LYS 724 Cb 0.78 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.19 1cm5 h LYS 724 CO 0.00 0.00 -0.86 0.66 -2.27 0.00 0.00 179.45 176.98 1cm5 n TYR 725 N -2.88 2.18 -0.28 1.91 4.02 0.59 -4.95 117.16 117.75 1cm5 n TYR 725 Ca 0.03 -3.91 0.02 0.00 -0.01 0.00 0.00 57.90 54.03 1cm5 n TYR 725 Cb 0.52 -0.46 0.22 0.00 -0.02 0.00 0.00 39.34 39.60 1cm5 n TYR 725 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1cm5 h PRO 726 N 3.45 1.05 -0.32 -0.72 0.11 -1.75 -3.06 132.00 130.76 1cm5 h PRO 726 Ca 0.13 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1cm5 h PRO 726 Cb 0.73 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1cm5 h PRO 726 CO 0.68 0.69 0.00 1.04 -0.21 0.00 0.00 178.00 180.20 1cm5 n GLN 727 N -4.44 2.88 -1.68 1.05 6.02 -1.26 -4.94 117.38 115.01 1cm5 n GLN 727 Ca 0.11 -2.08 -0.47 0.00 -0.01 0.00 0.00 57.00 54.55 1cm5 n GLN 727 Cb 0.10 -1.30 -0.04 0.00 1.02 0.00 0.00 30.24 30.02 1cm5 n GLN 727 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1cm5 n LEU 728 N 0.36 3.53 -4.31 1.08 7.94 -1.16 -4.51 117.00 119.93 1cm5 n LEU 728 Ca 0.12 0.98 -0.29 0.00 -1.11 0.00 0.00 56.01 55.71 1cm5 n LEU 728 Cb 0.45 -1.41 -0.15 0.00 0.53 0.00 0.00 43.42 42.85 1cm5 n LEU 728 CO 0.08 -0.04 -0.55 -0.89 -1.11 0.00 0.00 177.39 174.88 1cm5 s THR 729 N 3.63 1.96 0.02 1.96 2.01 -1.26 -1.38 115.64 122.59 1cm5 s THR 729 Ca 0.90 -1.27 -0.03 0.00 0.31 0.00 0.00 61.69 61.59 1cm5 s THR 729 Cb -0.65 -1.68 -0.01 0.00 0.01 0.00 0.00 72.50 70.17 1cm5 s THR 729 CO 0.48 0.35 0.05 0.27 -0.69 0.00 0.00 174.62 175.07 1cm5 s ILE 730 N -0.76 0.11 0.05 1.82 -4.36 -0.65 -4.62 121.20 112.79 1cm5 s ILE 730 Ca 0.10 -0.93 -0.24 0.00 -0.26 0.00 0.00 60.65 59.32 1cm5 s ILE 730 Cb -0.10 -0.51 -0.06 0.00 1.25 0.00 0.00 42.46 43.05 1cm5 s ILE 730 CO 0.01 -0.51 0.74 -0.13 0.24 0.00 0.00 174.94 175.30 1cm5 s ARG 731 N -1.80 4.47 0.00 0.37 1.81 -1.23 -1.45 118.95 121.12 1cm5 s ARG 731 Ca -0.12 1.02 0.00 0.00 -1.72 0.00 0.00 55.73 54.91 1cm5 s ARG 731 Cb -0.07 -3.35 0.00 0.00 -0.45 0.00 0.00 34.95 31.08 1cm5 s ARG 731 CO -0.01 0.31 0.00 1.33 -0.68 0.00 0.00 175.30 176.25 1cm5 n VAL 732 N 2.72 0.00 -0.72 3.52 0.24 -0.53 -4.95 118.33 118.60 1cm5 n VAL 732 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1cm5 n VAL 732 Cb 0.50 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 1cm5 n VAL 732 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1cm5 n SER 733 N -1.05 0.00 0.00 -1.34 2.88 -1.26 -4.88 113.62 107.97 1cm5 n SER 733 Ca 0.00 -0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1cm5 n SER 733 Cb 0.03 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 1cm5 n SER 733 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1cm5 n GLY 734 N 0.00 0.00 3.92 0.46 0.00 -1.26 -4.61 105.19 103.69 1cm5 n GLY 734 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1cm5 n GLY 734 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1cm5 s TYR 735 N 0.00 0.05 0.31 1.61 -0.85 -1.26 -4.21 117.35 113.00 1cm5 s TYR 735 Ca 0.00 -0.33 0.11 0.00 -0.52 0.00 0.00 57.07 56.33 1cm5 s TYR 735 Cb 0.00 0.64 -0.06 0.00 0.38 0.00 0.00 41.96 42.92 1cm5 s TYR 735 CO 0.00 -0.65 -0.14 0.00 -1.52 0.00 0.00 175.55 173.24 1cm5 s ALA 736 N -2.12 2.87 0.05 9.51 0.00 -1.26 -1.46 121.76 129.35 1cm5 s ALA 736 Ca 0.25 -1.97 -0.11 0.00 0.00 0.00 0.00 51.96 50.12 1cm5 s ALA 736 Cb -0.02 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1cm5 s ALA 736 CO 0.03 0.18 0.24 0.14 0.00 0.00 0.00 175.76 176.36 1cm5 s VAL 737 N -2.55 0.10 0.01 0.00 -7.23 -0.53 -4.78 120.40 105.42 1cm5 s VAL 737 Ca 0.31 -0.83 -0.30 0.00 -1.81 0.00 0.00 61.98 59.36 1cm5 s VAL 737 Cb -0.02 -0.97 -0.03 0.00 0.56 0.00 0.00 36.38 35.92 1cm5 s VAL 737 CO 0.16 -0.46 1.03 -0.13 -0.31 0.00 0.00 175.10 175.39 1cm5 s ARG 738 N -2.72 4.53 0.28 4.82 0.52 -1.26 -1.64 118.95 123.47 1cm5 s ARG 738 Ca -0.04 1.49 0.02 0.00 -0.52 0.00 0.00 55.73 56.68 1cm5 s ARG 738 Cb -0.00 -3.44 0.65 0.00 0.52 0.00 0.00 34.95 32.68 1cm5 s ARG 738 CO -0.05 -0.10 1.72 0.35 0.02 0.00 0.00 175.30 177.25 1cm5 h PHE 739 N 6.81 0.71 0.00 -0.53 3.57 -1.57 0.62 116.94 126.55 1cm5 h PHE 739 Ca -0.41 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1cm5 h PHE 739 Cb 1.22 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1cm5 h PHE 739 CO 0.68 0.05 0.00 0.09 -2.23 0.00 0.00 178.31 176.90 1cm5 n ASN 740 N -4.97 0.00 0.08 0.41 3.02 -1.26 -2.52 115.26 110.02 1cm5 n ASN 740 Ca 0.20 0.46 0.12 0.00 -0.03 0.00 0.00 54.58 55.33 1cm5 n ASN 740 Cb 0.57 -0.47 0.27 0.00 -0.61 0.00 0.00 39.78 39.53 1cm5 n ASN 740 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1cm5 n SER 741 N -1.47 0.76 -4.89 6.41 3.41 0.21 -4.73 113.62 113.32 1cm5 n SER 741 Ca 0.02 0.32 -0.29 0.00 -0.26 0.00 0.00 58.87 58.67 1cm5 n SER 741 Cb 0.10 -0.26 0.01 0.00 -0.26 0.00 0.00 64.21 63.80 1cm5 n SER 741 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1cm5 s LEU 742 N -4.39 3.35 0.77 1.04 1.43 -1.05 -4.39 118.68 115.44 1cm5 s LEU 742 Ca 0.08 1.10 -0.09 0.00 -1.03 0.00 0.00 54.13 54.19 1cm5 s LEU 742 Cb 0.13 -4.06 0.08 0.00 0.03 0.00 0.00 46.19 42.37 1cm5 s LEU 742 CO 0.67 -0.83 1.10 0.42 0.23 0.00 0.00 176.35 177.94 1cm5 s THR 743 N -3.00 2.13 0.15 5.49 -4.23 -1.26 -4.84 115.64 110.08 1cm5 s THR 743 Ca 0.52 -0.14 -0.16 0.00 -1.18 0.00 0.00 61.69 60.73 1cm5 s THR 743 Cb -0.11 -2.99 0.01 0.00 1.34 0.00 0.00 72.50 70.76 1cm5 s THR 743 CO 0.49 0.00 1.81 0.50 -0.54 0.00 0.00 174.62 176.88 1cm5 h LYS 744 N -0.86 0.51 -0.60 3.99 3.11 -1.99 0.29 116.57 121.03 1cm5 h LYS 744 Ca -0.45 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.35 1cm5 h LYS 744 Cb 1.32 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 32.40 1cm5 h LYS 744 CO 0.61 0.34 0.33 1.49 -2.81 0.00 0.00 179.45 179.41 1cm5 h GLU 745 N 0.53 0.83 -0.55 1.90 4.81 -1.99 0.05 114.58 120.16 1cm5 h GLU 745 Ca 0.15 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 1cm5 h GLU 745 Cb -0.05 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 1cm5 h GLU 745 CO -0.04 0.63 0.05 1.96 -0.73 0.00 0.00 179.01 180.89 1cm5 h GLN 746 N 0.81 0.91 -0.47 1.92 4.20 -1.85 -2.28 115.11 118.34 1cm5 h GLN 746 Ca 0.21 -0.23 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 1cm5 h GLN 746 Cb 0.04 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 1cm5 h GLN 746 CO -0.03 0.87 -0.10 1.96 -0.67 0.00 0.00 178.83 180.85 1cm5 h GLN 747 N 0.85 0.85 -0.95 1.46 4.20 -0.47 -2.74 115.11 118.31 1cm5 h GLN 747 Ca 0.17 -0.29 0.07 0.00 0.06 0.00 0.00 58.65 58.67 1cm5 h GLN 747 Cb 0.43 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.07 1cm5 h GLN 747 CO 0.01 0.91 0.60 0.37 -0.67 0.00 0.00 178.83 180.06 1cm5 h GLN 748 N 0.77 1.03 -0.05 1.46 5.75 -0.45 -1.03 115.11 122.59 1cm5 h GLN 748 Ca 0.13 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1cm5 h GLN 748 Cb 0.60 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 28.92 1cm5 h GLN 748 CO 0.04 0.68 0.03 0.22 -2.65 0.00 0.00 178.83 177.15 1cm5 h ASP 749 N 1.06 0.07 -0.29 -0.69 -0.00 -1.17 -2.80 116.42 112.59 1cm5 h ASP 749 Ca 0.42 -0.11 0.04 0.00 -0.00 0.00 0.00 57.03 57.38 1cm5 h ASP 749 Cb 0.23 -0.02 -0.04 0.00 -0.00 0.00 0.00 39.33 39.51 1cm5 h ASP 749 CO -0.19 0.16 0.07 0.58 -0.00 0.00 0.00 179.24 179.86 1cm5 h VAL 750 N -0.02 0.89 0.00 2.25 2.07 -1.01 -2.79 116.25 117.64 1cm5 h VAL 750 Ca 0.02 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1cm5 h VAL 750 Cb 0.11 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1cm5 h VAL 750 CO -0.00 0.03 -0.01 0.16 0.02 0.00 0.00 177.57 177.77 1cm5 h ILE 751 N 0.19 0.02 -0.04 4.57 3.07 -1.23 -2.83 117.51 121.26 1cm5 h ILE 751 Ca 0.13 -0.58 0.00 0.00 1.55 0.00 0.00 64.86 65.96 1cm5 h ILE 751 Cb 0.12 1.57 0.00 0.00 -0.27 0.00 0.00 36.82 38.24 1cm5 h ILE 751 CO -0.16 0.01 0.00 0.35 -1.05 0.00 0.00 178.15 177.30 1cm5 n THR 752 N -3.10 0.04 -1.59 0.16 -2.24 -1.06 -4.93 114.28 101.55 1cm5 n THR 752 Ca 0.01 -0.33 -0.29 0.00 -2.27 0.00 0.00 64.05 61.17 1cm5 n THR 752 Cb 0.33 0.73 0.14 0.00 -2.10 0.00 0.00 70.33 69.42 1cm5 n THR 752 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1cm5 s ARG 753 N -1.96 1.14 -0.08 -0.78 0.52 -1.07 -4.34 118.95 112.37 1cm5 s ARG 753 Ca 0.35 0.21 -0.30 0.00 -0.52 0.00 0.00 55.73 55.48 1cm5 s ARG 753 Cb 0.20 -1.85 -0.03 0.00 0.52 0.00 0.00 34.95 33.80 1cm5 s ARG 753 CO 0.32 -2.18 1.29 0.99 0.02 0.00 0.00 175.30 175.73 1cm5 s THR 754 N -3.34 4.12 -0.46 0.02 2.01 -1.26 -4.68 115.64 112.05 1cm5 s THR 754 Ca 0.64 1.42 -0.07 0.00 0.31 0.00 0.00 61.69 64.00 1cm5 s THR 754 Cb -0.13 -3.92 0.12 0.00 0.01 0.00 0.00 72.50 68.58 1cm5 s THR 754 CO 0.53 -0.05 0.30 -0.36 -0.69 0.00 0.00 174.62 174.35 1cm5 s PHE 755 N 2.80 3.48 -0.09 4.92 0.40 -1.26 -4.34 117.98 123.89 1cm5 s PHE 755 Ca 0.58 -2.08 -0.33 0.00 -0.60 0.00 0.00 56.93 54.51 1cm5 s PHE 755 Cb -0.25 -3.41 -0.11 0.00 0.51 0.00 0.00 43.02 39.76 1cm5 s PHE 755 CO 0.21 -0.99 1.95 2.41 0.70 0.00 0.00 175.22 179.51 1cm5 n THR 756 N 4.77 0.58 0.87 0.64 -1.04 0.57 -4.84 114.28 115.83 1cm5 n THR 756 Ca -0.06 -0.15 0.12 0.00 -2.04 0.00 0.00 64.05 61.92 1cm5 n THR 756 Cb 0.41 -2.02 0.18 0.00 -1.82 0.00 0.00 70.33 67.07 1cm5 n THR 756 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cm5 n GLN 757 N 7.15 0.09 -3.81 -2.82 1.13 -1.26 -2.19 117.38 115.67 1cm5 n GLN 757 Ca 0.24 0.01 -0.07 0.00 -1.94 0.00 0.00 57.00 55.24 1cm5 n GLN 757 Cb 0.33 -1.54 -0.02 0.00 0.11 0.00 0.00 30.24 29.12 1cm5 n GLN 757 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1cm5 s SER 758 N -3.33 -0.28 0.00 1.08 1.04 -1.26 -4.61 113.70 106.34 1cm5 s SER 758 Ca 0.09 -0.53 0.28 0.00 0.48 0.00 0.00 55.95 56.27 1cm5 s SER 758 Cb 0.16 0.69 1.13 0.00 0.10 0.00 0.00 66.02 68.10 1cm5 s SER 758 CO 0.73 -1.26 1.79 0.23 0.98 0.00 0.00 173.24 175.71