#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hwg s PRO 33 N 0.00 4.05 0.47 3.44 0.04 -1.26 -4.96 135.00 136.77 1hwg s PRO 33 Ca 0.00 2.51 0.03 0.00 0.04 0.00 0.00 61.00 63.58 1hwg s PRO 33 Cb 0.00 -4.17 -0.03 0.00 0.04 0.00 0.00 34.50 30.34 1hwg s PRO 33 CO 0.00 -1.06 0.02 0.15 0.04 0.00 0.00 177.00 176.15 1hwg s LYS 34 N 4.60 2.09 0.28 4.56 1.02 -1.26 -4.67 119.74 126.36 1hwg s LYS 34 Ca 0.88 -2.29 -0.29 0.00 0.02 0.00 0.00 55.97 54.29 1hwg s LYS 34 Cb -0.41 -1.45 -0.09 0.00 -0.52 0.00 0.00 37.83 35.36 1hwg s LYS 34 CO 0.40 -0.29 0.99 -0.06 -0.92 0.00 0.00 175.35 175.47 1hwg s PHE 35 N -2.88 3.78 -0.16 3.18 0.08 -1.26 -1.35 117.98 119.37 1hwg s PHE 35 Ca 0.16 1.82 -0.13 0.00 0.12 0.00 0.00 56.93 58.90 1hwg s PHE 35 Cb 0.04 -3.06 -0.08 0.00 -0.57 0.00 0.00 43.02 39.35 1hwg s PHE 35 CO 0.08 0.09 -0.07 2.41 -0.10 0.00 0.00 175.22 177.63 1hwg n THR 36 N 1.14 1.46 0.00 0.64 -1.04 0.12 -4.88 114.28 111.71 1hwg n THR 36 Ca -0.01 0.13 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1hwg n THR 36 Cb 0.47 -2.28 0.00 0.00 -1.82 0.00 0.00 70.33 66.70 1hwg n THR 36 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1hwg n LYS 37 N -4.55 0.00 -5.00 -2.82 2.85 -1.19 -4.99 118.16 102.45 1hwg n LYS 37 Ca -0.16 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.83 1hwg n LYS 37 Cb 0.40 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.63 1hwg n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1hwg s ARG 39 N -0.27 0.38 -0.24 0.00 1.70 -0.70 -4.83 118.95 114.98 1hwg s ARG 39 Ca 0.02 0.48 -0.06 0.00 -0.47 0.00 0.00 55.73 55.70 1hwg s ARG 39 Cb -0.10 0.16 -0.02 0.00 -0.57 0.00 0.00 34.95 34.42 1hwg s ARG 39 CO 0.01 -0.06 0.03 0.45 -1.08 0.00 0.00 175.30 174.65 1hwg s SER 40 N 0.29 4.82 0.36 -2.89 0.15 0.17 -2.62 113.70 113.98 1hwg s SER 40 Ca -0.01 -0.33 0.19 0.00 0.70 0.00 0.00 55.95 56.50 1hwg s SER 40 Cb -0.03 -1.85 0.20 0.00 -1.71 0.00 0.00 66.02 62.63 1hwg s SER 40 CO -0.01 -0.05 1.51 1.55 1.20 0.00 0.00 173.24 177.45 1hwg h PRO 41 N 8.19 0.00 0.00 5.44 0.13 -1.79 -0.56 132.00 143.41 1hwg h PRO 41 Ca -0.39 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.72 1hwg h PRO 41 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 1hwg h PRO 41 CO 0.59 0.22 -0.48 -0.85 -0.23 0.00 0.00 178.00 177.25 1hwg n GLU 42 N -3.14 0.00 -2.16 0.86 0.00 -1.26 -4.44 120.64 110.50 1hwg n GLU 42 Ca 0.03 -0.96 -0.20 0.00 0.00 0.00 0.00 57.16 56.02 1hwg n GLU 42 Cb 0.63 -0.36 -0.03 0.00 0.00 0.00 0.00 31.44 31.67 1hwg n GLU 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1hwg n ARG 43 N 0.05 -1.65 0.00 3.44 1.74 -1.26 -4.76 116.66 114.21 1hwg n ARG 43 Ca 0.00 1.03 0.00 0.00 -0.77 0.00 0.00 57.85 58.11 1hwg n ARG 43 Cb 0.72 -5.61 0.00 0.00 -1.02 0.00 0.00 32.46 26.55 1hwg n ARG 43 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1hwg n GLU 44 N -2.79 2.72 -4.01 5.56 4.07 -1.26 -4.92 120.64 120.01 1hwg n GLU 44 Ca -0.23 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 56.77 1hwg n GLU 44 Cb 0.67 -0.75 -0.04 0.00 -0.06 0.00 0.00 31.44 31.26 1hwg n GLU 44 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1hwg s THR 45 N -1.14 0.00 0.30 6.31 -4.23 -1.26 -3.79 115.64 111.83 1hwg s THR 45 Ca 0.00 -1.43 -0.20 0.00 -1.18 0.00 0.00 61.69 58.88 1hwg s THR 45 Cb 0.00 -2.41 0.04 0.00 1.34 0.00 0.00 72.50 71.46 1hwg s THR 45 CO 0.00 0.00 0.77 0.72 -0.54 0.00 0.00 174.62 175.57 1hwg s PHE 46 N -3.55 -0.09 0.02 3.99 -0.71 -0.95 -4.10 117.98 112.61 1hwg s PHE 46 Ca 0.24 -0.42 -0.24 0.00 -1.04 0.00 0.00 56.93 55.47 1hwg s PHE 46 Cb -0.01 0.74 0.06 0.00 -1.21 0.00 0.00 43.02 42.60 1hwg s PHE 46 CO 0.13 -1.29 0.55 -1.54 -1.34 0.00 0.00 175.22 171.72 1hwg s SER 47 N -2.98 -0.48 0.07 1.98 1.04 -1.08 -0.68 113.70 111.57 1hwg s SER 47 Ca 0.13 0.30 0.09 0.00 0.48 0.00 0.00 55.95 56.94 1hwg s SER 47 Cb -0.05 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 1hwg s SER 47 CO 0.08 -0.68 -0.24 0.00 0.98 0.00 0.00 173.24 173.37 1hwg s HIS 49 N -0.91 1.46 0.32 0.00 3.76 0.03 -1.53 115.29 118.42 1hwg s HIS 49 Ca 0.11 -0.47 0.05 0.00 -0.15 0.00 0.00 55.06 54.59 1hwg s HIS 49 Cb -0.10 -0.79 -0.03 0.00 1.11 0.00 0.00 32.58 32.77 1hwg s HIS 49 CO 0.03 0.14 0.21 1.67 -0.85 0.00 0.00 174.74 175.94 1hwg s TRP 50 N -1.51 1.65 0.35 1.40 -2.14 -0.89 0.11 118.94 117.91 1hwg s TRP 50 Ca 0.04 -1.50 0.08 0.00 2.66 0.00 0.00 56.10 57.38 1hwg s TRP 50 Cb -0.08 -0.80 -0.03 0.00 -3.10 0.00 0.00 33.47 29.46 1hwg s TRP 50 CO 0.03 -0.67 0.27 0.95 -2.66 0.00 0.00 176.95 174.88 1hwg s THR 51 N -3.54 3.29 0.00 0.66 -4.23 -0.45 -4.80 115.64 106.56 1hwg s THR 51 Ca 0.37 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 1hwg s THR 51 Cb 0.04 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1hwg s THR 51 CO 0.21 -0.15 0.00 0.47 -0.54 0.00 0.00 174.62 174.61 1hwg n ASP 52 N -1.35 0.00 -4.55 3.99 8.00 -1.26 -4.27 116.55 117.11 1hwg n ASP 52 Ca -0.01 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.13 1hwg n ASP 52 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.67 1hwg n ASP 52 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1hwg s PRO 63 N 0.00 2.55 -0.03 -0.24 0.02 -1.26 -5.05 135.00 130.99 1hwg s PRO 63 Ca 0.00 0.53 -0.05 0.00 0.02 0.00 0.00 61.00 61.49 1hwg s PRO 63 Cb 0.00 -4.52 -0.04 0.00 0.02 0.00 0.00 34.50 29.96 1hwg s PRO 63 CO 0.00 -2.92 0.21 0.42 -0.33 0.00 0.00 177.00 174.38 1hwg s ILE 64 N 9.61 5.39 0.13 2.83 1.01 -1.26 -0.74 121.20 138.16 1hwg s ILE 64 Ca 0.71 0.08 0.01 0.00 0.00 0.00 0.00 60.65 61.45 1hwg s ILE 64 Cb -0.12 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 1hwg s ILE 64 CO 0.17 0.42 -0.03 -1.10 0.00 0.00 0.00 174.94 174.40 1hwg s GLN 65 N -1.63 0.94 -0.05 2.79 -0.21 -0.33 -4.97 119.66 116.19 1hwg s GLN 65 Ca 0.24 -1.42 0.03 0.00 0.02 0.00 0.00 55.36 54.23 1hwg s GLN 65 Cb -0.13 -0.18 0.01 0.00 1.00 0.00 0.00 33.01 33.71 1hwg s GLN 65 CO 0.14 -0.09 -0.13 -1.17 -2.12 0.00 0.00 175.29 171.92 1hwg s LEU 66 N -3.09 1.74 -0.02 2.90 0.20 -1.26 -0.75 118.68 118.39 1hwg s LEU 66 Ca 0.17 -0.30 0.05 0.00 0.69 0.00 0.00 54.13 54.75 1hwg s LEU 66 Cb 0.06 -0.83 -0.01 0.00 -0.43 0.00 0.00 46.19 44.98 1hwg s LEU 66 CO -0.01 0.07 -0.17 -0.36 -0.29 0.00 0.00 176.35 175.58 1hwg s PHE 67 N 0.45 1.58 0.26 5.38 0.08 -0.61 -1.24 117.98 123.88 1hwg s PHE 67 Ca -0.11 -0.32 0.06 0.00 0.12 0.00 0.00 56.93 56.69 1hwg s PHE 67 Cb -0.14 -1.03 -0.06 0.00 -0.57 0.00 0.00 43.02 41.23 1hwg s PHE 67 CO 0.03 -0.04 -0.05 1.52 -0.10 0.00 0.00 175.22 176.58 1hwg s TYR 68 N -0.36 1.83 -0.14 0.36 1.13 -0.13 -0.81 117.35 119.23 1hwg s TYR 68 Ca 0.06 -0.75 -0.13 0.00 -1.41 0.00 0.00 57.07 54.84 1hwg s TYR 68 Cb -0.07 -1.03 0.04 0.00 -1.10 0.00 0.00 41.96 39.79 1hwg s TYR 68 CO -0.00 0.20 0.37 0.99 -2.51 0.00 0.00 175.55 174.60 1hwg s THR 69 N -3.12 0.00 -1.03 -3.49 2.01 -0.63 -1.64 115.64 107.75 1hwg s THR 69 Ca 0.28 -0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.26 1hwg s THR 69 Cb 0.04 -0.52 0.32 0.00 0.01 0.00 0.00 72.50 72.35 1hwg s THR 69 CO 0.11 -0.01 1.78 0.54 -0.69 0.00 0.00 174.62 176.35 1hwg n ARG 70 N 2.83 5.32 -1.48 4.92 1.74 -1.26 -1.43 116.66 127.31 1hwg n ARG 70 Ca -0.13 -4.66 -0.16 0.00 -0.77 0.00 0.00 57.85 52.13 1hwg n ARG 70 Cb 0.57 -2.47 -0.14 0.00 -1.02 0.00 0.00 32.46 29.40 1hwg n ARG 70 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1hwg n ARG 71 N 0.08 0.20 0.15 5.56 3.00 -1.06 -4.82 116.66 119.78 1hwg n ARG 71 Ca 0.45 -0.42 0.16 0.00 -0.00 0.00 0.00 57.85 58.04 1hwg n ARG 71 Cb 0.27 -2.15 0.75 0.00 0.00 0.00 0.00 32.46 31.32 1hwg n ARG 71 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.63 174.68 1hwg h ASN 72 N 11.44 0.00 -4.25 6.15 -1.07 -1.94 -3.36 115.58 122.55 1hwg h ASN 72 Ca 0.02 0.00 -0.56 0.00 0.07 0.00 0.00 56.30 55.83 1hwg h ASN 72 Cb 1.06 0.00 -0.24 0.00 -2.07 0.00 0.00 38.32 37.07 1hwg h ASN 72 CO 1.30 0.00 -0.83 -1.10 0.07 0.00 0.00 177.43 176.87 1hwg s GLN 78 N -4.85 1.26 -0.36 4.14 -1.52 -1.26 -5.01 119.66 112.06 1hwg s GLN 78 Ca -0.05 -1.00 0.00 0.00 -1.95 0.00 0.00 55.36 52.36 1hwg s GLN 78 Cb 0.17 -1.42 0.13 0.00 -0.22 0.00 0.00 33.01 31.68 1hwg s GLN 78 CO 0.63 0.35 0.20 -1.83 -0.25 0.00 0.00 175.29 174.40 1hwg s GLU 79 N -1.43 0.66 0.12 2.91 -1.05 -1.26 -5.12 118.70 113.53 1hwg s GLU 79 Ca 0.07 -1.37 -0.24 0.00 -0.15 0.00 0.00 54.97 53.28 1hwg s GLU 79 Cb -0.09 -1.51 -0.07 0.00 -0.44 0.00 0.00 34.13 32.02 1hwg s GLU 79 CO 0.03 -1.18 0.72 -1.58 0.95 0.00 0.00 175.26 174.20 1hwg s TRP 80 N 1.05 3.85 0.12 4.83 0.52 -1.26 -4.74 118.94 123.31 1hwg s TRP 80 Ca 0.17 1.51 0.09 0.00 0.02 0.00 0.00 56.10 57.88 1hwg s TRP 80 Cb -0.22 -2.70 -0.04 0.00 -1.15 0.00 0.00 33.47 29.35 1hwg s TRP 80 CO -0.03 0.49 -0.18 0.15 0.02 0.00 0.00 176.95 177.39 1hwg s LYS 81 N -0.93 1.77 0.43 4.98 3.01 -0.65 -4.92 119.74 123.43 1hwg s LYS 81 Ca 0.34 -1.19 -0.05 0.00 -1.01 0.00 0.00 55.97 54.06 1hwg s LYS 81 Cb -0.22 -2.11 -0.04 0.00 -1.01 0.00 0.00 37.83 34.46 1hwg s LYS 81 CO 0.24 0.48 0.73 -2.00 0.51 0.00 0.00 175.35 175.30 1hwg s GLU 82 N -2.15 3.59 -0.49 1.68 2.12 -1.26 -0.96 118.70 121.22 1hwg s GLU 82 Ca 0.18 0.15 -0.47 0.00 0.36 0.00 0.00 54.97 55.20 1hwg s GLU 82 Cb -0.11 -2.45 -0.20 0.00 0.26 0.00 0.00 34.13 31.64 1hwg s GLU 82 CO 0.10 -0.08 1.63 0.00 -0.54 0.00 0.00 175.26 176.37 1hwg n PRO 84 N 4.23 0.13 -3.47 0.00 -0.04 -1.26 -4.62 135.00 129.97 1hwg n PRO 84 Ca 0.32 0.39 0.01 0.00 -0.04 0.00 0.00 63.50 64.18 1hwg n PRO 84 Cb -0.05 -1.75 -0.03 0.00 -0.04 0.00 0.00 33.50 31.62 1hwg n PRO 84 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1hwg s ASP 85 N -3.82 -1.08 -0.01 3.54 -1.08 -1.26 -5.02 116.67 107.95 1hwg s ASP 85 Ca 0.04 1.23 0.19 0.00 -0.52 0.00 0.00 52.55 53.50 1hwg s ASP 85 Cb 0.09 2.13 -0.24 0.00 -1.46 0.00 0.00 42.92 43.43 1hwg s ASP 85 CO 0.33 -0.20 0.61 -1.22 0.52 0.00 0.00 175.17 175.21 1hwg n TYR 86 N 5.37 0.00 -0.10 -5.34 4.01 -1.26 -0.77 117.16 119.06 1hwg n TYR 86 Ca -0.09 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.42 1hwg n TYR 86 Cb 0.50 -0.20 -0.11 0.00 -0.31 0.00 0.00 39.34 39.22 1hwg n TYR 86 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1hwg n VAL 87 N -1.77 1.55 -0.31 -0.72 0.24 -1.26 -4.37 118.33 111.69 1hwg n VAL 87 Ca 0.00 -0.17 0.14 0.00 -2.04 0.00 0.00 64.34 62.28 1hwg n VAL 87 Cb 0.38 -1.97 0.30 0.00 -1.47 0.00 0.00 33.84 31.09 1hwg n VAL 87 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1hwg h SER 88 N -0.89 -0.20 -0.18 -1.34 0.02 -1.95 0.31 113.55 109.32 1hwg h SER 88 Ca -0.44 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1hwg h SER 88 Cb 1.45 0.36 0.00 0.00 0.14 0.00 0.00 62.40 64.35 1hwg h SER 88 CO -0.23 -0.26 0.00 0.00 -1.14 0.00 0.00 176.83 175.20 1hwg n ALA 89 N -2.86 2.51 0.00 3.77 0.00 -1.26 -5.03 120.51 117.63 1hwg n ALA 89 Ca 0.23 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1hwg n ALA 89 Cb 0.75 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1hwg n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hwg n GLY 90 N 0.97 -1.80 3.77 0.00 0.00 0.11 -4.83 105.19 103.41 1hwg n GLY 90 Ca 0.12 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 1hwg n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hwg s GLU 91 N 0.00 4.14 -0.91 1.61 0.41 -1.26 -3.74 118.70 118.95 1hwg s GLU 91 Ca 0.00 2.53 -0.08 0.00 -0.41 0.00 0.00 54.97 57.01 1hwg s GLU 91 Cb 0.00 -2.99 0.00 0.00 -1.78 0.00 0.00 34.13 29.36 1hwg s GLU 91 CO 0.00 -0.52 0.68 0.09 -0.49 0.00 0.00 175.26 175.02 1hwg n ASN 92 N 0.87 -5.63 -3.56 -0.19 3.02 -1.26 -4.87 115.26 103.63 1hwg n ASN 92 Ca 0.02 -0.79 -0.09 0.00 -0.03 0.00 0.00 54.58 53.70 1hwg n ASN 92 Cb 0.39 -2.95 -0.02 0.00 -0.61 0.00 0.00 39.78 36.59 1hwg n ASN 92 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1hwg s SER 93 N -3.14 -0.39 -0.03 6.41 1.04 -1.25 -2.09 113.70 114.25 1hwg s SER 93 Ca 0.15 -0.14 -0.01 0.00 0.48 0.00 0.00 55.95 56.42 1hwg s SER 93 Cb -0.06 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.61 1hwg s SER 93 CO 0.86 -0.88 0.05 0.00 0.98 0.00 0.00 173.24 174.25 1hwg s TYR 95 N 1.49 3.15 -0.34 0.00 5.04 0.05 -1.62 117.35 125.12 1hwg s TYR 95 Ca -0.04 0.02 -0.00 0.00 -2.44 0.00 0.00 57.07 54.61 1hwg s TYR 95 Cb -0.13 -1.92 0.08 0.00 0.35 0.00 0.00 41.96 40.35 1hwg s TYR 95 CO -0.03 0.24 0.07 -0.06 -1.34 0.00 0.00 175.55 174.43 1hwg s PHE 96 N -0.19 3.49 1.15 4.97 0.40 0.14 -3.98 117.98 123.96 1hwg s PHE 96 Ca 0.05 -2.35 -0.19 0.00 -0.60 0.00 0.00 56.93 53.84 1hwg s PHE 96 Cb -0.12 -2.65 0.27 0.00 0.51 0.00 0.00 43.02 41.03 1hwg s PHE 96 CO 0.02 -0.90 1.17 0.54 0.70 0.00 0.00 175.22 176.75 1hwg s ASN 97 N 1.35 1.38 0.64 1.36 2.20 -1.26 -2.23 114.94 118.38 1hwg s ASN 97 Ca 0.02 0.50 0.29 0.00 -0.94 0.00 0.00 52.86 52.73 1hwg s ASN 97 Cb -0.21 -0.66 1.55 0.00 -2.00 0.00 0.00 41.25 39.93 1hwg s ASN 97 CO -0.04 -3.83 1.90 0.77 -2.94 0.00 0.00 177.10 172.96 1hwg h SER 98 N -2.39 0.00 1.71 3.54 4.64 -1.90 0.36 113.55 119.52 1hwg h SER 98 Ca -0.44 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.82 1hwg h SER 98 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 1hwg h SER 98 CO 0.33 0.00 -0.26 0.28 -0.87 0.00 0.00 176.83 176.32 1hwg h SER 99 N 0.00 0.00 -0.01 4.97 0.02 -1.89 -3.24 113.55 113.39 1hwg h SER 99 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1hwg h SER 99 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1hwg h SER 99 CO -0.00 0.26 -0.45 0.49 -1.14 0.00 0.00 176.83 175.98 1hwg n PHE 100 N -3.17 0.00 -3.97 3.45 3.72 0.07 -4.93 117.46 112.63 1hwg n PHE 100 Ca 0.03 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.08 1hwg n PHE 100 Cb 0.63 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.07 1hwg n PHE 100 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1hwg s THR 101 N -2.13 4.71 -0.05 4.37 2.01 -0.93 -4.94 115.64 118.67 1hwg s THR 101 Ca 0.13 -0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.09 1hwg s THR 101 Cb 0.14 -3.13 0.01 0.00 0.01 0.00 0.00 72.50 69.52 1hwg s THR 101 CO 0.49 0.44 -0.12 -0.55 -0.69 0.00 0.00 174.62 174.19 1hwg s SER 102 N 0.61 1.62 0.00 3.53 0.15 -1.26 -4.87 113.70 113.47 1hwg s SER 102 Ca 0.03 -0.26 0.28 0.00 0.70 0.00 0.00 55.95 56.70 1hwg s SER 102 Cb -0.13 -0.62 1.11 0.00 -1.71 0.00 0.00 66.02 64.67 1hwg s SER 102 CO 0.01 0.06 1.81 0.00 1.20 0.00 0.00 173.24 176.32 1hwg n ILE 103 N 3.57 0.00 0.10 6.45 0.13 -1.26 -4.08 119.36 124.27 1hwg n ILE 103 Ca -0.21 -0.03 0.11 0.00 -1.10 0.00 0.00 62.75 61.53 1hwg n ILE 103 Cb 0.52 -0.16 -0.02 0.00 -0.84 0.00 0.00 39.64 39.14 1hwg n ILE 103 CO 0.00 0.00 0.00 0.79 2.80 0.00 0.00 176.55 180.14 1hwg n TRP 104 N -1.23 0.84 -4.24 9.51 7.02 -1.26 -4.81 117.44 123.28 1hwg n TRP 104 Ca 0.11 0.25 -0.20 0.00 -1.02 0.00 0.00 57.50 56.63 1hwg n TRP 104 Cb 0.30 -0.90 -0.12 0.00 -2.42 0.00 0.00 31.31 28.18 1hwg n TRP 104 CO 0.00 0.00 0.00 0.96 -2.02 0.00 0.00 177.69 176.63 1hwg s ILE 105 N -3.38 1.40 0.41 -0.99 -4.36 -1.26 -5.12 121.20 107.91 1hwg s ILE 105 Ca -0.01 -1.58 -0.17 0.00 -0.26 0.00 0.00 60.65 58.62 1hwg s ILE 105 Cb 0.10 -1.44 -0.09 0.00 1.25 0.00 0.00 42.46 42.28 1hwg s ILE 105 CO 0.81 -0.27 0.88 -2.16 0.24 0.00 0.00 174.94 174.43 1hwg s PRO 106 N -2.24 4.06 0.33 0.37 0.04 -1.26 -4.61 135.00 131.69 1hwg s PRO 106 Ca 0.06 0.89 0.09 0.00 0.04 0.00 0.00 61.00 62.08 1hwg s PRO 106 Cb -0.08 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 32.15 1hwg s PRO 106 CO 0.03 -0.03 -0.01 0.71 0.04 0.00 0.00 177.00 177.75 1hwg s TYR 107 N -2.23 2.53 -0.05 0.56 1.51 0.52 -2.57 117.35 117.62 1hwg s TYR 107 Ca 0.58 -0.41 -0.03 0.00 -1.01 0.00 0.00 57.07 56.20 1hwg s TYR 107 Cb -0.10 -1.41 0.02 0.00 -0.11 0.00 0.00 41.96 40.37 1hwg s TYR 107 CO 0.20 0.52 0.12 0.00 -1.11 0.00 0.00 175.55 175.27 1hwg s ILE 109 N 0.65 1.42 -0.02 0.00 -4.36 0.11 -1.60 121.20 117.41 1hwg s ILE 109 Ca -0.05 -1.66 0.00 0.00 -0.26 0.00 0.00 60.65 58.69 1hwg s ILE 109 Cb -0.07 -1.51 0.02 0.00 1.25 0.00 0.00 42.46 42.16 1hwg s ILE 109 CO -0.03 -0.32 0.01 -1.59 0.24 0.00 0.00 174.94 173.25 1hwg s LYS 110 N -2.43 0.13 -0.32 0.37 -2.85 0.01 -1.47 119.74 113.19 1hwg s LYS 110 Ca 0.08 0.08 -0.21 0.00 -1.00 0.00 0.00 55.97 54.92 1hwg s LYS 110 Cb -0.07 -0.31 -0.00 0.00 -2.06 0.00 0.00 37.83 35.40 1hwg s LYS 110 CO 0.04 -0.10 0.68 -0.51 0.10 0.00 0.00 175.35 175.56 1hwg s LEU 111 N 0.77 4.15 -0.42 2.77 1.43 0.13 -1.58 118.68 125.92 1hwg s LEU 111 Ca -0.07 0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 53.39 1hwg s LEU 111 Cb -0.10 -2.89 0.10 0.00 0.03 0.00 0.00 46.19 43.33 1hwg s LEU 111 CO -0.02 -0.56 0.25 -0.89 0.23 0.00 0.00 176.35 175.37 1hwg s THR 112 N 2.76 3.81 -0.42 5.49 2.01 0.07 -0.16 115.64 129.19 1hwg s THR 112 Ca 0.27 -1.76 -0.24 0.00 0.31 0.00 0.00 61.69 60.28 1hwg s THR 112 Cb -0.14 -3.48 0.02 0.00 0.01 0.00 0.00 72.50 68.91 1hwg s THR 112 CO 0.13 -0.63 0.85 -0.55 -0.69 0.00 0.00 174.62 173.72 1hwg s SER 113 N 2.14 6.51 -1.13 3.53 0.15 0.24 -1.18 113.70 123.96 1hwg s SER 113 Ca 0.05 0.18 -0.15 0.00 0.70 0.00 0.00 55.95 56.73 1hwg s SER 113 Cb -0.24 -2.42 -0.03 0.00 -1.71 0.00 0.00 66.02 61.63 1hwg s SER 113 CO -0.01 -0.90 0.82 -3.20 1.20 0.00 0.00 173.24 171.15 1hwg n ASN 114 N 6.78 -5.39 0.00 5.45 4.05 0.08 -1.72 115.26 124.51 1hwg n ASN 114 Ca 0.04 -0.92 0.00 0.00 0.45 0.00 0.00 54.58 54.15 1hwg n ASN 114 Cb 0.48 -3.91 0.00 0.00 1.23 0.00 0.00 39.78 37.58 1hwg n ASN 114 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1hwg n GLY 115 N -1.56 0.86 3.77 8.20 0.00 -1.26 -4.93 105.19 110.27 1hwg n GLY 115 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1hwg n GLY 115 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hwg s GLY 116 N 0.00 2.91 -0.06 -0.02 0.00 -0.70 -4.92 107.32 104.53 1hwg s GLY 116 Ca 0.00 0.61 -0.28 0.00 0.00 0.00 0.00 44.72 45.04 1hwg s GLY 116 CO 0.00 1.10 0.93 -1.59 0.00 0.00 0.00 173.10 173.54 1hwg s THR 117 N -1.46 4.87 -0.22 0.90 2.01 -1.26 0.80 115.64 121.28 1hwg s THR 117 Ca 0.48 1.92 0.03 0.00 0.31 0.00 0.00 61.69 64.43 1hwg s THR 117 Cb -0.22 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.01 1hwg s THR 117 CO 0.28 0.11 0.23 1.33 -0.69 0.00 0.00 174.62 175.88 1hwg n VAL 118 N 4.17 0.00 -3.57 3.82 0.24 0.77 -4.88 118.33 118.88 1hwg n VAL 118 Ca 0.06 -0.44 -0.13 0.00 -2.04 0.00 0.00 64.34 61.79 1hwg n VAL 118 Cb 0.50 1.01 -0.06 0.00 -1.47 0.00 0.00 33.84 33.83 1hwg n VAL 118 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1hwg s ASP 119 N -1.13 -0.49 -0.14 -1.34 2.15 -1.18 -4.86 116.67 109.69 1hwg s ASP 119 Ca 0.02 0.63 -0.16 0.00 0.43 0.00 0.00 52.55 53.47 1hwg s ASP 119 Cb 0.03 0.53 0.04 0.00 -0.30 0.00 0.00 42.92 43.22 1hwg s ASP 119 CO 0.12 -0.39 0.44 -0.70 -0.17 0.00 0.00 175.17 174.47 1hwg s GLU 120 N -0.85 0.56 -0.03 4.34 2.12 -1.26 0.19 118.70 123.77 1hwg s GLU 120 Ca -0.04 0.51 -0.25 0.00 0.36 0.00 0.00 54.97 55.55 1hwg s GLU 120 Cb -0.01 0.27 0.05 0.00 0.26 0.00 0.00 34.13 34.70 1hwg s GLU 120 CO 0.03 -0.09 0.54 -1.59 -0.54 0.00 0.00 175.26 173.62 1hwg s LYS 121 N -0.01 0.93 0.08 4.30 -2.85 -0.54 -5.00 119.74 116.65 1hwg s LYS 121 Ca -0.02 0.05 0.08 0.00 -1.00 0.00 0.00 55.97 55.08 1hwg s LYS 121 Cb -0.03 0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 36.14 1hwg s LYS 121 CO 0.01 -0.29 -0.20 0.00 0.10 0.00 0.00 175.35 174.97 1hwg s PHE 123 N -1.03 -0.08 0.13 0.00 -0.12 0.16 -4.97 117.98 112.06 1hwg s PHE 123 Ca 0.06 -0.13 0.08 0.00 -0.05 0.00 0.00 56.93 56.88 1hwg s PHE 123 Cb -0.09 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 1hwg s PHE 123 CO 0.03 -0.58 -0.09 -1.54 -0.05 0.00 0.00 175.22 172.99 1hwg s SER 124 N -2.98 4.39 0.37 1.98 1.04 -1.26 -0.35 113.70 116.89 1hwg s SER 124 Ca 0.14 -0.43 0.11 0.00 0.48 0.00 0.00 55.95 56.24 1hwg s SER 124 Cb 0.01 -0.82 0.88 0.00 0.10 0.00 0.00 66.02 66.19 1hwg s SER 124 CO -0.00 0.15 1.87 0.58 0.98 0.00 0.00 173.24 176.82 1hwg h VAL 125 N 3.07 0.81 -0.76 5.02 2.07 -1.81 -0.57 116.25 124.07 1hwg h VAL 125 Ca -0.48 -0.21 0.10 0.00 0.82 0.00 0.00 66.70 66.92 1hwg h VAL 125 Cb 1.18 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1hwg h VAL 125 CO 0.53 0.11 0.50 0.44 0.02 0.00 0.00 177.57 179.17 1hwg h ASP 126 N 0.62 0.59 0.72 0.57 3.32 -1.93 -1.20 116.42 119.12 1hwg h ASP 126 Ca 0.44 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.40 1hwg h ASP 126 Cb 0.80 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1hwg h ASP 126 CO -0.19 0.35 -0.52 -0.33 -1.72 0.00 0.00 179.24 176.82 1hwg h GLU 127 N 0.66 0.00 -0.65 3.56 5.08 -1.50 -2.65 114.58 119.08 1hwg h GLU 127 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1hwg h GLU 127 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1hwg h GLU 127 CO -0.13 0.52 0.00 0.44 -1.00 0.00 0.00 179.01 178.85 1hwg n ILE 128 N -3.69 1.86 -2.48 3.13 -5.35 -0.47 -4.48 119.36 107.88 1hwg n ILE 128 Ca -0.01 -1.14 -0.41 0.00 -0.27 0.00 0.00 62.75 60.93 1hwg n ILE 128 Cb 0.58 0.03 -0.04 0.00 -1.74 0.00 0.00 39.64 38.47 1hwg n ILE 128 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1hwg s VAL 129 N -1.96 3.78 -0.33 7.28 1.01 -1.12 0.46 120.40 129.52 1hwg s VAL 129 Ca 0.49 1.54 0.06 0.00 0.00 0.00 0.00 61.98 64.07 1hwg s VAL 129 Cb 0.32 -3.99 0.19 0.00 0.00 0.00 0.00 36.38 32.91 1hwg s VAL 129 CO 0.22 0.27 0.58 -1.58 0.00 0.00 0.00 175.10 174.59 1hwg s GLN 130 N -0.41 0.63 0.86 2.72 0.74 -0.22 -1.48 119.66 122.51 1hwg s GLN 130 Ca 0.50 0.21 -0.14 0.00 0.05 0.00 0.00 55.36 55.97 1hwg s GLN 130 Cb -0.30 0.12 0.02 0.00 1.10 0.00 0.00 33.01 33.95 1hwg s GLN 130 CO 0.36 -1.10 0.56 -2.30 -0.55 0.00 0.00 175.29 172.26 1hwg n PRO 131 N 5.06 -0.05 -2.92 1.67 -0.02 -1.26 -4.51 135.00 132.97 1hwg n PRO 131 Ca 0.07 0.04 -0.35 0.00 -2.02 0.00 0.00 63.50 61.23 1hwg n PRO 131 Cb 0.54 -1.93 -0.06 0.00 -0.02 0.00 0.00 33.50 32.02 1hwg n PRO 131 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1hwg s ASP 132 N -1.87 7.11 0.85 2.55 1.01 -1.26 -3.83 116.67 121.23 1hwg s ASP 132 Ca 0.62 1.63 -0.12 0.00 0.71 0.00 0.00 52.55 55.38 1hwg s ASP 132 Cb -0.27 -2.50 0.10 0.00 1.01 0.00 0.00 42.92 41.26 1hwg s ASP 132 CO 0.62 -0.12 1.15 -0.81 0.21 0.00 0.00 175.17 176.22 1hwg n PRO 133 N 0.23 -0.03 -1.21 8.23 -0.04 -1.24 -4.62 135.00 136.31 1hwg n PRO 133 Ca 0.02 0.07 -0.31 0.00 -0.04 0.00 0.00 63.50 63.24 1hwg n PRO 133 Cb 0.52 -2.39 0.10 0.00 -0.04 0.00 0.00 33.50 31.68 1hwg n PRO 133 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1hwg s PRO 134 N -4.24 2.09 0.31 0.54 0.02 -1.26 -4.30 135.00 128.16 1hwg s PRO 134 Ca 0.71 1.26 0.05 0.00 0.02 0.00 0.00 61.00 63.04 1hwg s PRO 134 Cb -0.27 -1.87 -0.06 0.00 0.02 0.00 0.00 34.50 32.31 1hwg s PRO 134 CO 0.54 -1.78 -0.00 0.96 -0.33 0.00 0.00 177.00 176.39 1hwg s ILE 135 N -2.80 1.48 -1.24 2.83 -4.36 0.73 -4.71 121.20 113.13 1hwg s ILE 135 Ca 0.63 -2.06 -0.02 0.00 -0.26 0.00 0.00 60.65 58.94 1hwg s ILE 135 Cb -0.19 -2.65 -0.01 0.00 1.25 0.00 0.00 42.46 40.87 1hwg s ILE 135 CO 0.55 -0.15 0.80 0.00 0.24 0.00 0.00 174.94 176.38 1hwg n ALA 136 N -0.66 -2.12 -1.94 2.27 0.00 -1.26 0.38 120.51 117.18 1hwg n ALA 136 Ca -0.04 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 1hwg n ALA 136 Cb 0.65 -2.66 -0.03 0.00 0.00 0.00 0.00 19.45 17.42 1hwg n ALA 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1hwg s LEU 137 N -6.44 4.43 0.21 0.00 1.02 -1.26 -4.32 118.68 112.31 1hwg s LEU 137 Ca 0.09 2.45 -0.05 0.00 0.02 0.00 0.00 54.13 56.65 1hwg s LEU 137 Cb -0.02 -3.62 -0.03 0.00 0.02 0.00 0.00 46.19 42.54 1hwg s LEU 137 CO 0.79 -0.51 0.23 0.21 0.02 0.00 0.00 176.35 177.09 1hwg s ASN 138 N 0.13 0.08 0.01 2.29 3.84 0.60 -4.99 114.94 116.90 1hwg s ASN 138 Ca 0.55 -1.22 -0.14 0.00 0.21 0.00 0.00 52.86 52.26 1hwg s ASN 138 Cb -0.37 0.44 0.02 0.00 -0.55 0.00 0.00 41.25 40.79 1hwg s ASN 138 CO 0.41 -0.92 0.29 -1.66 -2.79 0.00 0.00 177.10 172.43 1hwg s TRP 139 N -4.10 -0.13 0.06 0.43 1.48 -1.26 -0.60 118.94 114.82 1hwg s TRP 139 Ca 0.32 0.12 0.06 0.00 -1.06 0.00 0.00 56.10 55.55 1hwg s TRP 139 Cb 0.05 0.08 -0.03 0.00 -1.16 0.00 0.00 33.47 32.41 1hwg s TRP 139 CO 0.10 -0.42 -0.18 0.99 -4.06 0.00 0.00 176.95 173.38 1hwg s THR 140 N -1.76 1.41 -0.37 0.66 2.01 0.20 -4.94 115.64 112.85 1hwg s THR 140 Ca -0.11 -1.25 -0.21 0.00 0.31 0.00 0.00 61.69 60.43 1hwg s THR 140 Cb -0.04 -1.28 0.01 0.00 0.01 0.00 0.00 72.50 71.20 1hwg s THR 140 CO 0.01 -0.01 0.67 -0.22 -0.69 0.00 0.00 174.62 174.38 1hwg s LEU 141 N -1.47 4.27 -0.10 4.42 2.96 -1.26 -0.79 118.68 126.71 1hwg s LEU 141 Ca 0.04 0.09 -0.09 0.00 -0.22 0.00 0.00 54.13 53.95 1hwg s LEU 141 Cb -0.09 -2.82 -0.07 0.00 0.50 0.00 0.00 46.19 43.70 1hwg s LEU 141 CO 0.02 -0.66 0.28 -0.07 -1.32 0.00 0.00 176.35 174.61 1hwg h LEU 142 N 9.51 -0.05 -7.00 -0.68 3.38 -1.30 -3.49 115.31 115.68 1hwg h LEU 142 Ca -0.26 -0.24 0.22 0.00 0.09 0.00 0.00 57.88 57.70 1hwg h LEU 142 Cb 1.10 0.01 -0.25 0.00 0.09 0.00 0.00 40.66 41.62 1hwg h LEU 142 CO 0.86 0.55 0.87 0.54 0.09 0.00 0.00 178.44 181.35 1hwg s ASN 143 N -5.64 -0.11 -0.04 -0.43 6.03 -1.18 -5.02 114.94 108.57 1hwg s ASN 143 Ca -0.06 0.09 -0.02 0.00 -1.03 0.00 0.00 52.86 51.85 1hwg s ASN 143 Cb -0.01 0.09 -0.04 0.00 -3.03 0.00 0.00 41.25 38.27 1hwg s ASN 143 CO 0.20 -0.12 0.07 0.54 -2.03 0.00 0.00 177.10 175.77 1hwg s VAL 144 N -1.33 4.73 1.35 3.54 0.11 -1.26 -1.64 120.40 125.89 1hwg s VAL 144 Ca 0.07 -0.29 -0.20 0.00 -2.93 0.00 0.00 61.98 58.64 1hwg s VAL 144 Cb -0.01 -3.11 0.33 0.00 -1.53 0.00 0.00 36.38 32.07 1hwg s VAL 144 CO -0.05 0.45 0.84 -1.54 -3.33 0.00 0.00 175.10 171.46 1hwg n SER 145 N 1.52 -3.30 0.03 3.54 3.41 0.09 -4.91 113.62 114.01 1hwg n SER 145 Ca -0.15 -0.60 -0.11 0.00 -0.26 0.00 0.00 58.87 57.75 1hwg n SER 145 Cb 0.53 -1.07 0.02 0.00 -0.26 0.00 0.00 64.21 63.44 1hwg n SER 145 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1hwg h LEU 146 N -3.24 0.57 -1.40 1.04 5.85 -1.99 -3.15 115.31 112.98 1hwg h LEU 146 Ca -0.47 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 57.84 1hwg h LEU 146 Cb 1.30 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1hwg h LEU 146 CO 0.33 1.10 -0.12 0.71 -0.34 0.00 0.00 178.44 180.12 1hwg h THR 147 N 0.34 1.17 0.00 1.05 1.35 -1.95 -3.46 112.91 111.41 1hwg h THR 147 Ca -0.03 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1hwg h THR 147 Cb 1.28 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1hwg h THR 147 CO 0.13 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 1hwg n GLY 148 N -0.89 0.68 0.13 5.82 0.00 -1.19 -4.96 105.19 104.77 1hwg n GLY 148 Ca -0.01 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 1hwg n GLY 148 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1hwg n ILE 149 N -2.58 1.62 -4.38 -0.61 5.41 -1.26 -4.72 119.36 112.85 1hwg n ILE 149 Ca 0.00 -0.49 -0.24 0.00 1.00 0.00 0.00 62.75 63.03 1hwg n ILE 149 Cb 0.00 -1.72 -0.09 0.00 -0.71 0.00 0.00 39.64 37.12 1hwg n ILE 149 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1hwg s HIS 150 N -2.51 2.49 0.10 1.39 3.76 -1.26 -0.75 115.29 118.51 1hwg s HIS 150 Ca -0.29 -0.28 0.01 0.00 -0.15 0.00 0.00 55.06 54.35 1hwg s HIS 150 Cb 0.08 -1.09 -0.04 0.00 1.11 0.00 0.00 32.58 32.64 1hwg s HIS 150 CO 0.65 0.67 -0.05 0.00 -0.85 0.00 0.00 174.74 175.16 1hwg s ALA 151 N -2.41 0.95 -0.14 -1.40 0.00 -0.01 -0.73 121.76 118.02 1hwg s ALA 151 Ca 0.31 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1hwg s ALA 151 Cb -0.06 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.32 1hwg s ALA 151 CO 0.17 -0.27 -0.17 -0.51 0.00 0.00 0.00 175.76 174.98 1hwg s ASP 152 N -3.04 2.79 0.45 0.00 1.01 -0.65 -2.28 116.67 114.95 1hwg s ASP 152 Ca 0.13 -0.52 0.05 0.00 0.71 0.00 0.00 52.55 52.91 1hwg s ASP 152 Cb 0.06 -1.26 -0.05 0.00 1.01 0.00 0.00 42.92 42.68 1hwg s ASP 152 CO -0.04 -0.01 0.05 0.27 0.21 0.00 0.00 175.17 175.65 1hwg s ILE 153 N 1.24 1.73 -0.07 0.77 -4.36 0.16 -0.81 121.20 119.86 1hwg s ILE 153 Ca 0.01 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 58.47 1hwg s ILE 153 Cb -0.14 -2.65 0.02 0.00 1.25 0.00 0.00 42.46 40.94 1hwg s ILE 153 CO -0.08 0.00 -0.06 -1.58 0.24 0.00 0.00 174.94 173.46 1hwg s GLN 154 N -3.83 1.10 -0.15 0.37 0.74 0.03 -1.15 119.66 116.77 1hwg s GLN 154 Ca 0.25 -0.16 -0.09 0.00 0.05 0.00 0.00 55.36 55.41 1hwg s GLN 154 Cb 0.05 -1.12 -0.05 0.00 1.10 0.00 0.00 33.01 33.00 1hwg s GLN 154 CO 0.13 -0.14 0.16 0.08 -0.55 0.00 0.00 175.29 174.98 1hwg s VAL 155 N 1.21 5.43 0.07 1.34 1.01 -0.28 0.60 120.40 129.78 1hwg s VAL 155 Ca -0.06 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.23 1hwg s VAL 155 Cb -0.14 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 1hwg s VAL 155 CO -0.02 0.53 -0.12 0.00 0.00 0.00 0.00 175.10 175.49 1hwg s ARG 156 N -0.37 0.76 0.30 2.72 3.03 0.23 -1.68 118.95 123.95 1hwg s ARG 156 Ca 0.13 -0.94 -0.03 0.00 2.03 0.00 0.00 55.73 56.92 1hwg s ARG 156 Cb -0.12 -0.67 0.01 0.00 -1.03 0.00 0.00 34.95 33.14 1hwg s ARG 156 CO 0.02 0.14 0.45 -2.67 -1.13 0.00 0.00 175.30 172.11 1hwg n TRP 157 N 1.22 -1.43 -4.26 5.89 2.14 -0.78 -0.29 117.44 119.93 1hwg n TRP 157 Ca -0.21 -1.90 -0.18 0.00 2.07 0.00 0.00 57.50 57.28 1hwg n TRP 157 Cb 0.55 0.51 -0.13 0.00 -0.81 0.00 0.00 31.31 31.43 1hwg n TRP 157 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1hwg s GLU 158 N -2.57 0.80 0.67 -2.67 2.02 0.16 -4.81 118.70 112.29 1hwg s GLU 158 Ca 0.22 -0.72 -0.16 0.00 0.02 0.00 0.00 54.97 54.34 1hwg s GLU 158 Cb -0.01 -0.76 0.01 0.00 0.10 0.00 0.00 34.13 33.46 1hwg s GLU 158 CO 0.16 0.18 1.15 0.00 0.02 0.00 0.00 175.26 176.77 1hwg s ALA 159 N -0.91 2.38 0.46 5.21 0.00 -1.26 -0.19 121.76 127.44 1hwg s ALA 159 Ca -0.01 0.71 -0.24 0.00 0.00 0.00 0.00 51.96 52.42 1hwg s ALA 159 Cb -0.08 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 1hwg s ALA 159 CO 0.01 -1.42 1.33 -1.25 0.00 0.00 0.00 175.76 174.42 1hwg s PRO 160 N -3.91 3.66 0.39 0.00 0.04 -1.26 -4.48 135.00 129.43 1hwg s PRO 160 Ca 0.70 2.18 0.21 0.00 0.04 0.00 0.00 61.00 64.14 1hwg s PRO 160 Cb -0.24 -2.56 1.20 0.00 0.04 0.00 0.00 34.50 32.95 1hwg s PRO 160 CO 0.41 -0.76 1.69 0.00 0.04 0.00 0.00 177.00 178.38 1hwg h ARG 161 N 2.19 0.26 -0.15 4.56 2.47 -1.92 -0.32 114.38 121.47 1hwg h ARG 161 Ca -0.50 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.20 1hwg h ARG 161 Cb 1.26 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 1hwg h ARG 161 CO 0.60 0.17 0.00 0.27 0.56 0.00 0.00 179.97 181.58 1hwg n ASN 162 N -4.79 0.15 -0.12 7.04 6.94 -1.26 -3.12 115.26 120.09 1hwg n ASN 162 Ca 0.31 -1.58 -0.25 0.00 -0.02 0.00 0.00 54.58 53.04 1hwg n ASN 162 Cb 1.09 -0.07 -0.08 0.00 -2.36 0.00 0.00 39.78 38.36 1hwg n ASN 162 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hwg n ALA 163 N -0.39 1.48 -0.28 -2.53 0.00 -0.13 -3.90 120.51 114.77 1hwg n ALA 163 Ca 0.00 -0.94 0.21 0.00 0.00 0.00 0.00 53.44 52.72 1hwg n ALA 163 Cb 0.04 0.19 0.52 0.00 0.00 0.00 0.00 19.45 20.20 1hwg n ALA 163 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1hwg h ASP 164 N -0.83 0.40 0.08 0.00 3.32 -1.64 0.38 116.42 118.13 1hwg h ASP 164 Ca -0.60 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 56.50 1hwg h ASP 164 Cb 1.53 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.06 1hwg h ASP 164 CO -0.36 0.13 -0.04 0.40 -1.72 0.00 0.00 179.24 177.65 1hwg h ILE 165 N 0.38 1.11 0.00 0.35 1.08 -1.76 -3.24 117.51 115.43 1hwg h ILE 165 Ca 0.52 -0.68 -0.34 0.00 -0.39 0.00 0.00 64.86 63.98 1hwg h ILE 165 Cb 1.35 1.54 -0.03 0.00 -3.07 0.00 0.00 36.82 36.61 1hwg h ILE 165 CO -0.21 0.17 1.04 0.00 -0.69 0.00 0.00 178.15 178.46 1hwg n GLN 166 N -4.99 2.49 -1.68 2.37 3.00 0.13 -4.93 117.38 113.76 1hwg n GLN 166 Ca -0.08 -1.36 -0.44 0.00 -0.01 0.00 0.00 57.00 55.10 1hwg n GLN 166 Cb 0.19 -2.25 -0.04 0.00 0.00 0.00 0.00 30.24 28.15 1hwg n GLN 166 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1hwg n LYS 167 N 2.90 2.56 0.00 -1.09 4.76 -1.18 -1.30 118.16 124.81 1hwg n LYS 167 Ca 0.53 0.93 0.00 0.00 -2.87 0.00 0.00 58.31 56.90 1hwg n LYS 167 Cb 0.66 -2.80 0.00 0.00 -1.84 0.00 0.00 35.03 31.05 1hwg n LYS 167 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1hwg n GLY 168 N 4.12 2.97 0.13 0.72 0.00 -1.26 -4.78 105.19 107.08 1hwg n GLY 168 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1hwg n GLY 168 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1hwg n TRP 169 N -2.00 1.03 -3.97 1.61 -0.00 -0.42 -4.88 117.44 108.81 1hwg n TRP 169 Ca 0.00 0.28 -0.35 0.00 -0.00 0.00 0.00 57.50 57.43 1hwg n TRP 169 Cb 0.00 -1.13 -0.09 0.00 -0.00 0.00 0.00 31.31 30.10 1hwg n TRP 169 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 177.69 176.05 1hwg s MET 170 N -2.50 3.78 -0.00 5.87 -1.94 -0.98 -5.03 119.30 118.50 1hwg s MET 170 Ca -0.26 -0.28 -0.00 0.00 -1.71 0.00 0.00 55.69 53.44 1hwg s MET 170 Cb 0.07 -3.19 -0.00 0.00 2.01 0.00 0.00 34.83 33.72 1hwg s MET 170 CO 0.69 0.44 -0.00 0.28 -0.01 0.00 0.00 175.02 176.42 1hwg n VAL 171 N 3.03 0.00 -0.26 -6.03 0.31 -1.26 -4.92 118.33 109.20 1hwg n VAL 171 Ca -0.17 0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.66 1hwg n VAL 171 Cb 0.53 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 1hwg n VAL 171 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1hwg n LEU 172 N -2.42 -1.74 -4.09 7.52 4.77 -1.24 -4.89 117.00 114.91 1hwg n LEU 172 Ca -0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 1hwg n LEU 172 Cb 0.00 -0.19 -0.15 0.00 -2.33 0.00 0.00 43.42 40.75 1hwg n LEU 172 CO 0.00 0.00 -0.47 -1.83 -1.33 0.00 0.00 177.39 173.76 1hwg s GLU 173 N -3.44 1.20 0.12 3.23 -1.05 -0.27 -4.69 118.70 113.81 1hwg s GLU 173 Ca 0.00 -0.48 0.07 0.00 -0.15 0.00 0.00 54.97 54.41 1hwg s GLU 173 Cb 0.00 -1.13 -0.04 0.00 -0.44 0.00 0.00 34.13 32.52 1hwg s GLU 173 CO 0.00 0.26 -0.06 0.71 0.95 0.00 0.00 175.26 177.12 1hwg s TYR 174 N -0.18 2.80 -0.13 4.83 1.51 0.10 -2.03 117.35 124.26 1hwg s TYR 174 Ca 0.02 -0.13 0.01 0.00 -1.01 0.00 0.00 57.07 55.96 1hwg s TYR 174 Cb -0.07 -1.43 0.02 0.00 -0.11 0.00 0.00 41.96 40.37 1hwg s TYR 174 CO 0.00 0.46 -0.15 -2.00 -1.11 0.00 0.00 175.55 172.75 1hwg s GLU 175 N -2.43 2.35 -0.12 -0.62 2.12 -0.26 -1.00 118.70 118.74 1hwg s GLU 175 Ca 0.24 -0.59 -0.06 0.00 0.36 0.00 0.00 54.97 54.91 1hwg s GLU 175 Cb -0.11 -2.07 -0.04 0.00 0.26 0.00 0.00 34.13 32.17 1hwg s GLU 175 CO 0.16 -0.16 0.10 -1.17 -0.54 0.00 0.00 175.26 173.65 1hwg s LEU 176 N 1.25 4.15 0.11 2.70 2.96 -1.26 -1.63 118.68 126.95 1hwg s LEU 176 Ca -0.00 0.35 0.07 0.00 -0.22 0.00 0.00 54.13 54.32 1hwg s LEU 176 Cb -0.14 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 1hwg s LEU 176 CO -0.07 0.36 -0.17 -1.10 -1.32 0.00 0.00 176.35 174.06 1hwg s GLN 177 N -0.77 1.03 0.19 1.98 -0.21 -0.04 -0.95 119.66 120.90 1hwg s GLN 177 Ca 0.13 -1.17 -0.15 0.00 0.02 0.00 0.00 55.36 54.19 1hwg s GLN 177 Cb -0.12 -1.08 0.01 0.00 1.00 0.00 0.00 33.01 32.83 1hwg s GLN 177 CO 0.03 0.23 0.45 1.52 -2.12 0.00 0.00 175.29 175.40 1hwg s TYR 178 N -1.64 0.07 -0.23 0.91 1.13 0.43 -1.97 117.35 116.05 1hwg s TYR 178 Ca 0.06 -0.42 -0.37 0.00 -1.41 0.00 0.00 57.07 54.94 1hwg s TYR 178 Cb -0.08 0.25 0.15 0.00 -1.10 0.00 0.00 41.96 41.18 1hwg s TYR 178 CO 0.04 -0.87 1.28 -1.59 -2.51 0.00 0.00 175.55 171.90 1hwg s LYS 179 N -3.91 0.19 0.35 -3.49 -2.85 -0.89 0.56 119.74 109.69 1hwg s LYS 179 Ca 0.12 -0.07 -0.29 0.00 -1.00 0.00 0.00 55.97 54.74 1hwg s LYS 179 Cb 0.00 0.09 -0.11 0.00 -2.06 0.00 0.00 37.83 35.75 1hwg s LYS 179 CO -0.01 -0.08 1.42 -1.21 0.10 0.00 0.00 175.35 175.57 1hwg s GLU 180 N -2.26 4.22 0.22 1.78 2.02 -1.26 -1.25 118.70 122.16 1hwg s GLU 180 Ca 0.10 2.42 -0.12 0.00 0.02 0.00 0.00 54.97 57.39 1hwg s GLU 180 Cb -0.01 -3.02 0.28 0.00 0.10 0.00 0.00 34.13 31.48 1hwg s GLU 180 CO -0.04 -0.40 1.62 0.28 0.02 0.00 0.00 175.26 176.75 1hwg h VAL 181 N 3.05 0.34 -1.41 2.63 2.07 -1.39 -1.82 116.25 119.72 1hwg h VAL 181 Ca -0.50 -0.00 -0.69 0.00 0.82 0.00 0.00 66.70 66.33 1hwg h VAL 181 Cb 1.23 0.32 -0.18 0.00 -1.52 0.00 0.00 31.29 31.15 1hwg h VAL 181 CO 0.66 0.00 1.50 0.59 0.02 0.00 0.00 177.57 180.34 1hwg n ASN 182 N -5.43 7.46 -4.17 0.57 5.03 -1.26 -4.89 115.26 112.56 1hwg n ASN 182 Ca 0.09 -3.32 -0.14 0.00 0.87 0.00 0.00 54.58 52.08 1hwg n ASN 182 Cb 0.36 -1.26 -0.11 0.00 -1.02 0.00 0.00 39.78 37.75 1hwg n ASN 182 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1hwg s GLU 183 N -2.16 0.82 -0.22 3.52 2.12 -0.69 -5.09 118.70 117.01 1hwg s GLU 183 Ca 0.52 -1.16 -0.20 0.00 0.36 0.00 0.00 54.97 54.50 1hwg s GLU 183 Cb 0.26 -0.46 -0.18 0.00 0.26 0.00 0.00 34.13 34.02 1hwg s GLU 183 CO -0.17 0.06 0.11 2.41 -0.54 0.00 0.00 175.26 177.14 1hwg n THR 184 N 0.53 1.53 -1.84 -1.70 -1.04 -1.26 -4.92 114.28 105.57 1hwg n THR 184 Ca -0.16 -0.08 -0.31 0.00 -2.04 0.00 0.00 64.05 61.47 1hwg n THR 184 Cb 0.58 -2.02 0.02 0.00 -1.82 0.00 0.00 70.33 67.08 1hwg n THR 184 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1hwg s LYS 185 N -2.39 3.45 -0.09 -2.82 -2.85 -1.26 -5.06 119.74 108.72 1hwg s LYS 185 Ca -0.30 0.73 -0.00 0.00 -1.00 0.00 0.00 55.97 55.40 1hwg s LYS 185 Cb 0.07 -2.06 -0.03 0.00 -2.06 0.00 0.00 37.83 33.75 1hwg s LYS 185 CO 0.57 -0.67 -0.07 -1.58 0.10 0.00 0.00 175.35 173.69 1hwg s TRP 186 N -3.19 2.94 0.12 1.78 0.52 -1.26 -4.83 118.94 115.01 1hwg s TRP 186 Ca 0.56 -0.10 -0.24 0.00 0.02 0.00 0.00 56.10 56.33 1hwg s TRP 186 Cb -0.11 -1.77 -0.07 0.00 -1.15 0.00 0.00 33.47 30.37 1hwg s TRP 186 CO 0.54 0.21 0.74 -1.59 0.02 0.00 0.00 176.95 176.86 1hwg s LYS 187 N -0.48 4.49 -0.04 4.98 0.00 0.19 -4.90 119.74 123.98 1hwg s LYS 187 Ca 0.07 1.06 0.06 0.00 0.00 0.00 0.00 55.97 57.16 1hwg s LYS 187 Cb -0.12 -3.29 -0.01 0.00 0.00 0.00 0.00 37.83 34.41 1hwg s LYS 187 CO 0.02 0.51 -0.21 -1.64 0.00 0.00 0.00 175.35 174.03 1hwg s MET 188 N -0.85 1.99 0.10 1.78 1.00 -1.26 -0.43 119.30 121.64 1hwg s MET 188 Ca 0.35 -0.75 0.02 0.00 0.00 0.00 0.00 55.69 55.31 1hwg s MET 188 Cb -0.22 -1.77 -0.04 0.00 0.00 0.00 0.00 34.83 32.80 1hwg s MET 188 CO 0.24 0.36 0.19 -1.64 0.00 0.00 0.00 175.02 174.16 1hwg s MET 189 N -0.20 3.22 0.51 2.03 -1.94 -0.13 -5.01 119.30 117.78 1hwg s MET 189 Ca 0.00 -0.61 -0.20 0.00 -1.71 0.00 0.00 55.69 53.18 1hwg s MET 189 Cb -0.11 -2.88 -0.07 0.00 2.01 0.00 0.00 34.83 33.77 1hwg s MET 189 CO 0.02 0.56 1.08 -0.51 -0.01 0.00 0.00 175.02 176.16 1hwg s ASP 190 N -2.76 6.04 0.15 3.03 1.01 -1.26 -4.21 116.67 118.67 1hwg s ASP 190 Ca 0.33 2.05 -0.34 0.00 0.71 0.00 0.00 52.55 55.30 1hwg s ASP 190 Cb -0.12 -2.57 -0.15 0.00 1.01 0.00 0.00 42.92 41.09 1hwg s ASP 190 CO 0.26 -1.00 1.32 -0.81 0.21 0.00 0.00 175.17 175.15 1hwg n PRO 191 N -1.12 1.43 -4.29 8.23 -0.04 -1.26 -4.76 135.00 133.18 1hwg n PRO 191 Ca 0.10 0.51 -0.19 0.00 -0.04 0.00 0.00 63.50 63.89 1hwg n PRO 191 Cb 0.52 -2.12 -0.11 0.00 -0.04 0.00 0.00 33.50 31.75 1hwg n PRO 191 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1hwg s ILE 192 N 0.21 1.56 -2.59 0.52 -4.36 -0.17 -4.89 121.20 111.48 1hwg s ILE 192 Ca 0.77 -1.93 0.24 0.00 -0.26 0.00 0.00 60.65 59.47 1hwg s ILE 192 Cb -0.83 -1.78 0.19 0.00 1.25 0.00 0.00 42.46 41.28 1hwg s ILE 192 CO 0.48 -0.47 1.29 0.18 0.24 0.00 0.00 174.94 176.67 1hwg n LEU 193 N 0.16 2.41 -4.97 0.37 4.77 -1.26 0.01 117.00 118.49 1hwg n LEU 193 Ca -0.12 -0.82 -0.21 0.00 -0.03 0.00 0.00 56.01 54.83 1hwg n LEU 193 Cb 0.58 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.68 1hwg n LEU 193 CO 0.30 0.41 0.22 0.42 -1.33 0.00 0.00 177.39 177.42 1hwg s THR 194 N -2.17 3.64 -0.44 -5.08 -4.23 -1.26 -4.91 115.64 101.20 1hwg s THR 194 Ca 0.26 -0.73 0.04 0.00 -1.18 0.00 0.00 61.69 60.09 1hwg s THR 194 Cb 0.20 -3.31 0.50 0.00 1.34 0.00 0.00 72.50 71.23 1hwg s THR 194 CO 0.39 -0.18 1.65 0.35 -0.54 0.00 0.00 174.62 176.30 1hwg n THR 195 N -1.98 2.99 -3.63 3.99 -2.24 -1.26 -4.78 114.28 107.36 1hwg n THR 195 Ca 0.03 -3.02 -0.12 0.00 -2.27 0.00 0.00 64.05 58.67 1hwg n THR 195 Cb 0.58 -0.79 -0.07 0.00 -2.10 0.00 0.00 70.33 67.95 1hwg n THR 195 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1hwg s SER 196 N -2.37 -0.63 -0.08 3.42 0.15 -1.26 -1.86 113.70 111.07 1hwg s SER 196 Ca 0.54 1.21 -0.27 0.00 0.70 0.00 0.00 55.95 58.14 1hwg s SER 196 Cb 0.45 1.23 0.06 0.00 -1.71 0.00 0.00 66.02 66.05 1hwg s SER 196 CO 0.02 -0.21 0.62 0.54 1.20 0.00 0.00 173.24 175.41 1hwg s VAL 197 N 0.33 0.01 0.05 4.45 0.11 -0.68 -5.01 120.40 119.66 1hwg s VAL 197 Ca 0.01 -0.07 -0.06 0.00 -2.93 0.00 0.00 61.98 58.93 1hwg s VAL 197 Cb -0.05 -0.92 -0.05 0.00 -1.53 0.00 0.00 36.38 33.83 1hwg s VAL 197 CO -0.02 -0.04 0.30 -2.16 -3.33 0.00 0.00 175.10 169.85 1hwg s PRO 198 N -0.89 3.59 -0.22 1.54 0.04 -1.26 -1.13 135.00 136.67 1hwg s PRO 198 Ca -0.09 -0.10 -0.03 0.00 0.04 0.00 0.00 61.00 60.82 1hwg s PRO 198 Cb -0.02 -3.01 -0.01 0.00 0.04 0.00 0.00 34.50 31.50 1hwg s PRO 198 CO 0.07 0.59 -0.06 0.08 0.04 0.00 0.00 177.00 177.73 1hwg s VAL 199 N -1.41 3.25 0.36 -0.36 1.01 -0.30 -4.95 120.40 118.00 1hwg s VAL 199 Ca 0.32 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.84 1hwg s VAL 199 Cb -0.13 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 1hwg s VAL 199 CO 0.20 0.44 0.35 -0.31 0.00 0.00 0.00 175.10 175.77 1hwg s TYR 200 N 1.44 2.86 -1.59 5.22 2.02 -1.26 -0.67 117.35 125.37 1hwg s TYR 200 Ca 0.05 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1hwg s TYR 200 Cb -0.14 -1.96 0.00 0.00 -0.40 0.00 0.00 41.96 39.46 1hwg s TYR 200 CO -0.04 0.04 0.00 0.43 -1.57 0.00 0.00 175.55 174.41 1hwg n SER 201 N -1.48 -5.08 -4.83 2.29 7.64 -1.05 -4.97 113.62 106.13 1hwg n SER 201 Ca 0.01 0.12 -0.32 0.00 1.01 0.00 0.00 58.87 59.69 1hwg n SER 201 Cb 0.60 -4.15 0.00 0.00 -1.01 0.00 0.00 64.21 59.66 1hwg n SER 201 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1hwg s LEU 202 N -4.65 3.41 -0.20 -3.43 1.43 -0.97 -4.80 118.68 109.48 1hwg s LEU 202 Ca 0.00 1.62 -0.11 0.00 -1.03 0.00 0.00 54.13 54.61 1hwg s LEU 202 Cb 0.00 -4.50 -0.05 0.00 0.03 0.00 0.00 46.19 41.67 1hwg s LEU 202 CO 0.00 -0.97 0.17 -0.54 0.23 0.00 0.00 176.35 175.23 1hwg s LYS 203 N -4.49 4.18 0.50 1.70 1.02 -1.26 -0.83 119.74 120.56 1hwg s LYS 203 Ca 0.59 -0.17 0.15 0.00 0.02 0.00 0.00 55.97 56.56 1hwg s LYS 203 Cb -0.13 -3.45 1.19 0.00 -0.52 0.00 0.00 37.83 34.93 1hwg s LYS 203 CO 0.42 0.24 2.13 0.28 -0.92 0.00 0.00 175.35 177.50 1hwg h VAL 204 N 4.74 1.02 -0.16 3.17 2.07 -1.23 -2.91 116.25 122.96 1hwg h VAL 204 Ca -0.40 -0.06 -0.11 0.00 0.82 0.00 0.00 66.70 66.96 1hwg h VAL 204 Cb 1.16 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 1hwg h VAL 204 CO 0.74 0.02 0.14 -0.90 0.02 0.00 0.00 177.57 177.59 1hwg n ASP 205 N -4.52 5.49 -3.47 0.57 5.75 -1.26 -4.51 116.55 114.61 1hwg n ASP 205 Ca -0.02 -2.60 -0.13 0.00 -0.01 0.00 0.00 54.79 52.03 1hwg n ASP 205 Cb 0.09 -1.06 -0.03 0.00 -1.03 0.00 0.00 41.12 39.09 1hwg n ASP 205 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1hwg s LYS 206 N -0.60 1.12 -0.09 0.11 1.02 -1.10 -5.15 119.74 115.05 1hwg s LYS 206 Ca 0.10 -0.20 -0.02 0.00 0.02 0.00 0.00 55.97 55.87 1hwg s LYS 206 Cb 0.08 0.52 -0.03 0.00 -0.52 0.00 0.00 37.83 37.88 1hwg s LYS 206 CO 0.00 -0.45 0.01 -2.00 -0.92 0.00 0.00 175.35 172.00 1hwg s GLU 207 N -2.76 3.02 0.29 1.68 2.12 -1.26 -3.97 118.70 117.80 1hwg s GLU 207 Ca -0.02 -0.39 0.09 0.00 0.36 0.00 0.00 54.97 55.01 1hwg s GLU 207 Cb -0.01 -2.82 -0.06 0.00 0.26 0.00 0.00 34.13 31.50 1hwg s GLU 207 CO -0.05 0.71 -0.11 0.71 -0.54 0.00 0.00 175.26 175.98 1hwg s TYR 208 N -0.90 2.11 0.01 5.30 1.51 0.12 -1.03 117.35 124.46 1hwg s TYR 208 Ca 0.14 -0.54 0.04 0.00 -1.01 0.00 0.00 57.07 55.69 1hwg s TYR 208 Cb -0.11 -1.11 -0.01 0.00 -0.11 0.00 0.00 41.96 40.61 1hwg s TYR 208 CO 0.03 0.47 -0.12 -1.83 -1.11 0.00 0.00 175.55 172.99 1hwg s GLU 209 N -3.63 0.90 -0.03 -0.62 -1.05 -0.38 -0.07 118.70 113.82 1hwg s GLU 209 Ca 0.29 -0.52 0.03 0.00 -0.15 0.00 0.00 54.97 54.62 1hwg s GLU 209 Cb 0.01 -0.87 -0.00 0.00 -0.44 0.00 0.00 34.13 32.82 1hwg s GLU 209 CO 0.13 0.23 -0.13 0.08 0.95 0.00 0.00 175.26 176.52 1hwg s VAL 210 N -0.49 1.04 -0.02 1.83 1.01 0.23 -2.10 120.40 121.91 1hwg s VAL 210 Ca 0.03 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 1hwg s VAL 210 Cb -0.06 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.43 1hwg s VAL 210 CO 0.00 0.31 0.16 0.00 0.00 0.00 0.00 175.10 175.57 1hwg s ARG 211 N -0.01 0.42 0.02 2.72 1.70 -0.83 0.73 118.95 123.71 1hwg s ARG 211 Ca -0.01 -0.22 0.01 0.00 -0.47 0.00 0.00 55.73 55.05 1hwg s ARG 211 Cb -0.08 0.18 -0.02 0.00 -0.57 0.00 0.00 34.95 34.46 1hwg s ARG 211 CO 0.01 -0.10 -0.05 0.54 -1.08 0.00 0.00 175.30 174.62 1hwg s VAL 212 N -1.00 0.32 0.13 4.99 0.11 -1.26 -0.86 120.40 122.83 1hwg s VAL 212 Ca -0.11 -0.71 0.06 0.00 -2.93 0.00 0.00 61.98 58.29 1hwg s VAL 212 Cb -0.06 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 1hwg s VAL 212 CO 0.01 -0.26 -0.14 0.00 -3.33 0.00 0.00 175.10 171.38 1hwg s ARG 213 N -1.03 1.05 0.39 1.54 1.70 -0.65 -1.27 118.95 120.68 1hwg s ARG 213 Ca -0.08 -1.26 0.08 0.00 -0.47 0.00 0.00 55.73 54.00 1hwg s ARG 213 Cb -0.07 -0.95 -0.05 0.00 -0.57 0.00 0.00 34.95 33.32 1hwg s ARG 213 CO -0.00 0.18 0.19 -1.54 -1.08 0.00 0.00 175.30 173.05 1hwg s SER 214 N -2.49 4.57 -0.07 -2.89 1.04 -1.26 -1.10 113.70 111.50 1hwg s SER 214 Ca 0.10 -0.94 -0.28 0.00 0.48 0.00 0.00 55.95 55.31 1hwg s SER 214 Cb -0.05 -0.56 0.06 0.00 0.10 0.00 0.00 66.02 65.57 1hwg s SER 214 CO 0.03 -0.48 0.62 -0.75 0.98 0.00 0.00 173.24 173.65 1hwg s LYS 215 N -3.91 0.97 0.34 4.02 2.20 -0.86 -0.96 119.74 121.55 1hwg s LYS 215 Ca 0.41 0.26 -0.26 0.00 -0.36 0.00 0.00 55.97 56.02 1hwg s LYS 215 Cb 0.01 0.46 -0.09 0.00 -1.51 0.00 0.00 37.83 36.69 1hwg s LYS 215 CO 0.23 -0.28 1.06 -1.14 -0.36 0.00 0.00 175.35 174.85 1hwg s GLN 216 N -1.05 4.39 -0.23 4.03 2.00 -1.26 -1.11 119.66 126.43 1hwg s GLN 216 Ca -0.10 1.61 -0.34 0.00 -2.00 0.00 0.00 55.36 54.52 1hwg s GLN 216 Cb -0.01 -2.83 -0.11 0.00 0.80 0.00 0.00 33.01 30.86 1hwg s GLN 216 CO 0.08 0.04 2.05 0.54 -0.50 0.00 0.00 175.29 177.51 1hwg n ARG 217 N 0.50 1.60 -4.12 1.67 5.12 -1.26 -3.10 116.66 117.07 1hwg n ARG 217 Ca 0.02 0.51 -0.44 0.00 -1.93 0.00 0.00 57.85 56.01 1hwg n ARG 217 Cb 0.48 -2.62 0.00 0.00 -1.16 0.00 0.00 32.46 29.16 1hwg n ARG 217 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1hwg n ASN 218 N 8.70 -3.23 -3.55 0.55 0.23 -1.26 -4.96 115.26 111.74 1hwg n ASN 218 Ca 0.32 -1.28 -0.09 0.00 -0.53 0.00 0.00 54.58 53.00 1hwg n ASN 218 Cb 0.28 -1.54 -0.04 0.00 -2.08 0.00 0.00 39.78 36.41 1hwg n ASN 218 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1hwg s SER 219 N -3.69 -0.33 0.67 0.53 0.15 -1.18 -5.14 113.70 104.71 1hwg s SER 219 Ca 0.41 0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.26 1hwg s SER 219 Cb -0.23 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 1hwg s SER 219 CO 0.95 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 175.58 1hwg n GLY 220 N 0.27 0.92 3.25 9.45 0.00 -1.00 -4.07 105.19 114.00 1hwg n GLY 220 Ca -0.08 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 1hwg n GLY 220 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hwg s ASN 221 N -4.00 0.84 0.23 1.61 -0.87 -0.55 -4.94 114.94 107.27 1hwg s ASN 221 Ca 0.00 -1.52 -0.30 0.00 -1.57 0.00 0.00 52.86 49.46 1hwg s ASN 221 Cb 0.00 0.42 -0.10 0.00 -0.02 0.00 0.00 41.25 41.55 1hwg s ASN 221 CO 0.00 -0.91 1.51 -0.31 -2.57 0.00 0.00 177.10 174.82 1hwg s TYR 222 N -3.86 2.98 0.00 2.20 2.02 -1.26 -4.28 117.35 115.15 1hwg s TYR 222 Ca 0.39 0.86 0.00 0.00 -0.37 0.00 0.00 57.07 57.95 1hwg s TYR 222 Cb 0.05 -3.90 0.00 0.00 -0.40 0.00 0.00 41.96 37.71 1hwg s TYR 222 CO 0.17 -3.08 0.00 0.41 -1.57 0.00 0.00 175.55 171.48 1hwg n GLY 223 N 2.66 -0.68 3.93 0.71 0.00 -0.13 -4.86 105.19 106.81 1hwg n GLY 223 Ca 0.09 -1.44 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 1hwg n GLY 223 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hwg s GLU 224 N 0.00 3.48 0.78 1.61 2.02 -1.25 -4.76 118.70 120.58 1hwg s GLU 224 Ca 0.00 -0.42 -0.13 0.00 0.02 0.00 0.00 54.97 54.44 1hwg s GLU 224 Cb 0.00 -2.94 0.07 0.00 0.10 0.00 0.00 34.13 31.36 1hwg s GLU 224 CO 0.00 0.51 1.17 -0.06 0.02 0.00 0.00 175.26 176.90 1hwg s PHE 225 N -1.70 2.02 0.82 1.61 0.08 -1.26 -3.64 117.98 115.92 1hwg s PHE 225 Ca 0.37 1.65 -0.14 0.00 0.12 0.00 0.00 56.93 58.92 1hwg s PHE 225 Cb -0.12 -3.37 0.19 0.00 -0.57 0.00 0.00 43.02 39.16 1hwg s PHE 225 CO 0.28 -2.52 1.00 -1.13 -0.10 0.00 0.00 175.22 172.75 1hwg n SER 226 N -3.21 -0.42 -4.77 1.36 3.41 -0.40 -4.78 113.62 104.81 1hwg n SER 226 Ca 0.12 -1.29 -0.39 0.00 -0.26 0.00 0.00 58.87 57.06 1hwg n SER 226 Cb 0.51 -0.80 -0.02 0.00 -0.26 0.00 0.00 64.21 63.64 1hwg n SER 226 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1hwg s GLU 227 N -5.21 4.20 0.29 4.33 4.04 -1.26 -4.77 118.70 120.32 1hwg s GLU 227 Ca 0.59 1.87 -0.29 0.00 0.04 0.00 0.00 54.97 57.17 1hwg s GLU 227 Cb -0.03 -2.81 -0.10 0.00 0.02 0.00 0.00 34.13 31.21 1hwg s GLU 227 CO 0.42 -0.20 1.31 0.08 -1.84 0.00 0.00 175.26 175.03 1hwg s VAL 228 N -1.34 2.88 -0.19 1.83 1.01 -1.26 -4.74 120.40 118.59 1hwg s VAL 228 Ca 0.54 0.83 -0.06 0.00 0.00 0.00 0.00 61.98 63.29 1hwg s VAL 228 Cb -0.32 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1hwg s VAL 228 CO 0.40 0.17 0.03 -0.22 0.00 0.00 0.00 175.10 175.49 1hwg s LEU 229 N -1.21 3.52 -0.34 3.92 1.98 0.22 -4.89 118.68 121.88 1hwg s LEU 229 Ca 0.52 -0.07 -0.13 0.00 -2.89 0.00 0.00 54.13 51.56 1hwg s LEU 229 Cb -0.39 -1.89 -0.02 0.00 0.66 0.00 0.00 46.19 44.56 1hwg s LEU 229 CO 0.47 0.12 0.26 -0.31 -1.89 0.00 0.00 176.35 175.01 1hwg s TYR 230 N 0.67 3.23 -0.27 5.38 2.02 -1.26 0.74 117.35 127.86 1hwg s TYR 230 Ca 0.01 -0.16 -0.14 0.00 -0.37 0.00 0.00 57.07 56.41 1hwg s TYR 230 Cb -0.14 -2.51 -0.04 0.00 -0.40 0.00 0.00 41.96 38.87 1hwg s TYR 230 CO 0.02 -0.37 0.33 0.08 -1.57 0.00 0.00 175.55 174.04 1hwg s VAL 231 N 1.78 5.20 -0.19 0.71 1.01 0.90 -4.96 120.40 124.86 1hwg s VAL 231 Ca 0.07 0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.53 1hwg s VAL 231 Cb -0.17 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.57 1hwg s VAL 231 CO 0.11 0.17 -0.18 -0.89 0.00 0.00 0.00 175.10 174.31 1hwg s THR 232 N 2.00 2.02 -0.28 3.92 2.01 -1.26 0.12 115.64 124.16 1hwg s THR 232 Ca 0.13 -1.02 -0.19 0.00 0.31 0.00 0.00 61.69 60.92 1hwg s THR 232 Cb -0.16 -1.89 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 1hwg s THR 232 CO 0.10 0.44 0.56 -0.76 -0.69 0.00 0.00 174.62 174.26 1hwg s LEU 233 N 1.28 4.11 0.77 4.42 1.43 -1.25 -5.05 118.68 124.37 1hwg s LEU 233 Ca 0.03 0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 53.46 1hwg s LEU 233 Cb -0.14 -2.71 0.06 0.00 0.03 0.00 0.00 46.19 43.42 1hwg s LEU 233 CO -0.11 -0.36 1.15 -2.16 0.23 0.00 0.00 176.35 175.09 1hwg s PRO 234 N 2.42 2.04 -0.06 1.29 0.04 -1.26 -4.75 135.00 134.71 1hwg s PRO 234 Ca 0.22 1.54 -0.20 0.00 0.04 0.00 0.00 61.00 62.60 1hwg s PRO 234 Cb -0.15 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1hwg s PRO 234 CO 0.10 -1.87 0.57 -1.14 0.04 0.00 0.00 177.00 174.71 1hwg s GLN 235 N -4.29 4.35 0.11 4.56 2.00 -1.26 -4.96 119.66 120.17 1hwg s GLN 235 Ca 0.69 0.66 -0.04 0.00 -2.00 0.00 0.00 55.36 54.66 1hwg s GLN 235 Cb -0.24 -3.40 -0.05 0.00 0.80 0.00 0.00 33.01 30.12 1hwg s GLN 235 CO 0.49 0.22 0.33 -1.64 -0.50 0.00 0.00 175.29 174.19 1hwg s MET 236 N 0.35 3.59 0.00 1.67 -1.94 -1.26 -5.25 119.30 116.46 1hwg s MET 236 Ca 0.31 -0.14 0.32 0.00 -1.71 0.00 0.00 55.69 54.46 1hwg s MET 236 Cb -0.17 -2.92 1.89 0.00 2.01 0.00 0.00 34.83 35.64 1hwg s MET 236 CO 0.15 0.52 2.21 0.43 -0.01 0.00 0.00 175.02 178.32