#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hbe h VAL 49 N 0.00 1.00 0.00 0.44 2.07 -1.88 -1.93 116.25 115.96 3hbe h VAL 49 Ca 0.00 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3hbe h VAL 49 Cb 0.00 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 3hbe h VAL 49 CO 0.00 0.14 -0.03 1.23 0.02 0.00 0.00 177.57 178.93 3hbe h GLY 50 N 0.75 0.00 1.90 2.17 0.00 -1.97 0.35 103.07 106.27 3hbe h GLY 50 Ca 0.32 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.52 3hbe h GLY 50 CO -0.11 0.00 -0.59 -1.33 0.00 0.00 0.00 176.54 174.51 3hbe h GLY 51 N 0.55 0.11 0.49 4.60 0.00 -1.80 -3.33 103.07 103.69 3hbe h GLY 51 Ca -0.00 -0.13 -0.34 0.00 0.00 0.00 0.00 47.33 46.86 3hbe h GLY 51 CO 0.00 0.12 -1.85 1.39 0.00 0.00 0.00 176.54 176.21 3hbe n ILE 52 N -3.86 1.74 -3.64 2.60 5.41 -0.15 -4.74 119.36 116.72 3hbe n ILE 52 Ca -0.02 -0.53 -0.39 0.00 1.00 0.00 0.00 62.75 62.81 3hbe n ILE 52 Cb 0.60 -1.80 -0.10 0.00 -0.71 0.00 0.00 39.64 37.62 3hbe n ILE 52 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3hbe s ILE 53 N -2.52 3.93 0.76 1.39 -1.09 -0.07 -5.06 121.20 118.54 3hbe s ILE 53 Ca -0.24 -1.73 -0.10 0.00 -2.23 0.00 0.00 60.65 56.35 3hbe s ILE 53 Cb 0.06 -3.55 0.07 0.00 -1.58 0.00 0.00 42.46 37.46 3hbe s ILE 53 CO 0.73 -0.65 1.11 -0.94 -1.23 0.00 0.00 174.94 173.96 3hbe s SER 54 N 2.25 4.68 0.21 3.58 1.04 -1.25 -4.38 113.70 119.83 3hbe s SER 54 Ca 0.05 0.69 -0.09 0.00 0.48 0.00 0.00 55.95 57.08 3hbe s SER 54 Cb -0.24 -1.26 0.23 0.00 0.10 0.00 0.00 66.02 64.85 3hbe s SER 54 CO -0.01 -1.75 1.84 -0.61 0.98 0.00 0.00 173.24 173.69 3hbe h GLN 55 N -0.86 0.83 -0.73 4.02 5.75 -1.99 -0.93 115.11 121.21 3hbe h GLN 55 Ca -0.45 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.02 3hbe h GLN 55 Cb 1.32 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 29.64 3hbe h GLN 55 CO 0.64 0.55 0.47 0.77 -2.65 0.00 0.00 178.83 178.61 3hbe h SER 56 N 0.86 0.78 -0.30 -0.69 0.02 -1.99 0.15 113.55 112.38 3hbe h SER 56 Ca 0.30 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.22 3hbe h SER 56 Cb 0.07 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3hbe h SER 56 CO -0.13 0.55 0.08 0.15 -1.14 0.00 0.00 176.83 176.33 3hbe h PHE 57 N 0.93 0.51 -0.49 3.45 3.57 -1.77 -1.57 116.94 121.57 3hbe h PHE 57 Ca 0.28 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 3hbe h PHE 57 Cb -0.03 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 3hbe h PHE 57 CO -0.03 0.54 0.24 0.35 -2.23 0.00 0.00 178.31 177.18 3hbe h PHE 58 N 0.33 0.70 -0.40 0.41 3.57 -0.92 -2.18 116.94 118.44 3hbe h PHE 58 Ca 0.10 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 3hbe h PHE 58 Cb 0.29 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 3hbe h PHE 58 CO 0.01 0.55 0.23 -0.91 -2.23 0.00 0.00 178.31 175.97 3hbe h ASN 59 N 0.65 0.48 -0.35 0.41 2.35 -0.82 -0.14 115.58 118.15 3hbe h ASN 59 Ca 0.17 -0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3hbe h ASN 59 Cb 0.11 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 3hbe h ASN 59 CO -0.02 0.38 0.16 1.23 -1.65 0.00 0.00 177.43 177.53 3hbe h GLY 60 N 0.61 0.47 0.76 2.83 0.00 -0.68 0.15 103.07 107.21 3hbe h GLY 60 Ca 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 3hbe h GLY 60 CO -0.03 0.07 -0.02 1.41 0.00 0.00 0.00 176.54 177.98 3hbe h LEU 61 N 0.33 0.24 -1.01 3.11 3.38 -0.86 -3.18 115.31 117.33 3hbe h LEU 61 Ca 0.15 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 3hbe h LEU 61 Cb 0.08 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3hbe h LEU 61 CO -0.12 0.53 -0.16 0.00 0.09 0.00 0.00 178.44 178.78 3hbe h ALA 62 N 0.72 0.99 0.00 1.53 0.00 -0.97 -3.31 119.26 118.22 3hbe h ALA 62 Ca 0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3hbe h ALA 62 Cb 0.41 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3hbe h ALA 62 CO 0.01 0.20 -0.20 0.78 0.00 0.00 0.00 179.25 180.04 3hbe h GLY 63 N 2.38 0.00 2.00 0.00 0.00 -0.67 -3.11 103.07 103.67 3hbe h GLY 63 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3hbe h GLY 63 CO 0.02 0.00 -0.08 -1.33 0.00 0.00 0.00 176.54 175.15 3hbe h GLY 64 N 2.88 0.00 -4.02 4.60 0.00 -1.68 -3.45 103.07 101.40 3hbe h GLY 64 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3hbe h GLY 64 CO 0.03 0.00 0.77 0.00 0.00 0.00 0.00 176.54 177.33 3hbe s ALA 65 N -3.60 3.59 0.57 3.60 0.00 -1.18 -4.96 121.76 119.78 3hbe s ALA 65 Ca 0.02 1.49 -0.21 0.00 0.00 0.00 0.00 51.96 53.26 3hbe s ALA 65 Cb 0.09 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3hbe s ALA 65 CO 0.59 -0.93 1.35 0.00 0.00 0.00 0.00 175.76 176.77 3hbe s ALA 66 N -0.84 2.72 0.52 0.00 0.00 -1.26 -4.88 121.76 118.01 3hbe s ALA 66 Ca 0.54 1.33 0.17 0.00 0.00 0.00 0.00 51.96 54.00 3hbe s ALA 66 Cb -0.45 -3.57 1.27 0.00 0.00 0.00 0.00 23.12 20.37 3hbe s ALA 66 CO 0.57 -1.46 2.12 0.66 0.00 0.00 0.00 175.76 177.66 3hbe h SER 67 N 1.24 0.02 0.28 0.00 4.64 -1.95 -0.30 113.55 117.48 3hbe h SER 67 Ca -0.51 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3hbe h SER 67 Cb 1.31 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3hbe h SER 67 CO 0.56 0.01 0.00 -1.54 -0.87 0.00 0.00 176.83 175.00 3hbe n SER 68 N -4.52 0.00 -4.73 4.97 3.41 -1.26 -4.81 113.62 106.68 3hbe n SER 68 Ca -0.01 -0.41 -0.42 0.00 -0.26 0.00 0.00 58.87 57.77 3hbe n SER 68 Cb 0.16 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3hbe n SER 68 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hbe h GLU 70 N 5.62 0.00 0.00 0.00 4.11 -1.84 -2.49 114.58 119.99 3hbe h GLU 70 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 3hbe h GLU 70 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3hbe h GLU 70 CO 0.80 0.03 0.00 0.78 0.07 0.00 0.00 179.01 180.69 3hbe h GLY 71 N 0.13 0.00 -6.95 1.06 0.00 -0.97 -3.40 103.07 92.94 3hbe h GLY 71 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 3hbe h GLY 71 CO 0.00 0.00 1.24 1.25 0.00 0.00 0.00 176.54 179.03 3hbe s LYS 72 N -3.44 3.29 0.00 4.80 2.47 -0.94 -1.29 119.74 124.63 3hbe s LYS 72 Ca 0.04 1.19 0.00 0.00 -1.56 0.00 0.00 55.97 55.64 3hbe s LYS 72 Cb 0.09 -4.18 0.00 0.00 -1.46 0.00 0.00 37.83 32.27 3hbe s LYS 72 CO 0.54 -1.91 0.00 0.41 0.16 0.00 0.00 175.35 174.54 3hbe n GLY 73 N 5.38 0.85 0.12 5.54 0.00 -1.26 -4.88 105.19 110.94 3hbe n GLY 73 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 3hbe n GLY 73 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hbe n PHE 74 N -2.00 0.61 -2.59 1.61 7.35 -0.42 -4.77 117.46 117.25 3hbe n PHE 74 Ca 0.00 0.24 -0.42 0.00 -0.76 0.00 0.00 57.45 56.51 3hbe n PHE 74 Cb 0.00 -1.06 -0.03 0.00 0.35 0.00 0.00 39.48 38.74 3hbe n PHE 74 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 3hbe s TYR 75 N -2.44 2.50 0.18 -5.13 2.02 -0.41 -4.67 117.35 109.39 3hbe s TYR 75 Ca -0.32 0.21 0.11 0.00 -0.37 0.00 0.00 57.07 56.69 3hbe s TYR 75 Cb 0.09 -4.54 -0.04 0.00 -0.40 0.00 0.00 41.96 37.08 3hbe s TYR 75 CO 0.57 -1.76 -0.23 0.95 -1.57 0.00 0.00 175.55 173.51 3hbe s THR 76 N 5.18 2.21 0.30 -0.71 -4.23 -1.26 -4.95 115.64 112.19 3hbe s THR 76 Ca 0.39 -1.97 -0.01 0.00 -1.18 0.00 0.00 61.69 58.92 3hbe s THR 76 Cb -0.08 -2.04 0.23 0.00 1.34 0.00 0.00 72.50 71.95 3hbe s THR 76 CO 0.21 -0.14 1.93 0.22 -0.54 0.00 0.00 174.62 176.30 3hbe h TYR 77 N 3.29 0.94 -0.47 3.99 3.20 -1.95 -1.36 116.97 124.62 3hbe h TYR 77 Ca -0.46 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.42 3hbe h TYR 77 Cb 1.20 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 3hbe h TYR 77 CO 0.68 0.65 0.29 -0.91 -1.64 0.00 0.00 178.16 177.23 3hbe h ASN 78 N 0.97 0.48 -0.46 -2.11 2.35 -1.99 0.12 115.58 114.93 3hbe h ASN 78 Ca 0.25 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.94 3hbe h ASN 78 Cb 0.01 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 3hbe h ASN 78 CO -0.04 0.34 0.06 0.00 -1.65 0.00 0.00 177.43 176.14 3hbe h ALA 79 N 1.19 0.62 -0.17 -0.83 0.00 -1.79 -1.79 119.26 116.48 3hbe h ALA 79 Ca 0.18 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hbe h ALA 79 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3hbe h ALA 79 CO -0.07 0.36 0.10 0.35 0.00 0.00 0.00 179.25 179.99 3hbe h PHE 80 N 0.64 0.22 -0.57 0.00 3.57 -0.88 -1.18 116.94 118.74 3hbe h PHE 80 Ca 0.14 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 3hbe h PHE 80 Cb 0.41 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 3hbe h PHE 80 CO 0.03 0.18 0.06 0.82 -2.23 0.00 0.00 178.31 177.17 3hbe h ILE 81 N 0.20 1.26 -0.62 1.41 1.08 -0.92 0.75 117.51 120.68 3hbe h ILE 81 Ca 0.06 -1.03 0.08 0.00 -0.39 0.00 0.00 64.86 63.58 3hbe h ILE 81 Cb 0.02 0.80 -0.06 0.00 -3.07 0.00 0.00 36.82 34.51 3hbe h ILE 81 CO -0.01 0.37 0.28 0.00 -0.69 0.00 0.00 178.15 178.10 3hbe h ALA 82 N 0.99 0.82 -0.34 1.87 0.00 -1.27 -1.69 119.26 119.65 3hbe h ALA 82 Ca 0.17 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3hbe h ALA 82 Cb 0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3hbe h ALA 82 CO 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 179.25 179.14 3hbe h ALA 83 N 1.38 0.46 -0.72 0.00 0.00 -0.68 -3.00 119.26 116.70 3hbe h ALA 83 Ca 0.30 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hbe h ALA 83 Cb 0.31 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3hbe h ALA 83 CO -0.25 0.23 0.47 0.00 0.00 0.00 0.00 179.25 179.70 3hbe h ALA 84 N 0.85 0.91 0.00 0.00 0.00 -0.59 -2.00 119.26 118.43 3hbe h ALA 84 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hbe h ALA 84 Cb 0.47 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hbe h ALA 84 CO 0.02 0.34 0.00 -0.91 0.00 0.00 0.00 179.25 178.70 3hbe h ASN 85 N 0.97 0.00 1.31 0.00 -0.26 -1.28 -3.09 115.58 113.23 3hbe h ASN 85 Ca 0.26 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.00 3hbe h ASN 85 Cb -0.11 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.15 3hbe h ASN 85 CO -0.06 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 176.31 3hbe h ALA 86 N 2.06 1.00 -3.40 -0.83 0.00 -1.21 -3.40 119.26 113.48 3hbe h ALA 86 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 3hbe h ALA 86 Cb 0.53 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.91 3hbe h ALA 86 CO 0.00 0.00 -0.72 0.71 0.00 0.00 0.00 179.25 179.24 3hbe s TYR 87 N -3.25 2.84 0.13 0.00 1.51 -1.17 -5.10 117.35 112.31 3hbe s TYR 87 Ca 0.07 -2.57 -0.35 0.00 -1.01 0.00 0.00 57.07 53.21 3hbe s TYR 87 Cb 0.10 -2.41 -0.16 0.00 -0.11 0.00 0.00 41.96 39.38 3hbe s TYR 87 CO 0.55 -0.88 1.35 0.43 -1.11 0.00 0.00 175.55 175.89 3hbe n SER 88 N 4.19 1.96 0.00 2.29 7.64 -1.26 -1.96 113.62 126.48 3hbe n SER 88 Ca 0.03 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.03 3hbe n SER 88 Cb 0.40 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 3hbe n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hbe n GLY 89 N 2.56 3.35 3.62 0.23 0.00 -1.26 -5.03 105.19 108.66 3hbe n GLY 89 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 3hbe n GLY 89 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hbe s PHE 90 N -2.81 2.09 -1.43 1.61 5.36 -0.83 -2.42 117.98 119.55 3hbe s PHE 90 Ca 0.00 0.56 0.00 0.00 -0.96 0.00 0.00 56.93 56.53 3hbe s PHE 90 Cb 0.00 -4.01 0.00 0.00 -0.34 0.00 0.00 43.02 38.67 3hbe s PHE 90 CO 0.00 -2.88 0.00 0.41 -1.46 0.00 0.00 175.22 171.29 3hbe n GLY 91 N 4.76 1.35 0.13 13.12 0.00 -1.26 -4.79 105.19 118.50 3hbe n GLY 91 Ca 0.19 -0.13 0.02 0.00 0.00 0.00 0.00 46.02 46.11 3hbe n GLY 91 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hbe n THR 92 N -2.40 0.64 -3.95 2.61 -2.24 -1.02 -4.64 114.28 103.29 3hbe n THR 92 Ca -0.14 -0.72 -0.35 0.00 -2.27 0.00 0.00 64.05 60.58 3hbe n THR 92 Cb 0.55 0.51 -0.11 0.00 -2.10 0.00 0.00 70.33 69.18 3hbe n THR 92 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hbe s THR 93 N -0.84 4.65 0.00 4.28 2.01 -1.15 -4.87 115.64 119.72 3hbe s THR 93 Ca 0.06 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.99 3hbe s THR 93 Cb 0.06 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.45 3hbe s THR 93 CO 0.01 0.42 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 3hbe n GLY 94 N 3.95 -1.86 3.65 4.40 0.00 -1.26 -3.83 105.19 110.25 3hbe n GLY 94 Ca -0.16 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 3hbe n GLY 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hbe s SER 95 N -4.00 2.23 0.28 1.61 1.04 -1.26 -4.68 113.70 108.92 3hbe s SER 95 Ca 0.00 1.09 0.01 0.00 0.48 0.00 0.00 55.95 57.53 3hbe s SER 95 Cb 0.00 -1.71 0.54 0.00 0.10 0.00 0.00 66.02 64.96 3hbe s SER 95 CO 0.00 -3.37 1.83 0.78 0.98 0.00 0.00 173.24 173.46 3hbe h ASN 96 N -2.05 0.88 -0.22 7.02 2.35 -1.99 -0.43 115.58 121.13 3hbe h ASN 96 Ca -0.54 0.05 -0.13 0.00 -0.55 0.00 0.00 56.30 55.13 3hbe h ASN 96 Cb 1.33 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 3hbe h ASN 96 CO 0.55 0.46 -0.31 0.44 -1.65 0.00 0.00 177.43 176.91 3hbe h ASP 97 N 0.94 0.76 -0.42 5.81 3.32 -1.97 -0.36 116.42 124.49 3hbe h ASP 97 Ca 0.49 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 3hbe h ASP 97 Cb 0.51 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3hbe h ASP 97 CO -0.27 1.02 0.06 0.58 -1.72 0.00 0.00 179.24 178.90 3hbe h VAL 98 N 0.62 1.25 -0.47 -1.35 2.07 -1.63 -0.50 116.25 116.24 3hbe h VAL 98 Ca 0.07 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 3hbe h VAL 98 Cb 0.84 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3hbe h VAL 98 CO 0.07 0.31 0.17 0.11 0.02 0.00 0.00 177.57 178.25 3hbe h LYS 99 N 0.56 0.72 -0.67 1.57 1.57 -0.95 -0.73 116.57 118.63 3hbe h LYS 99 Ca 0.13 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3hbe h LYS 99 Cb 0.39 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 3hbe h LYS 99 CO 0.01 0.66 0.30 0.87 -0.57 0.00 0.00 179.45 180.72 3hbe h LYS 100 N 0.62 0.97 -0.38 3.15 1.57 -0.94 -1.34 116.57 120.22 3hbe h LYS 100 Ca 0.15 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3hbe h LYS 100 Cb 0.23 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3hbe h LYS 100 CO -0.01 0.78 -0.23 0.00 -0.57 0.00 0.00 179.45 179.42 3hbe h ARG 101 N 0.93 0.75 -0.17 3.15 3.08 -0.91 0.45 114.38 121.66 3hbe h ARG 101 Ca 0.23 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3hbe h ARG 101 Cb 0.15 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3hbe h ARG 101 CO -0.03 0.91 0.08 1.49 -1.07 0.00 0.00 179.97 181.36 3hbe h GLU 102 N 0.66 0.24 -0.64 0.04 4.81 -0.85 0.15 114.58 118.98 3hbe h GLU 102 Ca 0.09 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 3hbe h GLU 102 Cb 0.74 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 3hbe h GLU 102 CO 0.06 0.28 0.08 -0.07 -0.73 0.00 0.00 179.01 178.63 3hbe h LEU 103 N 0.15 1.04 -0.92 1.64 3.38 -1.12 0.62 115.31 120.09 3hbe h LEU 103 Ca 0.06 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.78 3hbe h LEU 103 Cb 0.12 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3hbe h LEU 103 CO -0.01 1.04 0.60 0.00 0.09 0.00 0.00 178.44 180.17 3hbe h ALA 104 N 1.07 1.17 -0.35 1.53 0.00 -0.75 -0.33 119.26 121.60 3hbe h ALA 104 Ca 0.19 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3hbe h ALA 104 Cb 0.47 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hbe h ALA 104 CO 0.02 0.58 -0.01 0.00 0.00 0.00 0.00 179.25 179.84 3hbe h ALA 105 N 1.33 0.47 0.13 0.00 0.00 -0.05 0.42 119.26 121.56 3hbe h ALA 105 Ca 0.34 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hbe h ALA 105 Cb -0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3hbe h ALA 105 CO -0.07 0.24 -0.19 0.35 0.00 0.00 0.00 179.25 179.58 3hbe h PHE 106 N 0.42 -0.49 -0.15 0.00 3.57 -0.68 -2.33 116.94 117.28 3hbe h PHE 106 Ca 0.10 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 3hbe h PHE 106 Cb 0.46 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 3hbe h PHE 106 CO 0.04 -0.28 -0.25 0.74 -2.23 0.00 0.00 178.31 176.33 3hbe h PHE 107 N -0.38 0.29 -0.28 0.41 -1.00 -0.96 -0.61 116.94 114.43 3hbe h PHE 107 Ca 0.02 -0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.72 3hbe h PHE 107 Cb 0.38 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 3hbe h PHE 107 CO -0.17 0.50 0.08 0.00 -1.61 0.00 0.00 178.31 177.11 3hbe h ALA 108 N 1.50 0.36 -0.72 2.45 0.00 -0.76 0.27 119.26 122.37 3hbe h ALA 108 Ca 0.04 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3hbe h ALA 108 Cb 0.57 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3hbe h ALA 108 CO 0.04 -0.00 0.20 -0.91 0.00 0.00 0.00 179.25 178.57 3hbe h ASN 109 N 0.28 1.07 -0.38 0.00 2.35 -1.18 -1.57 115.58 116.16 3hbe h ASN 109 Ca 0.09 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 3hbe h ASN 109 Cb 0.25 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3hbe h ASN 109 CO -0.00 1.01 0.21 0.58 -1.65 0.00 0.00 177.43 177.58 3hbe h VAL 110 N 1.08 1.14 -0.85 2.81 2.07 -0.84 -1.12 116.25 120.54 3hbe h VAL 110 Ca 0.23 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3hbe h VAL 110 Cb 0.34 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 3hbe h VAL 110 CO -0.00 0.15 0.50 0.24 0.02 0.00 0.00 177.57 178.47 3hbe h MET 111 N 0.48 1.16 0.04 1.57 2.86 -0.28 -1.64 114.93 119.12 3hbe h MET 111 Ca 0.13 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3hbe h MET 111 Cb 0.05 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.48 3hbe h MET 111 CO -0.02 0.83 -0.02 1.25 1.06 0.00 0.00 176.91 180.01 3hbe h HIS 112 N 1.17 -0.05 0.00 -0.22 6.17 -1.05 0.24 115.15 121.41 3hbe h HIS 112 Ca 0.30 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.38 3hbe h HIS 112 Cb -0.02 0.02 0.00 0.00 2.52 0.00 0.00 27.41 29.92 3hbe h HIS 112 CO 0.00 0.07 0.00 0.93 0.71 0.00 0.00 177.93 179.65 3hbe h GLU 113 N -0.16 0.00 -0.30 5.26 5.08 -0.84 -2.92 114.58 120.70 3hbe h GLU 113 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3hbe h GLU 113 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3hbe h GLU 113 CO 0.01 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.27 3hbe n THR 114 N -3.07 0.71 -3.58 1.13 -2.24 -0.65 -4.87 114.28 101.71 3hbe n THR 114 Ca 0.02 -0.85 -0.22 0.00 -2.27 0.00 0.00 64.05 60.72 3hbe n THR 114 Cb 0.37 0.73 0.08 0.00 -2.10 0.00 0.00 70.33 69.41 3hbe n THR 114 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hbe n GLY 115 N 0.73 -0.49 1.29 3.38 0.00 -0.63 -0.91 105.19 108.56 3hbe n GLY 115 Ca 0.12 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3hbe n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbe n GLY 116 N -1.74 0.96 2.71 -0.02 0.00 0.77 -3.73 105.19 104.14 3hbe n GLY 116 Ca -0.08 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 3hbe n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hbe n LEU 117 N -0.44 -2.36 -0.08 0.99 4.77 -1.21 -4.18 117.00 114.49 3hbe n LEU 117 Ca 0.00 -0.19 -0.22 0.00 -0.03 0.00 0.00 56.01 55.57 3hbe n LEU 117 Cb 0.43 -2.62 -0.12 0.00 -2.33 0.00 0.00 43.42 38.78 3hbe n LEU 117 CO 0.00 0.10 -1.02 0.00 -1.33 0.00 0.00 177.39 175.15 3hbe s TYR 119 N -2.49 3.31 -0.19 0.00 1.51 -0.09 -0.47 117.35 118.92 3hbe s TYR 119 Ca -0.30 0.24 -0.15 0.00 -1.01 0.00 0.00 57.07 55.84 3hbe s TYR 119 Cb 0.09 -1.92 -0.20 0.00 -0.11 0.00 0.00 41.96 39.81 3hbe s TYR 119 CO 0.63 0.44 0.17 -0.89 -1.11 0.00 0.00 175.55 174.79 3hbe n ILE 120 N 2.55 1.61 -4.35 2.71 5.41 -1.26 -4.74 119.36 121.28 3hbe n ILE 120 Ca -0.18 -0.28 -0.35 0.00 1.00 0.00 0.00 62.75 62.94 3hbe n ILE 120 Cb 0.54 -1.90 -0.10 0.00 -0.71 0.00 0.00 39.64 37.46 3hbe n ILE 120 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 3hbe s ASN 121 N -6.97 5.23 0.18 4.38 0.01 -1.26 -0.92 114.94 115.58 3hbe s ASN 121 Ca -0.28 0.12 -0.32 0.00 -0.71 0.00 0.00 52.86 51.67 3hbe s ASN 121 Cb 0.07 -1.52 -0.16 0.00 0.41 0.00 0.00 41.25 40.05 3hbe s ASN 121 CO 0.63 0.35 1.04 1.21 -1.51 0.00 0.00 177.10 178.82 3hbe n GLU 122 N 2.31 0.92 -2.63 -0.60 2.13 -0.06 -4.91 120.64 117.80 3hbe n GLU 122 Ca -0.18 0.33 -0.42 0.00 0.66 0.00 0.00 57.16 57.54 3hbe n GLU 122 Cb 0.53 -1.73 -0.03 0.00 0.27 0.00 0.00 31.44 30.48 3hbe n GLU 122 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3hbe s LYS 123 N -0.62 4.51 -1.29 5.31 -0.14 -1.26 -4.22 119.74 122.04 3hbe s LYS 123 Ca 0.71 1.51 -0.28 0.00 -1.36 0.00 0.00 55.97 56.55 3hbe s LYS 123 Cb -0.88 -3.44 0.04 0.00 -1.68 0.00 0.00 37.83 31.87 3hbe s LYS 123 CO 0.54 -0.14 0.54 0.09 -0.76 0.00 0.00 175.35 175.63 3hbe n ASN 124 N 4.04 -3.07 -4.72 2.83 3.02 -1.26 -4.81 115.26 111.30 3hbe n ASN 124 Ca 0.07 -1.31 -0.43 0.00 -0.03 0.00 0.00 54.58 52.89 3hbe n ASN 124 Cb 0.50 -1.61 -0.02 0.00 -0.61 0.00 0.00 39.78 38.03 3hbe n ASN 124 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3hbe n PRO 125 N -5.00 2.48 0.13 3.52 -0.04 -1.26 -4.87 135.00 129.96 3hbe n PRO 125 Ca -0.16 0.88 0.13 0.00 -0.04 0.00 0.00 63.50 64.31 3hbe n PRO 125 Cb 0.59 -2.63 0.31 0.00 -0.04 0.00 0.00 33.50 31.73 3hbe n PRO 125 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3hbe h PRO 126 N 4.84 0.00 -4.40 0.54 0.13 -1.99 -3.47 132.00 127.65 3hbe h PRO 126 Ca -0.46 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.42 3hbe h PRO 126 Cb 1.24 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.24 3hbe h PRO 126 CO 0.80 0.00 -0.45 0.96 -0.23 0.00 0.00 178.00 179.08 3hbe s ILE 127 N -3.14 0.00 -1.60 -3.56 -4.36 -1.26 -5.04 121.20 102.23 3hbe s ILE 127 Ca 0.09 -1.84 0.28 0.00 -0.26 0.00 0.00 60.65 58.93 3hbe s ILE 127 Cb 0.10 -2.46 0.38 0.00 1.25 0.00 0.00 42.46 41.73 3hbe s ILE 127 CO 0.63 0.00 1.78 0.59 0.24 0.00 0.00 174.94 178.18 3hbe n ASN 128 N -0.65 0.56 -3.48 4.36 3.02 -1.26 -4.74 115.26 113.06 3hbe n ASN 128 Ca 0.02 -0.56 -0.18 0.00 -0.03 0.00 0.00 54.58 53.83 3hbe n ASN 128 Cb 0.64 -0.04 0.08 0.00 -0.61 0.00 0.00 39.78 39.85 3hbe n ASN 128 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3hbe n TYR 129 N -0.95 -2.13 -3.90 3.10 4.02 -1.26 -0.09 117.16 115.94 3hbe n TYR 129 Ca 0.13 0.92 -0.35 0.00 -0.01 0.00 0.00 57.90 58.59 3hbe n TYR 129 Cb 0.30 -4.95 -0.14 0.00 -0.02 0.00 0.00 39.34 34.53 3hbe n TYR 129 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hbe s GLN 131 N 1.46 3.06 0.11 0.00 0.74 -1.26 -5.03 119.66 118.74 3hbe s GLN 131 Ca 0.05 -0.90 -0.35 0.00 0.05 0.00 0.00 55.36 54.21 3hbe s GLN 131 Cb -0.15 -3.51 -0.17 0.00 1.10 0.00 0.00 33.01 30.28 3hbe s GLN 131 CO -0.03 -0.51 1.23 0.45 -0.55 0.00 0.00 175.29 175.87 3hbe n SER 132 N 4.92 1.30 -3.72 6.67 2.88 -1.26 -4.79 113.62 119.62 3hbe n SER 132 Ca -0.13 1.13 -0.13 0.00 -1.33 0.00 0.00 58.87 58.40 3hbe n SER 132 Cb 0.48 -1.17 -0.09 0.00 -0.75 0.00 0.00 64.21 62.67 3hbe n SER 132 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3hbe s SER 133 N 0.21 -0.42 0.28 -3.46 0.15 -1.26 -5.02 113.70 104.18 3hbe s SER 133 Ca 0.80 0.73 0.23 0.00 0.70 0.00 0.00 55.95 58.41 3hbe s SER 133 Cb -0.94 0.77 0.19 0.00 -1.71 0.00 0.00 66.02 64.33 3hbe s SER 133 CO 0.50 -0.22 1.30 0.77 1.20 0.00 0.00 173.24 176.79 3hbe h SER 134 N 5.08 0.00 0.12 5.45 4.64 -2.00 -3.29 113.55 123.55 3hbe h SER 134 Ca -0.27 -0.02 -0.34 0.00 -0.47 0.00 0.00 61.79 60.68 3hbe h SER 134 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3hbe h SER 134 CO 0.27 0.01 -1.82 0.74 -0.87 0.00 0.00 176.83 175.16 3hbe h THR 135 N 0.00 0.75 -2.22 2.95 2.02 -1.99 -3.41 112.91 111.01 3hbe h THR 135 Ca 0.00 -2.36 -0.59 0.00 0.77 0.00 0.00 66.41 64.23 3hbe h THR 135 Cb 0.96 2.55 -0.41 0.00 -1.74 0.00 0.00 68.15 69.51 3hbe h THR 135 CO 0.00 0.82 -0.77 0.79 0.37 0.00 0.00 175.52 176.72 3hbe n TRP 136 N -3.65 2.13 -2.02 3.16 7.02 -1.26 -5.10 117.44 117.72 3hbe n TRP 136 Ca -0.30 -3.94 -0.41 0.00 -1.02 0.00 0.00 57.50 51.83 3hbe n TRP 136 Cb 1.00 -0.46 -0.02 0.00 -2.42 0.00 0.00 31.31 29.41 3hbe n TRP 136 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 3hbe s PRO 137 N -1.86 4.28 0.29 -0.99 0.04 -1.24 -4.56 135.00 130.95 3hbe s PRO 137 Ca 0.37 2.30 -0.29 0.00 0.04 0.00 0.00 61.00 63.42 3hbe s PRO 137 Cb 0.13 -3.08 -0.10 0.00 0.04 0.00 0.00 34.50 31.50 3hbe s PRO 137 CO -0.07 -0.35 1.21 0.00 0.04 0.00 0.00 177.00 177.83 3hbe s THR 139 N -0.96 4.96 0.22 0.00 2.01 -1.26 -5.02 115.64 115.59 3hbe s THR 139 Ca 0.48 1.39 -0.32 0.00 0.31 0.00 0.00 61.69 63.55 3hbe s THR 139 Cb -0.36 -4.03 -0.13 0.00 0.01 0.00 0.00 72.50 67.99 3hbe s THR 139 CO 0.45 0.08 1.48 -0.24 -0.69 0.00 0.00 174.62 175.70 3hbe n SER 140 N 5.09 2.96 0.00 3.53 2.88 -1.26 -1.89 113.62 124.93 3hbe n SER 140 Ca 0.01 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 3hbe n SER 140 Cb 0.49 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 3hbe n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hbe n GLY 141 N 2.55 1.28 3.93 0.46 0.00 -1.26 -5.04 105.19 107.11 3hbe n GLY 141 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 3hbe n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hbe s LYS 142 N -0.54 3.44 -0.06 1.61 -0.14 -0.79 -5.11 119.74 118.16 3hbe s LYS 142 Ca 0.00 -0.51 0.05 0.00 -1.36 0.00 0.00 55.97 54.15 3hbe s LYS 142 Cb 0.00 -2.99 -0.02 0.00 -1.68 0.00 0.00 37.83 33.14 3hbe s LYS 142 CO 0.00 0.56 -0.22 0.45 -0.76 0.00 0.00 175.35 175.38 3hbe s SER 143 N -2.89 3.37 -0.45 2.83 0.15 -1.26 -4.90 113.70 110.54 3hbe s SER 143 Ca 0.35 -0.42 0.04 0.00 0.70 0.00 0.00 55.95 56.62 3hbe s SER 143 Cb -0.12 -0.86 0.52 0.00 -1.71 0.00 0.00 66.02 63.85 3hbe s SER 143 CO 0.28 0.27 1.71 -1.22 1.20 0.00 0.00 173.24 175.48 3hbe n TYR 144 N 2.81 2.52 -0.78 3.44 4.01 0.88 -4.83 117.16 125.20 3hbe n TYR 144 Ca -0.17 -2.23 -0.30 0.00 -0.16 0.00 0.00 57.90 55.04 3hbe n TYR 144 Cb 0.52 -0.88 0.19 0.00 -0.31 0.00 0.00 39.34 38.86 3hbe n TYR 144 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 3hbe s HIS 145 N -3.51 1.71 0.20 -0.72 -3.43 -1.26 -1.09 115.29 107.19 3hbe s HIS 145 Ca 0.55 1.40 -0.32 0.00 -0.80 0.00 0.00 55.06 55.88 3hbe s HIS 145 Cb 0.46 -3.19 -0.13 0.00 -1.43 0.00 0.00 32.58 28.29 3hbe s HIS 145 CO 0.03 -3.12 1.68 0.41 -2.00 0.00 0.00 174.74 171.74 3hbe n GLY 146 N 0.05 1.41 2.96 -1.38 0.00 -1.24 -4.59 105.19 102.40 3hbe n GLY 146 Ca 0.07 0.62 -0.13 0.00 0.00 0.00 0.00 46.02 46.58 3hbe n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hbe s ARG 147 N 1.04 0.32 0.36 1.61 0.52 -0.75 -0.88 118.95 121.17 3hbe s ARG 147 Ca 0.76 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.66 3hbe s ARG 147 Cb -0.55 -0.22 0.00 0.00 0.52 0.00 0.00 34.95 34.70 3hbe s ARG 147 CO 0.34 0.05 0.00 0.41 0.02 0.00 0.00 175.30 176.13 3hbe n GLY 148 N 2.51 -2.42 0.31 -3.53 0.00 -0.10 -1.63 105.19 100.34 3hbe n GLY 148 Ca -0.16 -1.64 0.11 0.00 0.00 0.00 0.00 46.02 44.33 3hbe n GLY 148 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hbe h PRO 149 N 0.00 0.15 -0.12 1.61 0.11 -1.89 -1.20 132.00 130.66 3hbe h PRO 149 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3hbe h PRO 149 Cb 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.08 3hbe h PRO 149 CO 0.00 0.10 0.00 1.28 -0.21 0.00 0.00 178.00 179.17 3hbe n LEU 150 N -4.48 2.85 -3.61 2.35 4.77 -1.26 -4.37 117.00 113.25 3hbe n LEU 150 Ca 0.03 -2.81 -0.21 0.00 -0.03 0.00 0.00 56.01 52.99 3hbe n LEU 150 Cb 0.25 -0.39 0.05 0.00 -2.33 0.00 0.00 43.42 40.99 3hbe n LEU 150 CO 0.35 0.67 -0.03 0.00 -1.33 0.00 0.00 177.39 177.05 3hbe n GLN 151 N -0.82 -4.54 -1.61 3.23 1.13 -0.45 -4.85 117.38 109.46 3hbe n GLN 151 Ca 0.15 0.66 -0.53 0.00 -1.94 0.00 0.00 57.00 55.34 3hbe n GLN 151 Cb 0.65 -5.24 -0.06 0.00 0.11 0.00 0.00 30.24 25.69 3hbe n GLN 151 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3hbe n LEU 152 N -4.14 1.78 -4.00 1.08 7.94 -0.64 -4.29 117.00 114.73 3hbe n LEU 152 Ca -0.26 1.11 -0.09 0.00 -1.11 0.00 0.00 56.01 55.66 3hbe n LEU 152 Cb 0.66 -1.18 -0.11 0.00 0.53 0.00 0.00 43.42 43.32 3hbe n LEU 152 CO 0.66 -0.93 -0.36 -0.44 -1.11 0.00 0.00 177.39 175.20 3hbe s SER 153 N 1.05 0.33 0.00 1.96 0.01 -1.26 -1.80 113.70 113.99 3hbe s SER 153 Ca 0.87 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.56 3hbe s SER 153 Cb -0.98 0.11 0.00 0.00 0.21 0.00 0.00 66.02 65.36 3hbe s SER 153 CO 0.50 -0.33 0.00 0.79 0.41 0.00 0.00 173.24 174.61 3hbe n TRP 154 N 1.38 0.00 -0.32 2.43 7.02 -0.25 -4.35 117.44 123.34 3hbe n TRP 154 Ca -0.22 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.38 3hbe n TRP 154 Cb 0.56 -0.77 0.31 0.00 -2.42 0.00 0.00 31.31 28.99 3hbe n TRP 154 CO 0.00 0.00 0.00 -2.95 -2.02 0.00 0.00 177.69 172.72 3hbe h ASN 155 N 0.00 0.57 -0.03 -0.99 -1.07 -1.77 -1.17 115.58 111.11 3hbe h ASN 155 Ca 0.00 0.12 -0.10 0.00 0.07 0.00 0.00 56.30 56.40 3hbe h ASN 155 Cb 0.00 0.04 -0.01 0.00 -2.07 0.00 0.00 38.32 36.27 3hbe h ASN 155 CO 0.00 0.14 -0.26 0.10 0.07 0.00 0.00 177.43 177.48 3hbe h TYR 156 N 0.58 0.51 -0.01 4.14 -0.00 -1.88 0.73 116.97 121.05 3hbe h TYR 156 Ca 0.56 -0.11 -0.26 0.00 0.00 0.00 0.00 58.73 58.92 3hbe h TYR 156 Cb 0.96 -0.13 0.02 0.00 0.00 0.00 0.00 36.73 37.58 3hbe h TYR 156 CO -0.06 0.68 -1.01 -0.91 -0.00 0.00 0.00 178.16 176.86 3hbe h ASN 157 N 0.40 0.90 -0.61 0.10 2.35 -1.53 -2.90 115.58 114.29 3hbe h ASN 157 Ca 0.06 -0.73 -0.02 0.00 -0.55 0.00 0.00 56.30 55.06 3hbe h ASN 157 Cb 0.67 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 3hbe h ASN 157 CO 0.05 1.52 0.30 1.88 -1.65 0.00 0.00 177.43 179.53 3hbe h TYR 158 N 0.38 0.87 0.09 1.19 -1.99 -1.03 -0.39 116.97 116.10 3hbe h TYR 158 Ca -0.12 -0.04 0.01 0.00 2.00 0.00 0.00 58.73 60.58 3hbe h TYR 158 Cb 1.66 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 40.10 3hbe h TYR 158 CO 0.10 0.66 -0.12 0.78 -0.00 0.00 0.00 178.16 179.58 3hbe h GLY 159 N 0.84 -0.22 1.11 3.88 0.00 -0.92 -0.79 103.07 106.97 3hbe h GLY 159 Ca 0.21 0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.59 3hbe h GLY 159 CO -0.03 -0.12 0.02 0.00 0.00 0.00 0.00 176.54 176.40 3hbe h ALA 160 N 0.64 0.87 -0.44 3.60 0.00 -1.40 -1.82 119.26 120.71 3hbe h ALA 160 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hbe h ALA 160 Cb 0.26 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3hbe h ALA 160 CO -0.06 0.67 0.27 0.00 0.00 0.00 0.00 179.25 180.13 3hbe h ALA 161 N 1.03 0.55 -0.81 0.00 0.00 -0.94 -2.19 119.26 116.90 3hbe h ALA 161 Ca 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3hbe h ALA 161 Cb 0.54 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3hbe h ALA 161 CO 0.03 0.03 0.39 0.78 0.00 0.00 0.00 179.25 180.48 3hbe h GLY 162 N 0.58 1.25 1.01 0.00 0.00 -0.87 -0.18 103.07 104.86 3hbe h GLY 162 Ca 0.16 -0.61 0.01 0.00 0.00 0.00 0.00 47.33 46.88 3hbe h GLY 162 CO -0.03 0.58 0.61 1.70 0.00 0.00 0.00 176.54 179.40 3hbe h LYS 163 N 1.16 1.22 -0.18 4.80 3.64 -1.00 0.13 116.57 126.35 3hbe h LYS 163 Ca 0.28 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 3hbe h LYS 163 Cb 0.11 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3hbe h LYS 163 CO -0.04 0.81 -0.35 1.03 -2.27 0.00 0.00 179.45 178.64 3hbe h SER 164 N 1.25 0.61 0.64 4.20 0.87 -0.83 -3.36 113.55 116.94 3hbe h SER 164 Ca 0.34 -0.55 -0.25 0.00 -1.23 0.00 0.00 61.79 60.10 3hbe h SER 164 Cb -0.14 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.61 3hbe h SER 164 CO -0.07 1.05 -1.51 0.40 -0.53 0.00 0.00 176.83 176.17 3hbe h ILE 165 N 0.20 0.90 0.00 2.23 2.04 -0.94 -3.49 117.51 118.45 3hbe h ILE 165 Ca 0.01 -2.64 0.00 0.00 1.00 0.00 0.00 64.86 63.22 3hbe h ILE 165 Cb 0.94 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 3hbe h ILE 165 CO 0.08 0.51 0.00 0.61 0.00 0.00 0.00 178.15 179.35 3hbe n GLY 166 N 1.48 1.05 3.18 5.37 0.00 0.40 -5.07 105.19 111.60 3hbe n GLY 166 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 3hbe n GLY 166 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hbe s PHE 167 N -2.00 0.98 -0.76 1.61 -0.12 -0.81 -5.06 117.98 111.81 3hbe s PHE 167 Ca 0.00 -1.28 -0.21 0.00 -0.05 0.00 0.00 56.93 55.38 3hbe s PHE 167 Cb 0.00 -0.50 0.09 0.00 -0.63 0.00 0.00 43.02 41.98 3hbe s PHE 167 CO 0.00 -0.58 1.05 0.34 -0.05 0.00 0.00 175.22 175.98 3hbe s ASP 168 N -3.09 6.33 0.36 1.98 -1.08 -1.26 -4.08 116.67 115.83 3hbe s ASP 168 Ca 0.30 -1.33 0.11 0.00 -0.52 0.00 0.00 52.55 51.12 3hbe s ASP 168 Cb 0.07 -2.42 0.70 0.00 -1.46 0.00 0.00 42.92 39.80 3hbe s ASP 168 CO 0.06 -1.34 1.83 1.23 0.52 0.00 0.00 175.17 177.47 3hbe h GLY 169 N 11.18 0.08 0.88 2.66 0.00 -1.83 0.16 103.07 116.21 3hbe h GLY 169 Ca -0.12 -0.07 -0.21 0.00 0.00 0.00 0.00 47.33 46.93 3hbe h GLY 169 CO 1.18 0.06 -0.88 1.41 0.00 0.00 0.00 176.54 178.31 3hbe h LEU 170 N 0.07 0.61 0.00 3.11 3.38 -1.89 -3.17 115.31 117.41 3hbe h LEU 170 Ca 0.01 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.12 3hbe h LEU 170 Cb 0.63 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3hbe h LEU 170 CO 0.05 1.41 -1.24 0.59 0.09 0.00 0.00 178.44 179.33 3hbe n ASN 171 N -4.06 0.58 -2.77 -0.43 3.02 -1.20 -4.39 115.26 106.02 3hbe n ASN 171 Ca -0.13 0.10 -0.16 0.00 -0.03 0.00 0.00 54.58 54.36 3hbe n ASN 171 Cb 0.83 0.91 0.01 0.00 -0.61 0.00 0.00 39.78 40.91 3hbe n ASN 171 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hbe n ASN 172 N -2.37 2.19 0.27 6.41 3.02 0.57 -4.89 115.26 120.46 3hbe n ASN 172 Ca -0.00 -3.05 0.13 0.00 -0.03 0.00 0.00 54.58 51.62 3hbe n ASN 172 Cb 0.52 -0.54 0.79 0.00 -0.61 0.00 0.00 39.78 39.94 3hbe n ASN 172 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3hbe h PRO 173 N 2.92 0.00 -0.03 3.52 0.13 -1.67 -1.67 132.00 135.19 3hbe h PRO 173 Ca 0.04 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.18 3hbe h PRO 173 Cb 1.03 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 3hbe h PRO 173 CO 0.59 0.07 0.08 1.05 -0.23 0.00 0.00 178.00 179.56 3hbe h GLU 174 N 0.00 0.00 -0.21 0.86 9.09 -1.90 -2.00 114.58 120.42 3hbe h GLU 174 Ca -0.00 0.00 0.06 0.00 0.05 0.00 0.00 59.36 59.47 3hbe h GLU 174 Cb 0.16 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.26 3hbe h GLU 174 CO 0.01 0.00 0.17 0.87 0.05 0.00 0.00 179.01 180.11 3hbe h LYS 175 N 0.00 0.00 0.00 1.06 1.57 -1.68 0.35 116.57 117.87 3hbe h LYS 175 Ca 0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3hbe h LYS 175 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 3hbe h LYS 175 CO -0.00 0.00 -0.10 0.28 -0.57 0.00 0.00 179.45 179.06 3hbe h VAL 176 N 0.00 0.32 -0.17 0.50 2.07 -1.58 -0.83 116.25 116.56 3hbe h VAL 176 Ca 0.10 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3hbe h VAL 176 Cb 0.44 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3hbe h VAL 176 CO -0.00 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.30 3hbe n GLY 177 N -0.24 1.15 0.00 2.17 0.00 0.07 -4.26 105.19 104.09 3hbe n GLY 177 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3hbe n GLY 177 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hbe n GLN 178 N 1.27 3.80 -3.86 1.61 6.02 -0.83 -4.97 117.38 120.43 3hbe n GLN 178 Ca 0.15 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.78 3hbe n GLN 178 Cb 0.55 -0.98 -0.13 0.00 1.02 0.00 0.00 30.24 30.70 3hbe n GLN 178 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3hbe s ASP 179 N -2.92 4.84 0.24 1.08 -1.08 -0.38 -5.01 116.67 113.45 3hbe s ASP 179 Ca 0.00 -0.98 -0.06 0.00 -0.52 0.00 0.00 52.55 50.99 3hbe s ASP 179 Cb 0.00 -1.77 0.28 0.00 -1.46 0.00 0.00 42.92 39.98 3hbe s ASP 179 CO 0.00 -0.21 1.90 0.77 0.52 0.00 0.00 175.17 178.15 3hbe h SER 180 N 8.10 1.03 -0.17 -0.34 4.64 -1.86 0.62 113.55 125.57 3hbe h SER 180 Ca -0.28 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 60.93 3hbe h SER 180 Cb 1.10 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3hbe h SER 180 CO 0.58 0.72 -0.27 0.74 -0.87 0.00 0.00 176.83 177.73 3hbe h THR 181 N 1.21 1.35 -0.73 2.95 2.02 -1.91 -1.66 112.91 116.14 3hbe h THR 181 Ca 0.37 -1.49 0.07 0.00 0.77 0.00 0.00 66.41 66.13 3hbe h THR 181 Cb -0.03 1.90 -0.06 0.00 -1.74 0.00 0.00 68.15 68.22 3hbe h THR 181 CO -0.11 0.45 0.42 0.40 0.37 0.00 0.00 175.52 177.05 3hbe h ILE 182 N 0.13 0.96 0.20 3.11 2.04 -1.83 0.51 117.51 122.63 3hbe h ILE 182 Ca 0.02 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.62 3hbe h ILE 182 Cb 0.84 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3hbe h ILE 182 CO 0.06 0.14 -0.24 -1.28 0.00 0.00 0.00 178.15 176.83 3hbe h SER 183 N 0.75 -0.66 -0.19 1.72 0.87 -0.64 0.05 113.55 115.45 3hbe h SER 183 Ca 0.33 0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.90 3hbe h SER 183 Cb 0.22 0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 3hbe h SER 183 CO -0.20 -0.35 -0.07 -0.26 -0.53 0.00 0.00 176.83 175.43 3hbe h PHE 184 N -0.49 0.56 -0.45 2.24 0.04 -1.10 -2.34 116.94 115.40 3hbe h PHE 184 Ca 0.01 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 3hbe h PHE 184 Cb 0.47 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 3hbe h PHE 184 CO -0.19 0.59 0.21 0.87 -0.60 0.00 0.00 178.31 179.19 3hbe h LYS 185 N 0.50 0.63 -0.17 1.51 1.57 -0.21 -1.48 116.57 118.92 3hbe h LYS 185 Ca 0.10 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3hbe h LYS 185 Cb 0.42 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3hbe h LYS 185 CO 0.02 0.50 -0.04 1.79 -0.57 0.00 0.00 179.45 181.16 3hbe h THR 186 N 0.64 1.14 -0.03 -0.16 1.35 -0.44 0.26 112.91 115.66 3hbe h THR 186 Ca 0.16 -0.55 -0.15 0.00 -0.55 0.00 0.00 66.41 65.32 3hbe h THR 186 Cb 0.09 1.05 0.01 0.00 -1.73 0.00 0.00 68.15 67.57 3hbe h THR 186 CO -0.02 0.18 -0.56 0.00 -0.25 0.00 0.00 175.52 174.87 3hbe h ALA 187 N 1.72 0.11 -0.50 6.62 0.00 -1.23 -1.42 119.26 124.55 3hbe h ALA 187 Ca 0.06 -0.55 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 3hbe h ALA 187 Cb 0.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3hbe h ALA 187 CO 0.01 0.34 -0.11 0.28 0.00 0.00 0.00 179.25 179.77 3hbe h VAL 188 N -0.06 1.27 -0.36 0.00 2.07 -1.18 -1.35 116.25 116.63 3hbe h VAL 188 Ca -0.06 -1.25 0.05 0.00 0.82 0.00 0.00 66.70 66.26 3hbe h VAL 188 Cb 1.25 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 3hbe h VAL 188 CO 0.11 0.44 0.08 -0.25 0.02 0.00 0.00 177.57 177.97 3hbe h TRP 189 N 0.83 0.14 -0.51 1.57 7.01 -1.00 0.20 115.95 124.18 3hbe h TRP 189 Ca 0.13 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.15 3hbe h TRP 189 Cb 0.67 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.69 3hbe h TRP 189 CO 0.05 0.03 0.31 0.35 -2.79 0.00 0.00 178.44 176.39 3hbe h PHE 190 N 0.21 0.67 -0.89 2.65 3.04 -0.99 0.28 116.94 121.91 3hbe h PHE 190 Ca 0.17 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.13 3hbe h PHE 190 Cb 0.19 -0.22 -0.04 0.00 2.56 0.00 0.00 35.95 38.43 3hbe h PHE 190 CO -0.18 0.46 0.59 2.35 -2.02 0.00 0.00 178.31 179.51 3hbe h TRP 191 N 0.68 1.12 0.03 0.41 2.91 -0.81 -2.36 115.95 117.94 3hbe h TRP 191 Ca 0.18 0.02 -0.36 0.00 1.13 0.00 0.00 58.89 59.87 3hbe h TRP 191 Cb -0.01 -0.38 -0.05 0.00 -0.51 0.00 0.00 29.16 28.20 3hbe h TRP 191 CO -0.03 0.71 -2.16 -1.33 -1.03 0.00 0.00 178.44 174.60 3hbe n MET 192 N -4.46 0.68 -0.00 2.65 2.81 0.02 -2.11 117.12 116.72 3hbe n MET 192 Ca 0.10 0.17 0.01 0.00 -1.81 0.00 0.00 57.70 56.16 3hbe n MET 192 Cb 0.02 -1.63 -0.01 0.00 -0.71 0.00 0.00 33.22 30.89 3hbe n MET 192 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3hbe n LYS 193 N -3.14 0.81 -0.08 0.03 4.76 0.94 -4.76 118.16 116.72 3hbe n LYS 193 Ca -0.33 -0.01 0.05 0.00 -2.87 0.00 0.00 58.31 55.15 3hbe n LYS 193 Cb 1.06 -0.97 0.06 0.00 -1.84 0.00 0.00 35.03 33.35 3hbe n LYS 193 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3hbe n ASN 194 N -1.48 1.81 -3.64 4.39 4.05 -0.97 -5.00 115.26 114.42 3hbe n ASN 194 Ca -0.00 -2.43 -0.06 0.00 0.45 0.00 0.00 54.58 52.53 3hbe n ASN 194 Cb 0.03 -0.22 -0.01 0.00 1.23 0.00 0.00 39.78 40.81 3hbe n ASN 194 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 3hbe s SER 195 N -1.79 -0.18 -0.05 1.20 1.04 -0.93 -4.95 113.70 108.04 3hbe s SER 195 Ca 0.15 -0.68 0.08 0.00 0.48 0.00 0.00 55.95 55.98 3hbe s SER 195 Cb 0.13 0.70 0.31 0.00 0.10 0.00 0.00 66.02 67.26 3hbe s SER 195 CO 0.01 -1.32 1.13 0.59 0.98 0.00 0.00 173.24 174.64 3hbe n ASN 196 N -0.68 2.32 0.09 7.02 3.02 -1.26 -4.55 115.26 121.22 3hbe n ASN 196 Ca -0.05 -2.19 -0.13 0.00 -0.03 0.00 0.00 54.58 52.18 3hbe n ASN 196 Cb 0.59 -0.39 -0.08 0.00 -0.61 0.00 0.00 39.78 39.30 3hbe n ASN 196 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hbe h HIS 198 N -0.27 0.45 -0.56 0.00 -0.00 -1.66 -2.20 115.15 110.91 3hbe h HIS 198 Ca -0.02 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.36 3hbe h HIS 198 Cb 0.22 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.45 3hbe h HIS 198 CO -0.03 0.37 0.35 1.03 -0.00 0.00 0.00 177.93 179.65 3hbe h SER 199 N 0.41 0.59 0.06 3.26 0.87 -1.82 -2.01 113.55 114.91 3hbe h SER 199 Ca 0.12 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3hbe h SER 199 Cb 0.07 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 3hbe h SER 199 CO -0.02 0.42 -0.06 0.00 -0.53 0.00 0.00 176.83 176.64 3hbe h ALA 200 N 1.23 -0.12 0.00 6.23 0.00 -0.76 -2.09 119.26 123.75 3hbe h ALA 200 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3hbe h ALA 200 Cb -0.03 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hbe h ALA 200 CO -0.07 -0.58 0.00 1.51 0.00 0.00 0.00 179.25 180.11 3hbe n ILE 201 N -5.18 0.70 -0.65 0.00 0.13 -0.84 -1.90 119.36 111.62 3hbe n ILE 201 Ca -0.07 -0.01 0.08 0.00 -1.10 0.00 0.00 62.75 61.65 3hbe n ILE 201 Cb 0.10 -0.88 0.25 0.00 -0.84 0.00 0.00 39.64 38.27 3hbe n ILE 201 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 3hbe n THR 202 N -2.21 1.80 -1.61 9.51 -2.24 -0.77 -4.52 114.28 114.24 3hbe n THR 202 Ca 0.04 -1.45 0.03 0.00 -2.27 0.00 0.00 64.05 60.39 3hbe n THR 202 Cb 0.32 0.06 0.04 0.00 -2.10 0.00 0.00 70.33 68.65 3hbe n THR 202 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3hbe n SER 203 N 0.16 0.67 0.00 3.42 7.64 -0.80 -5.01 113.62 119.69 3hbe n SER 203 Ca 0.19 -2.19 0.00 0.00 1.01 0.00 0.00 58.87 57.88 3hbe n SER 203 Cb 0.75 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 3hbe n SER 203 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hbe n GLY 204 N -0.38 0.70 0.02 0.23 0.00 -1.21 -4.93 105.19 99.62 3hbe n GLY 204 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 3hbe n GLY 204 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hbe n GLN 205 N -2.53 0.32 -0.54 1.61 6.02 -0.80 -4.89 117.38 116.57 3hbe n GLN 205 Ca 0.00 -0.05 0.07 0.00 -0.01 0.00 0.00 57.00 57.02 3hbe n GLN 205 Cb 0.00 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.74 3hbe n GLN 205 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hbe n GLY 206 N 1.37 -1.53 0.37 1.08 0.00 -1.25 -1.61 105.19 103.61 3hbe n GLY 206 Ca 0.11 -1.14 0.06 0.00 0.00 0.00 0.00 46.02 45.05 3hbe n GLY 206 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hbe h PHE 207 N -0.50 1.12 -0.69 1.61 3.57 -1.73 -1.34 116.94 118.98 3hbe h PHE 207 Ca 0.01 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.61 3hbe h PHE 207 Cb 0.49 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 3hbe h PHE 207 CO 0.00 0.51 0.45 0.78 -2.23 0.00 0.00 178.31 177.82 3hbe h GLY 208 N 1.03 0.89 1.83 2.40 0.00 -0.24 0.11 103.07 109.09 3hbe h GLY 208 Ca 0.45 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 3hbe h GLY 208 CO -0.21 0.21 -0.12 -1.33 0.00 0.00 0.00 176.54 175.09 3hbe h GLY 209 N 0.70 0.23 1.44 4.60 0.00 -0.25 -1.01 103.07 108.77 3hbe h GLY 209 Ca 0.30 -0.13 -0.18 0.00 0.00 0.00 0.00 47.33 47.31 3hbe h GLY 209 CO -0.10 0.12 -0.64 -0.91 0.00 0.00 0.00 176.54 175.02 3hbe h THR 210 N 0.20 1.33 -0.21 4.70 1.35 -0.91 -1.42 112.91 117.95 3hbe h THR 210 Ca 0.04 -1.92 -0.00 0.00 -0.55 0.00 0.00 66.41 63.98 3hbe h THR 210 Cb 0.34 1.89 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 3hbe h THR 210 CO 0.02 0.59 0.11 0.40 -0.25 0.00 0.00 175.52 176.40 3hbe h ILE 211 N 0.42 1.11 -0.81 6.82 2.04 -0.93 -1.66 117.51 124.49 3hbe h ILE 211 Ca -0.01 -0.31 0.06 0.00 1.00 0.00 0.00 64.86 65.60 3hbe h ILE 211 Cb 1.21 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 38.17 3hbe h ILE 211 CO 0.12 0.11 0.53 0.50 0.00 0.00 0.00 178.15 179.41 3hbe h LYS 212 N 0.23 0.90 0.00 2.37 3.64 -1.13 0.40 116.57 122.98 3hbe h LYS 212 Ca 0.07 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 3hbe h LYS 212 Cb 0.07 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 3hbe h LYS 212 CO -0.01 0.59 -0.47 0.00 -2.27 0.00 0.00 179.45 177.29 3hbe h ALA 213 N 1.55 1.21 0.05 5.00 0.00 -0.84 -3.06 119.26 123.16 3hbe h ALA 213 Ca 0.34 -0.43 -0.30 0.00 0.00 0.00 0.00 54.91 54.52 3hbe h ALA 213 Cb 0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3hbe h ALA 213 CO -0.12 0.58 -1.67 -0.89 0.00 0.00 0.00 179.25 177.16 3hbe n ILE 214 N -3.95 1.63 -2.93 0.00 5.41 -0.66 -4.57 119.36 114.28 3hbe n ILE 214 Ca -0.02 -0.31 -0.09 0.00 1.00 0.00 0.00 62.75 63.33 3hbe n ILE 214 Cb 0.49 -1.89 -0.02 0.00 -0.71 0.00 0.00 39.64 37.51 3hbe n ILE 214 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3hbe s ASN 215 N -6.96 -0.77 0.58 4.38 2.47 0.06 -5.02 114.94 109.68 3hbe s ASN 215 Ca -0.27 -1.98 0.31 0.00 0.42 0.00 0.00 52.86 51.34 3hbe s ASN 215 Cb 0.07 1.37 1.80 0.00 -1.45 0.00 0.00 41.25 43.04 3hbe s ASN 215 CO 0.66 -0.09 2.23 0.77 -3.72 0.00 0.00 177.10 176.95 3hbe h SER 216 N 5.28 0.00 -0.01 -4.21 4.64 -1.65 -2.32 113.55 115.28 3hbe h SER 216 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3hbe h SER 216 Cb 1.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3hbe h SER 216 CO 0.10 0.02 0.02 -0.03 -0.87 0.00 0.00 176.83 176.07 3hbe h MET 217 N 0.00 0.00 0.00 4.77 1.85 -1.92 -1.91 114.93 117.72 3hbe h MET 217 Ca -0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 59.70 58.99 3hbe h MET 217 Cb 0.07 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.08 3hbe h MET 217 CO 0.00 0.00 -0.49 0.93 -0.40 0.00 0.00 176.91 176.95 3hbe h GLU 218 N 0.00 0.00 -7.60 0.39 5.08 -1.75 -3.33 114.58 107.37 3hbe h GLU 218 Ca 0.01 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.91 3hbe h GLU 218 Cb 0.05 0.00 0.13 0.00 0.50 0.00 0.00 28.75 29.43 3hbe h GLU 218 CO -0.00 0.49 0.35 0.00 -1.00 0.00 0.00 179.01 178.85 3hbe n ASN 220 N -3.70 -4.37 0.00 0.00 3.02 0.45 -1.21 115.26 109.45 3hbe n ASN 220 Ca 0.09 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 3hbe n ASN 220 Cb 0.60 -3.63 0.00 0.00 -0.61 0.00 0.00 39.78 36.14 3hbe n ASN 220 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hbe n GLY 221 N -1.09 0.76 0.47 7.41 0.00 -1.26 -4.97 105.19 106.51 3hbe n GLY 221 Ca -0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 3hbe n GLY 221 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hbe h GLY 222 N 0.00 -1.13 -6.44 -0.02 0.00 -1.00 -3.39 103.07 91.10 3hbe h GLY 222 Ca 0.00 0.56 -0.43 0.00 0.00 0.00 0.00 47.33 47.45 3hbe h GLY 222 CO 0.00 -0.34 -0.73 0.21 0.00 0.00 0.00 176.54 175.67 3hbe s ASN 223 N -4.47 1.76 0.36 0.19 3.84 -0.64 -4.91 114.94 111.06 3hbe s ASN 223 Ca -0.17 -1.71 0.10 0.00 0.21 0.00 0.00 52.86 51.29 3hbe s ASN 223 Cb 0.05 0.26 0.67 0.00 -0.55 0.00 0.00 41.25 41.68 3hbe s ASN 223 CO 0.61 -0.28 1.82 0.77 -2.79 0.00 0.00 177.10 177.23 3hbe h SER 224 N 7.13 0.13 -0.76 -4.21 4.64 -1.77 -2.14 113.55 116.58 3hbe h SER 224 Ca 0.04 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3hbe h SER 224 Cb 1.03 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 63.05 3hbe h SER 224 CO 0.23 0.45 0.45 1.23 -0.87 0.00 0.00 176.83 178.32 3hbe h GLY 225 N 1.03 1.10 0.90 -0.77 0.00 -1.95 0.59 103.07 103.97 3hbe h GLY 225 Ca 0.02 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 3hbe h GLY 225 CO 0.05 0.45 -0.04 0.83 0.00 0.00 0.00 176.54 177.83 3hbe h GLU 226 N 1.04 0.58 -0.39 4.80 5.08 -1.83 -0.96 114.58 122.90 3hbe h GLU 226 Ca 0.27 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3hbe h GLU 226 Cb -0.02 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 3hbe h GLU 226 CO -0.05 0.74 0.17 0.28 -1.00 0.00 0.00 179.01 179.15 3hbe h VAL 227 N 0.36 0.93 -0.63 3.13 2.07 -1.29 -2.12 116.25 118.71 3hbe h VAL 227 Ca 0.08 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3hbe h VAL 227 Cb 0.51 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3hbe h VAL 227 CO 0.02 0.06 0.36 -1.28 0.02 0.00 0.00 177.57 176.76 3hbe h SER 228 N 0.35 0.75 -0.18 0.57 0.87 -0.69 0.63 113.55 115.86 3hbe h SER 228 Ca 0.17 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 3hbe h SER 228 Cb 0.12 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3hbe h SER 228 CO -0.15 0.59 0.03 0.77 -0.53 0.00 0.00 176.83 177.54 3hbe h SER 229 N 0.86 0.29 -0.08 6.23 4.64 -0.79 0.10 113.55 124.80 3hbe h SER 229 Ca 0.22 -0.26 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3hbe h SER 229 Cb -0.01 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3hbe h SER 229 CO -0.04 0.48 0.04 0.03 -0.87 0.00 0.00 176.83 176.47 3hbe h ARG 230 N 0.09 0.11 -0.61 4.77 3.08 -0.94 -2.52 114.38 118.36 3hbe h ARG 230 Ca 0.06 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.12 3hbe h ARG 230 Cb 0.31 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 3hbe h ARG 230 CO 0.00 0.16 0.36 0.28 -1.07 0.00 0.00 179.97 179.70 3hbe h VAL 231 N 0.04 1.05 -0.40 2.04 2.07 -0.84 -1.15 116.25 119.07 3hbe h VAL 231 Ca 0.03 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.35 3hbe h VAL 231 Cb 0.08 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 3hbe h VAL 231 CO -0.00 0.13 0.15 -1.13 0.02 0.00 0.00 177.57 176.73 3hbe h ASN 232 N 0.71 0.16 -0.62 0.57 -0.00 -0.70 -0.25 115.58 115.45 3hbe h ASN 232 Ca 0.25 0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.60 3hbe h ASN 232 Cb 0.05 0.02 -0.03 0.00 -0.00 0.00 0.00 38.32 38.37 3hbe h ASN 232 CO -0.12 0.13 0.40 1.88 -0.00 0.00 0.00 177.43 179.73 3hbe h TYR 233 N 0.31 0.79 -0.54 0.67 0.99 -1.14 -2.02 116.97 116.03 3hbe h TYR 233 Ca 0.18 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.93 3hbe h TYR 233 Cb 0.16 -0.27 -0.03 0.00 1.00 0.00 0.00 36.73 37.59 3hbe h TYR 233 CO -0.14 0.51 0.34 -0.92 -0.00 0.00 0.00 178.16 177.95 3hbe h TYR 234 N 0.84 0.70 -0.60 4.88 3.20 -0.44 -0.81 116.97 124.74 3hbe h TYR 234 Ca 0.23 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.02 3hbe h TYR 234 Cb -0.08 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 3hbe h TYR 234 CO -0.03 0.47 0.04 0.87 -1.64 0.00 0.00 178.16 177.87 3hbe h LYS 235 N 0.73 1.03 -0.44 1.82 1.57 -0.97 -0.12 116.57 120.20 3hbe h LYS 235 Ca 0.20 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 3hbe h LYS 235 Cb -0.05 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 3hbe h LYS 235 CO -0.04 0.99 0.20 -0.22 -0.57 0.00 0.00 179.45 179.81 3hbe h LYS 236 N 0.93 0.64 -0.42 3.15 3.64 -1.09 -0.93 116.57 122.50 3hbe h LYS 236 Ca 0.18 -0.10 -0.15 0.00 -1.27 0.00 0.00 60.65 59.31 3hbe h LYS 236 Cb 0.50 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3hbe h LYS 236 CO 0.02 0.57 -0.32 0.82 -2.27 0.00 0.00 179.45 178.27 3hbe h ILE 237 N 0.57 1.27 -0.56 2.00 2.04 -0.95 -1.37 117.51 120.50 3hbe h ILE 237 Ca 0.15 -1.49 0.03 0.00 1.00 0.00 0.00 64.86 64.55 3hbe h ILE 237 Cb 0.15 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 3hbe h ILE 237 CO -0.02 0.50 0.33 0.00 0.00 0.00 0.00 178.15 178.96 3hbe h SER 239 N 0.64 1.08 0.42 0.00 0.87 -0.78 0.23 113.55 116.00 3hbe h SER 239 Ca 0.23 -0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.66 3hbe h SER 239 Cb 0.06 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 3hbe h SER 239 CO -0.12 0.77 -0.51 1.56 -0.53 0.00 0.00 176.83 178.00 3hbe h GLN 240 N 1.27 0.10 0.00 2.24 4.20 -0.76 -2.50 115.11 119.66 3hbe h GLN 240 Ca 0.36 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.01 3hbe h GLN 240 Cb -0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.69 3hbe h GLN 240 CO -0.09 0.59 -0.27 1.28 -0.67 0.00 0.00 178.83 179.66 3hbe n LEU 241 N -3.94 0.31 -1.46 1.46 4.77 -0.24 -4.95 117.00 112.94 3hbe n LEU 241 Ca -0.02 0.25 -0.12 0.00 -0.03 0.00 0.00 56.01 56.09 3hbe n LEU 241 Cb 0.53 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3hbe n LEU 241 CO 0.42 0.05 -0.11 0.61 -1.33 0.00 0.00 177.39 177.02 3hbe n GLY 242 N 1.48 -0.09 3.55 -0.72 0.00 0.71 -5.03 105.19 105.09 3hbe n GLY 242 Ca 0.06 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 3hbe n GLY 242 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hbe s VAL 243 N -2.67 3.37 0.23 1.61 0.11 -0.64 -5.02 120.40 117.38 3hbe s VAL 243 Ca 0.04 -0.86 -0.30 0.00 -2.93 0.00 0.00 61.98 57.93 3hbe s VAL 243 Cb -0.02 -2.44 -0.10 0.00 -1.53 0.00 0.00 36.38 32.29 3hbe s VAL 243 CO 0.05 0.41 1.46 -0.62 -3.33 0.00 0.00 175.10 173.07 3hbe s ASP 244 N -1.33 6.65 0.65 3.54 2.15 -1.26 -4.35 116.67 122.72 3hbe s ASP 244 Ca 0.16 2.64 0.43 0.00 0.43 0.00 0.00 52.55 56.21 3hbe s ASP 244 Cb -0.11 -2.62 2.28 0.00 -0.30 0.00 0.00 42.92 42.18 3hbe s ASP 244 CO 0.06 -0.72 2.32 -0.65 -0.17 0.00 0.00 175.17 176.01 3hbe h PRO 245 N 5.43 0.00 0.00 4.34 0.11 -1.95 -3.48 132.00 136.46 3hbe h PRO 245 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hbe h PRO 245 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3hbe h PRO 245 CO 0.81 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.01 3hbe n GLY 246 N -0.91 -2.02 3.96 -0.55 0.00 -1.26 -4.77 105.19 99.63 3hbe n GLY 246 Ca -0.02 -1.53 -0.23 0.00 0.00 0.00 0.00 46.02 44.24 3hbe n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbe s ALA 247 N -1.17 3.72 -1.35 4.61 0.00 -1.26 -4.54 121.76 121.78 3hbe s ALA 247 Ca 0.00 -1.13 -0.06 0.00 0.00 0.00 0.00 51.96 50.77 3hbe s ALA 247 Cb 0.00 -2.20 0.02 0.00 0.00 0.00 0.00 23.12 20.95 3hbe s ALA 247 CO 0.00 -0.67 0.94 0.09 0.00 0.00 0.00 175.76 176.12 3hbe n ASN 248 N -2.32 -3.42 0.06 0.00 3.02 -1.26 -4.28 115.26 107.06 3hbe n ASN 248 Ca 0.05 -0.71 -0.06 0.00 -0.03 0.00 0.00 54.58 53.84 3hbe n ASN 248 Cb 0.59 -4.45 0.11 0.00 -0.61 0.00 0.00 39.78 35.42 3hbe n ASN 248 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3hbe h VAL 249 N -2.12 1.36 -5.53 2.41 2.07 -1.88 0.13 116.25 112.69 3hbe h VAL 249 Ca -0.59 -1.89 -0.59 0.00 0.82 0.00 0.00 66.70 64.45 3hbe h VAL 249 Cb 1.36 1.91 -0.07 0.00 -1.52 0.00 0.00 31.29 32.97 3hbe h VAL 249 CO 0.58 0.57 -0.34 -0.24 0.02 0.00 0.00 177.57 178.16 3hbe n SER 250 N -3.91 2.94 0.00 0.57 2.88 -1.26 -2.19 113.62 112.65 3hbe n SER 250 Ca -0.03 -2.95 0.00 0.00 -1.33 0.00 0.00 58.87 54.57 3hbe n SER 250 Cb 0.60 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 64.16 3hbe n SER 250 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81