#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2b n ASP 60 N 0.00 3.90 -0.33 1.09 8.00 -1.26 -4.63 116.55 123.33 3h2b n ASP 60 Ca 0.00 -3.27 -0.03 0.00 0.71 0.00 0.00 54.79 52.20 3h2b n ASP 60 Cb 0.00 -0.64 0.09 0.00 -0.02 0.00 0.00 41.12 40.55 3h2b n ASP 60 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3h2b h ASP 61 N 1.92 1.00 0.66 -2.24 3.32 -2.03 0.10 116.42 119.15 3h2b h ASP 61 Ca 0.14 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3h2b h ASP 61 Cb 1.81 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 41.12 3h2b h ASP 61 CO 0.44 0.72 -0.32 0.58 -1.72 0.00 0.00 179.24 178.95 3h2b h VAL 62 N 1.18 0.24 -0.91 -1.35 2.07 -1.94 -0.49 116.25 115.06 3h2b h VAL 62 Ca 0.33 -0.24 0.09 0.00 0.82 0.00 0.00 66.70 67.70 3h2b h VAL 62 Cb -0.12 0.31 -0.07 0.00 -1.52 0.00 0.00 31.29 29.89 3h2b h VAL 62 CO -0.08 0.02 0.55 0.77 0.02 0.00 0.00 177.57 178.86 3h2b h SER 63 N -1.06 0.83 -0.26 0.57 4.64 -1.87 -0.11 113.55 116.29 3h2b h SER 63 Ca -0.09 0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.20 3h2b h SER 63 Cb 0.71 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 3h2b h SER 63 CO 0.15 0.49 -0.04 0.11 -0.87 0.00 0.00 176.83 176.67 3h2b h LYS 64 N 0.95 0.61 -0.11 4.77 1.57 -0.72 -1.56 116.57 122.07 3h2b h LYS 64 Ca 0.42 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.96 3h2b h LYS 64 Cb 0.32 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3h2b h LYS 64 CO -0.22 0.66 -0.32 0.00 -0.57 0.00 0.00 179.45 178.99 3h2b h ALA 65 N 1.39 1.25 0.00 3.86 0.00 0.64 -1.88 119.26 124.53 3h2b h ALA 65 Ca 0.11 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3h2b h ALA 65 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3h2b h ALA 65 CO 0.02 0.51 -0.36 1.88 0.00 0.00 0.00 179.25 181.30 3h2b h TYR 66 N 0.19 0.00 0.00 0.00 0.05 -0.38 -2.80 116.97 114.02 3h2b h TYR 66 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3h2b h TYR 66 Cb 0.67 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.41 3h2b h TYR 66 CO 0.01 0.36 -0.07 0.77 -1.05 0.00 0.00 178.16 178.17 3h2b h SER 67 N 0.00 0.00 -3.15 3.88 0.02 -0.52 -3.43 113.55 110.36 3h2b h SER 67 Ca -0.00 -0.01 -0.53 0.00 -0.84 0.00 0.00 61.79 60.41 3h2b h SER 67 Cb 0.93 0.00 0.06 0.00 0.14 0.00 0.00 62.40 63.53 3h2b h SER 67 CO 0.05 0.01 0.84 -0.55 -1.14 0.00 0.00 176.83 176.03 3h2b s SER 68 N -5.34 6.57 0.58 3.07 0.15 -0.93 -4.79 113.70 113.00 3h2b s SER 68 Ca 0.08 2.71 0.30 0.00 0.70 0.00 0.00 55.95 59.75 3h2b s SER 68 Cb 0.09 -2.61 1.78 0.00 -1.71 0.00 0.00 66.02 63.57 3h2b s SER 68 CO 0.65 -0.80 2.22 -0.65 1.20 0.00 0.00 173.24 175.86 3h2b h PRO 69 N 5.69 0.00 -0.35 5.44 0.11 -1.89 -0.94 132.00 140.05 3h2b h PRO 69 Ca -0.45 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 3h2b h PRO 69 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3h2b h PRO 69 CO 0.84 0.03 -0.02 1.15 -0.21 0.00 0.00 178.00 179.79 3h2b h THR 70 N 0.00 1.21 -0.10 -1.15 2.02 -1.92 -1.81 112.91 111.16 3h2b h THR 70 Ca -0.00 -0.84 -0.15 0.00 0.77 0.00 0.00 66.41 66.19 3h2b h THR 70 Cb 0.08 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 3h2b h THR 70 CO 0.00 0.29 -0.58 0.15 0.37 0.00 0.00 175.52 175.75 3h2b h PHE 71 N 0.53 0.41 -5.65 3.16 3.57 -1.42 -3.48 116.94 114.06 3h2b h PHE 71 Ca 0.11 -0.15 -0.30 0.00 3.53 0.00 0.00 57.97 61.16 3h2b h PHE 71 Cb 0.37 -0.07 0.17 0.00 2.79 0.00 0.00 35.95 39.20 3h2b h PHE 71 CO 0.01 0.82 -0.87 -3.47 -2.23 0.00 0.00 178.31 172.58 3h2b n ASP 72 N -3.91 -5.83 -0.31 0.41 -0.08 -0.68 -4.70 116.55 101.45 3h2b n ASP 72 Ca -0.03 -0.77 0.08 0.00 -1.51 0.00 0.00 54.79 52.56 3h2b n ASP 72 Cb 0.60 -4.80 0.24 0.00 2.34 0.00 0.00 41.12 39.51 3h2b n ASP 72 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3h2b h ALA 73 N 0.21 1.36 -0.56 -1.67 0.00 -1.82 -0.74 119.26 116.04 3h2b h ALA 73 Ca -0.62 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.40 3h2b h ALA 73 Cb 1.32 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3h2b h ALA 73 CO 0.46 -0.04 0.37 0.93 0.00 0.00 0.00 179.25 180.97 3h2b h GLU 74 N 0.70 0.61 0.19 0.00 3.07 -1.90 -0.33 114.58 116.92 3h2b h GLU 74 Ca 0.48 -0.04 -0.34 0.00 -0.50 0.00 0.00 59.36 58.97 3h2b h GLU 74 Cb 0.66 -0.14 0.02 0.00 -0.84 0.00 0.00 28.75 28.45 3h2b h GLU 74 CO -0.35 0.40 -1.63 0.00 -1.40 0.00 0.00 179.01 176.03 3h2b h ALA 75 N 1.68 0.08 0.07 3.43 0.00 -1.53 -2.05 119.26 120.94 3h2b h ALA 75 Ca 0.23 -1.05 -0.28 0.00 0.00 0.00 0.00 54.91 53.81 3h2b h ALA 75 Cb 0.12 0.34 0.02 0.00 0.00 0.00 0.00 17.79 18.27 3h2b h ALA 75 CO -0.06 0.95 -1.15 -0.07 0.00 0.00 0.00 179.25 178.92 3h2b h LEU 76 N 0.11 0.79 0.00 0.00 4.07 -1.07 -3.38 115.31 115.83 3h2b h LEU 76 Ca -0.30 -0.70 -0.31 0.00 0.08 0.00 0.00 57.88 56.65 3h2b h LEU 76 Cb 2.11 -0.25 -0.06 0.00 1.08 0.00 0.00 40.66 43.54 3h2b h LEU 76 CO 0.20 1.51 -2.18 0.18 -1.08 0.00 0.00 178.44 177.07 3h2b n LEU 77 N -3.78 1.55 0.00 1.67 4.77 -0.15 -5.09 117.00 115.98 3h2b n LEU 77 Ca -0.11 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3h2b n LEU 77 Cb 0.94 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 3h2b n LEU 77 CO 0.56 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.88 3h2b n GLY 78 N 2.24 1.85 0.00 -0.72 0.00 -0.77 -4.92 105.19 102.86 3h2b n GLY 78 Ca -0.33 -1.98 0.01 0.00 0.00 0.00 0.00 46.02 43.72 3h2b n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h2b n THR 79 N 1.61 0.01 -4.40 2.61 -2.24 -1.25 -4.70 114.28 105.91 3h2b n THR 79 Ca 0.00 -0.03 -0.22 0.00 -2.27 0.00 0.00 64.05 61.53 3h2b n THR 79 Cb 0.00 0.38 -0.13 0.00 -2.10 0.00 0.00 70.33 68.48 3h2b n THR 79 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3h2b s VAL 80 N -2.08 1.33 -0.27 2.28 -7.23 -1.26 -4.33 120.40 108.85 3h2b s VAL 80 Ca -0.00 -1.15 -0.17 0.00 -1.81 0.00 0.00 61.98 58.85 3h2b s VAL 80 Cb 0.01 -1.20 -0.03 0.00 0.56 0.00 0.00 36.38 35.72 3h2b s VAL 80 CO 0.05 0.03 0.46 -0.63 -0.31 0.00 0.00 175.10 174.70 3h2b s ILE 81 N -0.92 5.11 0.19 -0.62 -1.09 -1.26 -5.04 121.20 117.57 3h2b s ILE 81 Ca 0.03 0.74 -0.31 0.00 -2.23 0.00 0.00 60.65 58.89 3h2b s ILE 81 Cb -0.09 -3.78 -0.09 0.00 -1.58 0.00 0.00 42.46 36.92 3h2b s ILE 81 CO 0.02 0.10 1.43 -0.55 -1.23 0.00 0.00 174.94 174.71 3h2b s SER 82 N 1.59 6.73 0.58 3.58 0.15 -1.26 -4.86 113.70 120.20 3h2b s SER 82 Ca 0.19 2.51 0.33 0.00 0.70 0.00 0.00 55.95 59.68 3h2b s SER 82 Cb -0.16 -2.60 1.80 0.00 -1.71 0.00 0.00 66.02 63.35 3h2b s SER 82 CO 0.10 -0.68 2.00 0.00 1.20 0.00 0.00 173.24 175.86 3h2b h ALA 83 N 5.95 1.13 -0.56 5.45 0.00 -2.07 0.24 119.26 129.41 3h2b h ALA 83 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3h2b h ALA 83 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3h2b h ALA 83 CO 0.83 -0.13 0.00 0.39 0.00 0.00 0.00 179.25 180.34 3h2b n GLU 84 N -2.78 2.62 -1.80 0.00 4.71 -1.26 -4.97 120.64 117.15 3h2b n GLU 84 Ca -0.02 -2.43 -0.42 0.00 -0.01 0.00 0.00 57.16 54.28 3h2b n GLU 84 Cb 0.19 -1.51 -0.03 0.00 -1.01 0.00 0.00 31.44 29.08 3h2b n GLU 84 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3h2b s ASP 85 N -1.15 6.49 0.61 1.62 -1.08 0.86 -4.88 116.67 119.14 3h2b s ASP 85 Ca 0.42 2.65 0.36 0.00 -0.52 0.00 0.00 52.55 55.45 3h2b s ASP 85 Cb 0.23 -2.57 1.98 0.00 -1.46 0.00 0.00 42.92 41.10 3h2b s ASP 85 CO 0.30 -0.96 2.26 1.55 0.52 0.00 0.00 175.17 178.84 3h2b h PRO 86 N 8.48 0.00 0.00 4.34 0.13 -1.93 -1.81 132.00 141.21 3h2b h PRO 86 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 3h2b h PRO 86 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3h2b h PRO 86 CO 0.94 0.02 -0.02 -0.44 -0.23 0.00 0.00 178.00 178.27 3h2b h ASP 87 N 0.00 0.00 -0.52 1.44 3.32 -1.96 -3.19 116.42 115.50 3h2b h ASP 87 Ca -0.00 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 3h2b h ASP 87 Cb 0.09 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 3h2b h ASP 87 CO 0.00 0.02 0.30 0.03 -1.72 0.00 0.00 179.24 177.87 3h2b h ARG 88 N 0.00 0.57 0.00 3.56 3.08 -1.70 -0.01 114.38 119.89 3h2b h ARG 88 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3h2b h ARG 88 Cb 0.45 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3h2b h ARG 88 CO 0.00 0.38 0.00 1.33 -1.07 0.00 0.00 179.97 180.61 3h2b n VAL 89 N -4.82 0.98 -0.11 2.04 0.24 -1.21 -1.04 118.33 114.42 3h2b n VAL 89 Ca 0.04 0.39 -0.24 0.00 -2.04 0.00 0.00 64.34 62.49 3h2b n VAL 89 Cb 0.09 -1.33 -0.11 0.00 -1.47 0.00 0.00 33.84 31.03 3h2b n VAL 89 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3h2b n LEU 90 N -2.12 2.00 -0.01 1.34 4.77 -0.51 -4.36 117.00 118.11 3h2b n LEU 90 Ca 0.01 0.35 -0.16 0.00 -0.03 0.00 0.00 56.01 56.18 3h2b n LEU 90 Cb 0.15 -0.93 -0.11 0.00 -2.33 0.00 0.00 43.42 40.21 3h2b n LEU 90 CO 0.15 0.45 0.31 0.40 -1.33 0.00 0.00 177.39 177.37 3h2b h ILE 91 N -0.88 1.49 -0.28 -0.08 2.04 -0.93 -3.31 117.51 115.55 3h2b h ILE 91 Ca -0.49 -2.04 0.01 0.00 1.00 0.00 0.00 64.86 63.34 3h2b h ILE 91 Cb 1.49 2.70 -0.02 0.00 -0.74 0.00 0.00 36.82 40.25 3h2b h ILE 91 CO -0.26 0.58 0.17 -0.33 0.00 0.00 0.00 178.15 178.30 3h2b h GLU 92 N -0.29 0.33 -0.83 2.37 5.08 -1.32 0.06 114.58 119.99 3h2b h GLU 92 Ca -0.06 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3h2b h GLU 92 Cb 1.19 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 3h2b h GLU 92 CO 0.09 0.22 0.55 -1.35 -1.00 0.00 0.00 179.01 177.52 3h2b h PRO 93 N 0.34 1.01 0.12 2.33 0.11 -1.75 -1.48 132.00 132.69 3h2b h PRO 93 Ca 0.11 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 3h2b h PRO 93 Cb -0.01 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 30.87 3h2b h PRO 93 CO -0.05 0.67 -0.06 2.35 -0.21 0.00 0.00 178.00 180.70 3h2b h TRP 94 N 1.04 -0.15 -0.88 0.65 7.01 -1.55 -3.03 115.95 119.03 3h2b h TRP 94 Ca 0.33 -0.00 0.12 0.00 2.11 0.00 0.00 58.89 61.44 3h2b h TRP 94 Cb 0.01 0.05 -0.07 0.00 -2.10 0.00 0.00 29.16 27.06 3h2b h TRP 94 CO -0.00 0.15 0.57 0.00 -2.79 0.00 0.00 178.44 176.37 3h2b h ALA 95 N 0.36 1.74 0.00 2.65 0.00 -0.64 0.19 119.26 123.55 3h2b h ALA 95 Ca -0.02 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3h2b h ALA 95 Cb 0.38 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3h2b h ALA 95 CO 0.03 0.05 -0.14 1.15 0.00 0.00 0.00 179.25 180.34 3h2b h THR 96 N 0.78 0.71 0.00 0.00 2.02 -1.20 -1.84 112.91 113.38 3h2b h THR 96 Ca 0.43 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3h2b h THR 96 Cb 0.57 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 3h2b h THR 96 CO -0.19 0.14 0.00 0.61 0.37 0.00 0.00 175.52 176.45 3h2b n GLY 97 N -0.74 -1.69 3.60 2.16 0.00 0.65 -4.72 105.19 104.45 3h2b n GLY 97 Ca -0.02 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 3h2b n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h2b s VAL 98 N -3.11 4.55 -1.27 1.61 1.01 -0.69 -4.94 120.40 117.55 3h2b s VAL 98 Ca 0.10 1.16 -0.08 0.00 0.00 0.00 0.00 61.98 63.17 3h2b s VAL 98 Cb 0.12 -4.36 0.17 0.00 0.00 0.00 0.00 36.38 32.31 3h2b s VAL 98 CO 0.58 -0.59 1.96 -0.67 0.00 0.00 0.00 175.10 176.39 3h2b n ASP 99 N 6.87 5.99 0.00 3.32 2.03 -1.26 -4.86 116.55 128.64 3h2b n ASP 99 Ca 0.07 -3.16 0.00 0.00 0.52 0.00 0.00 54.79 52.22 3h2b n ASP 99 Cb 0.48 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 3h2b n ASP 99 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3h2b n GLY 100 N 2.32 -0.79 3.71 0.27 0.00 -1.26 -4.95 105.19 104.48 3h2b n GLY 100 Ca 0.44 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 3h2b n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h2b s VAL 101 N -3.00 4.91 0.10 1.61 1.01 -1.26 -4.58 120.40 119.19 3h2b s VAL 101 Ca 0.00 1.89 -0.10 0.00 0.00 0.00 0.00 61.98 63.77 3h2b s VAL 101 Cb 0.00 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 3h2b s VAL 101 CO 0.00 0.17 0.42 -0.63 0.00 0.00 0.00 175.10 175.06 3h2b s ILE 102 N 1.05 5.07 -0.20 2.22 1.01 0.07 -1.35 121.20 129.07 3h2b s ILE 102 Ca 0.48 0.45 -0.01 0.00 0.00 0.00 0.00 60.65 61.56 3h2b s ILE 102 Cb -0.20 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.63 3h2b s ILE 102 CO 0.24 0.23 -0.12 -0.22 0.00 0.00 0.00 174.94 175.08 3h2b s LEU 103 N -2.05 2.52 -0.81 2.97 1.98 0.15 -0.91 118.68 122.54 3h2b s LEU 103 Ca 0.35 -0.51 -0.21 0.00 -2.89 0.00 0.00 54.13 50.87 3h2b s LEU 103 Cb -0.14 -1.61 0.10 0.00 0.66 0.00 0.00 46.19 45.20 3h2b s LEU 103 CO 0.19 -0.01 1.08 -0.62 -1.89 0.00 0.00 176.35 175.10 3h2b s ASP 104 N 1.37 6.40 -0.41 3.68 -1.08 0.19 -0.98 116.67 125.84 3h2b s ASP 104 Ca 0.05 -1.50 -0.28 0.00 -0.52 0.00 0.00 52.55 50.30 3h2b s ASP 104 Cb -0.14 -2.42 -0.00 0.00 -1.46 0.00 0.00 42.92 38.90 3h2b s ASP 104 CO -0.08 -1.28 1.58 -0.69 0.52 0.00 0.00 175.17 175.22 3h2b s VAL 105 N 3.54 3.71 -0.19 1.11 1.01 0.40 -1.15 120.40 128.83 3h2b s VAL 105 Ca 0.29 0.70 -0.01 0.00 0.00 0.00 0.00 61.98 62.96 3h2b s VAL 105 Cb -0.10 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 3h2b s VAL 105 CO -0.00 -0.68 0.16 0.61 0.00 0.00 0.00 175.10 175.18 3h2b n GLY 106 N 5.26 0.46 0.02 4.51 0.00 0.30 -4.41 105.19 111.32 3h2b n GLY 106 Ca 0.19 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 46.02 3h2b n GLY 106 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h2b n SER 107 N -1.60 0.08 0.00 1.61 3.41 -0.53 -4.81 113.62 111.78 3h2b n SER 107 Ca -0.03 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 3h2b n SER 107 Cb 0.52 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 3h2b n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h2b n GLY 108 N -0.33 3.61 0.05 5.00 0.00 -1.26 -0.29 105.19 111.97 3h2b n GLY 108 Ca 0.03 0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.26 3h2b n GLY 108 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h2b n THR 109 N 0.00 0.86 -0.78 2.61 -2.24 -1.26 -4.13 114.28 109.33 3h2b n THR 109 Ca 0.00 0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 3h2b n THR 109 Cb 0.00 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.23 3h2b n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h2b n GLY 110 N 0.15 0.56 0.19 3.38 0.00 0.60 -3.80 105.19 106.27 3h2b n GLY 110 Ca 0.03 -0.50 -0.04 0.00 0.00 0.00 0.00 46.02 45.51 3h2b n GLY 110 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3h2b h ARG 111 N 0.69 0.36 -0.01 1.61 0.11 -1.75 0.31 114.38 115.69 3h2b h ARG 111 Ca 0.00 -0.02 -0.21 0.00 0.10 0.00 0.00 59.98 59.85 3h2b h ARG 111 Cb 0.00 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 31.00 3h2b h ARG 111 CO 0.00 0.24 -0.89 -1.49 0.10 0.00 0.00 179.97 177.93 3h2b h TRP 112 N 0.37 0.47 -0.30 4.08 4.06 -1.90 -2.41 115.95 120.32 3h2b h TRP 112 Ca 0.22 -0.25 -0.01 0.00 2.06 0.00 0.00 58.89 60.91 3h2b h TRP 112 Cb 0.20 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.29 3h2b h TRP 112 CO -0.15 1.06 0.17 1.15 -3.56 0.00 0.00 178.44 177.11 3h2b h THR 113 N 0.19 1.13 -0.35 1.49 2.02 -1.77 0.35 112.91 115.96 3h2b h THR 113 Ca -0.06 -0.34 -0.08 0.00 0.77 0.00 0.00 66.41 66.70 3h2b h THR 113 Cb 1.51 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 3h2b h THR 113 CO 0.15 0.13 -0.10 1.23 0.37 0.00 0.00 175.52 177.30 3h2b h GLY 114 N 0.37 0.75 0.62 2.16 0.00 -1.01 -1.64 103.07 104.31 3h2b h GLY 114 Ca 0.11 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 3h2b h GLY 114 CO -0.02 0.57 -0.46 0.84 0.00 0.00 0.00 176.54 177.47 3h2b h HIS 115 N 0.48 -1.26 -0.62 5.60 6.17 -1.17 0.23 115.15 124.57 3h2b h HIS 115 Ca 0.09 0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.17 3h2b h HIS 115 Cb 0.61 0.48 -0.03 0.00 2.52 0.00 0.00 27.41 30.99 3h2b h HIS 115 CO 0.05 -0.64 0.38 -0.07 0.71 0.00 0.00 177.93 178.36 3h2b h LEU 116 N -0.99 0.74 -0.46 0.26 3.38 -0.98 -2.00 115.31 115.25 3h2b h LEU 116 Ca -0.06 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3h2b h LEU 116 Cb 0.84 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3h2b h LEU 116 CO -0.02 0.56 0.28 0.00 0.09 0.00 0.00 178.44 179.35 3h2b h ALA 117 N 1.57 0.59 0.00 1.53 0.00 -0.89 -1.31 119.26 120.75 3h2b h ALA 117 Ca 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3h2b h ALA 117 Cb -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3h2b h ALA 117 CO -0.04 0.08 0.00 0.66 0.00 0.00 0.00 179.25 179.95 3h2b h SER 118 N 0.62 0.00 -0.05 0.00 4.64 -0.23 -0.95 113.55 117.58 3h2b h SER 118 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3h2b h SER 118 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3h2b h SER 118 CO -0.03 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.11 3h2b n LEU 119 N -2.93 1.30 0.00 5.97 4.77 -0.59 -4.90 117.00 120.62 3h2b n LEU 119 Ca -0.01 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 3h2b n LEU 119 Cb 0.18 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3h2b n LEU 119 CO 0.22 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3h2b n GLY 120 N 1.13 0.84 3.76 -0.72 0.00 -0.36 -5.08 105.19 104.76 3h2b n GLY 120 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3h2b n GLY 120 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h2b s HIS 121 N -2.03 3.73 -0.32 1.61 3.76 -0.67 -5.02 115.29 116.35 3h2b s HIS 121 Ca 0.00 1.36 -0.29 0.00 -0.15 0.00 0.00 55.06 55.98 3h2b s HIS 121 Cb 0.00 -2.72 0.02 0.00 1.11 0.00 0.00 32.58 30.99 3h2b s HIS 121 CO 0.00 0.33 1.08 -0.65 -0.85 0.00 0.00 174.74 174.66 3h2b s GLN 122 N -0.21 4.06 0.05 1.40 -1.52 -1.26 -4.11 119.66 118.07 3h2b s GLN 122 Ca 0.35 1.08 -0.20 0.00 -1.95 0.00 0.00 55.36 54.63 3h2b s GLN 122 Cb -0.20 -3.74 0.05 0.00 -0.22 0.00 0.00 33.01 28.90 3h2b s GLN 122 CO 0.21 -0.91 0.47 -1.50 -0.25 0.00 0.00 175.29 173.31 3h2b s ILE 123 N 3.68 0.04 0.11 1.08 2.07 -1.26 -0.75 121.20 126.16 3h2b s ILE 123 Ca 0.46 -0.34 0.01 0.00 -1.41 0.00 0.00 60.65 59.38 3h2b s ILE 123 Cb -0.12 -0.97 -0.04 0.00 0.13 0.00 0.00 42.46 41.46 3h2b s ILE 123 CO 0.16 -0.19 -0.04 -1.61 -1.91 0.00 0.00 174.94 171.35 3h2b s GLU 124 N -2.47 0.86 0.24 3.50 2.02 -0.08 -4.51 118.70 118.25 3h2b s GLU 124 Ca -0.05 -1.36 0.11 0.00 0.02 0.00 0.00 54.97 53.68 3h2b s GLU 124 Cb -0.01 -0.15 -0.05 0.00 0.10 0.00 0.00 34.13 34.03 3h2b s GLU 124 CO -0.02 -0.06 -0.16 0.20 0.02 0.00 0.00 175.26 175.24 3h2b s GLY 125 N -3.05 1.77 -0.13 -1.39 0.00 0.17 -0.64 107.32 104.06 3h2b s GLY 125 Ca 0.14 -1.70 -0.01 0.00 0.00 0.00 0.00 44.72 43.15 3h2b s GLY 125 CO -0.03 -1.76 -0.05 -2.27 0.00 0.00 0.00 173.10 168.99 3h2b s LEU 126 N -3.20 1.23 -0.12 0.66 2.96 -0.30 0.14 118.68 120.05 3h2b s LEU 126 Ca 0.27 -0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 53.71 3h2b s LEU 126 Cb -0.07 -0.79 0.06 0.00 0.50 0.00 0.00 46.19 45.90 3h2b s LEU 126 CO 0.15 -0.16 0.26 -0.70 -1.32 0.00 0.00 176.35 174.57 3h2b s GLU 127 N 1.73 0.17 0.25 1.98 2.56 -0.16 0.11 118.70 125.34 3h2b s GLU 127 Ca 0.03 0.70 0.15 0.00 0.00 0.00 0.00 54.97 55.84 3h2b s GLU 127 Cb -0.14 -0.05 0.03 0.00 2.00 0.00 0.00 34.13 35.97 3h2b s GLU 127 CO -0.08 -0.25 1.38 -1.00 -0.56 0.00 0.00 175.26 174.75 3h2b h PRO 128 N 7.99 0.00 -6.03 4.30 0.13 -1.73 -3.01 132.00 133.65 3h2b h PRO 128 Ca -0.21 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.40 3h2b h PRO 128 Cb 1.13 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 3h2b h PRO 128 CO 0.20 0.52 1.35 0.00 -0.23 0.00 0.00 178.00 179.83 3h2b s ALA 129 N -2.94 2.29 0.18 -0.56 0.00 -1.26 -4.82 121.76 114.65 3h2b s ALA 129 Ca 0.03 -0.44 -0.23 0.00 0.00 0.00 0.00 51.96 51.32 3h2b s ALA 129 Cb 0.08 -4.24 0.08 0.00 0.00 0.00 0.00 23.12 19.03 3h2b s ALA 129 CO 0.76 -3.65 1.57 1.15 0.00 0.00 0.00 175.76 175.59 3h2b h THR 130 N 6.90 0.12 -0.76 0.00 2.02 -1.85 0.22 112.91 119.56 3h2b h THR 130 Ca -0.27 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 3h2b h THR 130 Cb 1.17 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 3h2b h THR 130 CO 1.18 0.00 0.43 -0.09 0.37 0.00 0.00 175.52 177.41 3h2b h ARG 131 N -0.20 1.03 -0.24 6.66 2.43 -1.90 -1.95 114.38 120.22 3h2b h ARG 131 Ca 0.20 -0.10 -0.14 0.00 -0.81 0.00 0.00 59.98 59.13 3h2b h ARG 131 Cb 0.56 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3h2b h ARG 131 CO -0.69 0.74 -0.39 -0.07 -1.51 0.00 0.00 179.97 178.06 3h2b h LEU 132 N 1.05 0.75 -0.97 3.80 3.38 -1.53 -1.68 115.31 120.11 3h2b h LEU 132 Ca 0.27 -0.53 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 3h2b h LEU 132 Cb -0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3h2b h LEU 132 CO -0.05 1.13 0.06 1.62 0.09 0.00 0.00 178.44 181.29 3h2b h VAL 133 N 0.39 1.23 -0.23 1.22 3.04 -0.83 0.37 116.25 121.45 3h2b h VAL 133 Ca 0.02 -0.91 -0.16 0.00 -1.01 0.00 0.00 66.70 64.64 3h2b h VAL 133 Cb 0.98 0.79 -0.01 0.00 -2.01 0.00 0.00 31.29 31.04 3h2b h VAL 133 CO 0.09 0.33 -0.49 -0.33 -1.01 0.00 0.00 177.57 176.15 3h2b h GLU 134 N 0.76 0.64 -0.32 4.17 5.08 -1.34 -2.13 114.58 121.44 3h2b h GLU 134 Ca 0.16 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 3h2b h GLU 134 Cb 0.38 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3h2b h GLU 134 CO 0.01 0.99 0.05 1.25 -1.00 0.00 0.00 179.01 180.31 3h2b h LEU 135 N 0.50 0.50 -0.53 1.33 5.85 -0.81 -2.56 115.31 119.60 3h2b h LEU 135 Ca 0.02 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.53 3h2b h LEU 135 Cb 1.04 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 3h2b h LEU 135 CO 0.10 0.63 0.27 0.00 -0.34 0.00 0.00 178.44 179.10 3h2b h ALA 136 N 0.89 0.69 -0.84 1.25 0.00 -0.81 -1.39 119.26 119.04 3h2b h ALA 136 Ca 0.10 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3h2b h ALA 136 Cb 0.34 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3h2b h ALA 136 CO 0.01 -0.08 0.55 0.00 0.00 0.00 0.00 179.25 179.72 3h2b h ARG 137 N 0.52 1.06 -0.02 0.00 3.08 -1.24 0.15 114.38 117.93 3h2b h ARG 137 Ca 0.24 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 60.07 3h2b h ARG 137 Cb 0.15 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3h2b h ARG 137 CO -0.17 0.70 -0.71 -0.56 -1.07 0.00 0.00 179.97 178.16 3h2b h GLN 138 N 1.09 0.10 -0.01 0.04 3.07 -1.05 -2.38 115.11 115.97 3h2b h GLN 138 Ca 0.32 -0.08 -0.22 0.00 0.09 0.00 0.00 58.65 58.75 3h2b h GLN 138 Cb -0.07 0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.51 3h2b h GLN 138 CO -0.09 0.77 -0.93 1.15 0.09 0.00 0.00 178.83 179.82 3h2b h THR 139 N 0.06 1.39 -2.24 1.86 2.02 -0.88 -3.37 112.91 111.76 3h2b h THR 139 Ca -0.01 -2.41 -0.59 0.00 0.77 0.00 0.00 66.41 64.17 3h2b h THR 139 Cb 1.26 2.39 -0.40 0.00 -1.74 0.00 0.00 68.15 69.65 3h2b h THR 139 CO 0.10 0.72 -0.83 1.41 0.37 0.00 0.00 175.52 177.29 3h2b n HIS 140 N -3.76 1.52 0.32 3.16 8.25 0.49 -4.96 115.22 120.25 3h2b n HIS 140 Ca -0.07 -3.85 0.20 0.00 -0.26 0.00 0.00 57.72 53.74 3h2b n HIS 140 Cb 0.83 -0.39 1.05 0.00 1.12 0.00 0.00 29.99 32.60 3h2b n HIS 140 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3h2b h PRO 141 N 4.42 0.00 0.00 -0.41 0.13 -1.60 -1.41 132.00 133.13 3h2b h PRO 141 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3h2b h PRO 141 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3h2b h PRO 141 CO 0.62 0.00 -0.27 0.45 -0.23 0.00 0.00 178.00 178.57 3h2b n SER 142 N -3.13 0.44 -4.78 1.44 2.88 -1.26 -4.87 113.62 104.34 3h2b n SER 142 Ca -0.02 0.23 -0.36 0.00 -1.33 0.00 0.00 58.87 57.39 3h2b n SER 142 Cb 0.19 -0.21 -0.08 0.00 -0.75 0.00 0.00 64.21 63.37 3h2b n SER 142 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3h2b s VAL 143 N -3.06 4.88 -0.08 2.46 1.01 -0.53 -5.09 120.40 119.99 3h2b s VAL 143 Ca 0.11 -0.06 -0.24 0.00 0.00 0.00 0.00 61.98 61.79 3h2b s VAL 143 Cb 0.16 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 3h2b s VAL 143 CO 0.63 0.59 0.74 -0.89 0.00 0.00 0.00 175.10 176.17 3h2b s THR 144 N -0.98 5.01 -0.14 3.92 2.01 -1.26 -4.90 115.64 119.30 3h2b s THR 144 Ca 0.15 1.51 0.00 0.00 0.31 0.00 0.00 61.69 63.66 3h2b s THR 144 Cb -0.12 -4.07 0.03 0.00 0.01 0.00 0.00 72.50 68.34 3h2b s THR 144 CO 0.04 0.21 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.70 3h2b s PHE 145 N 1.05 2.00 -0.09 4.92 0.08 -1.26 -0.65 117.98 124.03 3h2b s PHE 145 Ca 0.38 -1.12 -0.19 0.00 0.12 0.00 0.00 56.93 56.12 3h2b s PHE 145 Cb -0.18 -1.50 -0.04 0.00 -0.57 0.00 0.00 43.02 40.73 3h2b s PHE 145 CO 0.18 -0.64 0.53 -1.01 -0.10 0.00 0.00 175.22 174.18 3h2b s HIS 146 N 1.54 3.55 -0.71 0.36 3.76 0.12 -4.95 115.29 118.96 3h2b s HIS 146 Ca 0.04 0.99 -0.20 0.00 -0.15 0.00 0.00 55.06 55.75 3h2b s HIS 146 Cb -0.13 -2.59 0.11 0.00 1.11 0.00 0.00 32.58 31.07 3h2b s HIS 146 CO -0.10 0.20 0.89 -1.58 -0.85 0.00 0.00 174.74 173.30 3h2b s HIS 147 N 0.49 2.96 0.08 1.40 2.46 -1.26 -0.99 115.29 120.44 3h2b s HIS 147 Ca 0.28 -0.99 -0.25 0.00 0.47 0.00 0.00 55.06 54.57 3h2b s HIS 147 Cb -0.16 -4.16 0.09 0.00 -0.13 0.00 0.00 32.58 28.22 3h2b s HIS 147 CO 0.13 -1.44 1.16 0.20 -2.47 0.00 0.00 174.74 172.32 3h2b s GLY 148 N 3.56 -0.01 0.37 1.59 0.00 -1.14 -4.91 107.32 106.79 3h2b s GLY 148 Ca 0.20 -0.15 0.08 0.00 0.00 0.00 0.00 44.72 44.85 3h2b s GLY 148 CO 0.03 4.05 0.18 -0.51 0.00 0.00 0.00 173.10 176.86 3h2b s THR 149 N -2.08 2.77 0.24 0.90 -4.23 -1.26 -2.30 115.64 109.68 3h2b s THR 149 Ca 0.26 -1.65 -0.04 0.00 -1.18 0.00 0.00 61.69 59.08 3h2b s THR 149 Cb -0.02 -2.99 0.22 0.00 1.34 0.00 0.00 72.50 71.05 3h2b s THR 149 CO 0.02 -0.11 1.73 0.40 -0.54 0.00 0.00 174.62 176.13 3h2b h ILE 150 N 1.44 0.66 0.00 2.99 2.04 -1.98 0.13 117.51 122.79 3h2b h ILE 150 Ca -0.43 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 3h2b h ILE 150 Cb 1.25 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3h2b h ILE 150 CO 0.64 0.08 -0.14 0.00 0.00 0.00 0.00 178.15 178.73 3h2b h THR 151 N 0.45 0.59 0.00 -0.27 1.03 -1.95 -1.69 112.91 111.07 3h2b h THR 151 Ca 0.41 -0.65 0.00 0.00 -0.01 0.00 0.00 66.41 66.17 3h2b h THR 151 Cb 0.62 1.42 0.00 0.00 -1.07 0.00 0.00 68.15 69.12 3h2b h THR 151 CO -0.40 0.14 0.00 0.44 -0.01 0.00 0.00 175.52 175.69 3h2b h ASP 152 N 0.00 0.00 -0.05 0.00 3.32 -1.13 -2.76 116.42 115.79 3h2b h ASP 152 Ca -0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.06 3h2b h ASP 152 Cb 0.41 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 3h2b h ASP 152 CO 0.02 0.00 0.04 -0.07 -1.72 0.00 0.00 179.24 177.51 3h2b h LEU 153 N 0.00 0.00 -2.24 1.55 3.38 -1.25 -1.07 115.31 115.68 3h2b h LEU 153 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3h2b h LEU 153 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3h2b h LEU 153 CO 0.00 0.00 -0.03 0.77 0.09 0.00 0.00 178.44 179.27 3h2b h SER 154 N 0.00 0.00 0.55 -0.43 4.64 -1.68 -2.51 113.55 114.13 3h2b h SER 154 Ca 0.03 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.23 3h2b h SER 154 Cb 0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 3h2b h SER 154 CO -0.00 0.03 -0.55 0.44 -0.87 0.00 0.00 176.83 175.88 3h2b h ASP 155 N 0.00 0.00 -3.58 4.97 3.32 -1.40 -3.44 116.42 116.29 3h2b h ASP 155 Ca -0.00 -0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 3h2b h ASP 155 Cb 0.24 -0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.62 3h2b h ASP 155 CO 0.00 0.55 -0.69 -0.55 -1.72 0.00 0.00 179.24 176.84 3h2b s SER 156 N -6.87 4.74 0.00 6.45 0.15 -0.95 -5.00 113.70 112.22 3h2b s SER 156 Ca -0.02 -0.05 0.32 0.00 0.70 0.00 0.00 55.95 56.90 3h2b s SER 156 Cb 0.13 -1.18 1.88 0.00 -1.71 0.00 0.00 66.02 65.14 3h2b s SER 156 CO 0.75 0.33 2.21 -0.81 1.20 0.00 0.00 173.24 176.92 3h2b n PRO 157 N 1.89 1.01 -1.73 5.44 -0.04 -1.26 -4.89 135.00 135.41 3h2b n PRO 157 Ca -0.17 -0.01 -0.38 0.00 -0.04 0.00 0.00 63.50 62.90 3h2b n PRO 157 Cb 0.53 -1.49 0.05 0.00 -0.04 0.00 0.00 33.50 32.54 3h2b n PRO 157 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3h2b n LYS 158 N -0.98 1.51 -4.03 0.54 5.02 -1.26 -5.04 118.16 113.92 3h2b n LYS 158 Ca 0.24 0.56 -0.12 0.00 -2.02 0.00 0.00 58.31 56.97 3h2b n LYS 158 Cb 0.11 -2.52 -0.12 0.00 -0.02 0.00 0.00 35.03 32.48 3h2b n LYS 158 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3h2b s ARG 159 N -2.95 0.38 0.24 1.97 0.52 -1.26 -4.75 118.95 113.11 3h2b s ARG 159 Ca 0.74 -0.54 0.09 0.00 -0.52 0.00 0.00 55.73 55.50 3h2b s ARG 159 Cb -0.41 -0.15 -0.04 0.00 0.52 0.00 0.00 34.95 34.86 3h2b s ARG 159 CO 0.47 0.02 -0.03 -1.58 0.02 0.00 0.00 175.30 174.20 3h2b s TRP 160 N -1.07 2.67 -0.39 -0.53 0.51 0.43 -4.88 118.94 115.68 3h2b s TRP 160 Ca -0.09 -0.22 0.22 0.00 -2.12 0.00 0.00 56.10 53.88 3h2b s TRP 160 Cb -0.08 -1.21 0.28 0.00 -0.81 0.00 0.00 33.47 31.66 3h2b s TRP 160 CO -0.00 0.60 1.57 0.00 -0.51 0.00 0.00 176.95 178.61 3h2b h ALA 161 N 2.16 0.93 -2.25 0.98 0.00 -1.53 0.38 119.26 119.94 3h2b h ALA 161 Ca -0.45 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 3h2b h ALA 161 Cb 1.24 -0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.83 3h2b h ALA 161 CO 0.59 0.12 0.02 0.20 0.00 0.00 0.00 179.25 180.17 3h2b s GLY 162 N -4.26 -0.42 -0.10 0.00 0.00 -1.19 -2.51 107.32 98.84 3h2b s GLY 162 Ca 0.06 0.88 0.02 0.00 0.00 0.00 0.00 44.72 45.69 3h2b s GLY 162 CO 0.69 0.58 -0.17 1.08 0.00 0.00 0.00 173.10 175.27 3h2b s LEU 163 N -1.37 1.83 -0.24 0.66 1.43 0.60 -0.67 118.68 120.91 3h2b s LEU 163 Ca -0.11 -0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 52.50 3h2b s LEU 163 Cb -0.02 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 45.06 3h2b s LEU 163 CO 0.06 0.06 -0.01 -0.22 0.23 0.00 0.00 176.35 176.47 3h2b s LEU 164 N 0.74 3.18 -0.59 1.79 2.96 -0.16 -0.89 118.68 125.71 3h2b s LEU 164 Ca -0.11 -0.53 0.04 0.00 -0.22 0.00 0.00 54.13 53.31 3h2b s LEU 164 Cb -0.16 -1.77 0.16 0.00 0.50 0.00 0.00 46.19 44.92 3h2b s LEU 164 CO 0.02 -0.08 0.39 0.00 -1.32 0.00 0.00 176.35 175.36 3h2b s ALA 165 N 1.46 3.19 -0.82 5.97 0.00 0.26 -0.45 121.76 131.36 3h2b s ALA 165 Ca 0.04 -3.37 -0.21 0.00 0.00 0.00 0.00 51.96 48.41 3h2b s ALA 165 Cb -0.15 -2.06 0.09 0.00 0.00 0.00 0.00 23.12 21.00 3h2b s ALA 165 CO -0.02 -2.06 1.11 -0.46 0.00 0.00 0.00 175.76 174.33 3h2b s TRP 166 N -0.76 2.82 -1.82 0.00 -0.00 -1.26 -1.91 118.94 116.01 3h2b s TRP 166 Ca 0.23 -0.91 0.00 0.00 -0.00 0.00 0.00 56.10 55.42 3h2b s TRP 166 Cb -0.11 -4.36 0.00 0.00 -0.00 0.00 0.00 33.47 29.00 3h2b s TRP 166 CO -0.11 -1.64 0.00 0.66 -0.00 0.00 0.00 176.95 175.86 3h2b n TYR 167 N 7.47 -0.53 1.19 5.86 4.02 -1.12 -4.88 117.16 129.17 3h2b n TYR 167 Ca 0.13 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.14 3h2b n TYR 167 Cb 0.48 -3.55 0.26 0.00 -0.02 0.00 0.00 39.34 36.51 3h2b n TYR 167 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3h2b n SER 168 N -1.45 2.18 -0.32 7.72 3.41 -1.26 -4.12 113.62 119.78 3h2b n SER 168 Ca -0.21 -1.66 0.03 0.00 -0.26 0.00 0.00 58.87 56.77 3h2b n SER 168 Cb 0.66 0.08 0.05 0.00 -0.26 0.00 0.00 64.21 64.73 3h2b n SER 168 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h2b n LEU 169 N 0.58 1.90 0.29 1.04 4.77 -1.26 -4.73 117.00 119.59 3h2b n LEU 169 Ca 0.15 -1.32 0.15 0.00 -0.03 0.00 0.00 56.01 54.96 3h2b n LEU 169 Cb 0.48 -0.05 0.90 0.00 -2.33 0.00 0.00 43.42 42.42 3h2b n LEU 169 CO 0.18 0.42 1.10 0.16 -1.33 0.00 0.00 177.39 177.93 3h2b h ILE 170 N 1.33 0.50 -1.85 -0.08 3.07 -1.88 -3.46 117.51 115.14 3h2b h ILE 170 Ca 0.00 -0.11 -0.74 0.00 1.55 0.00 0.00 64.86 65.57 3h2b h ILE 170 Cb 0.40 1.07 -0.16 0.00 -0.27 0.00 0.00 36.82 37.86 3h2b h ILE 170 CO 0.00 0.02 1.61 1.41 -1.05 0.00 0.00 178.15 180.14 3h2b n HIS 171 N -3.76 4.46 -3.79 0.16 8.25 -1.26 -0.50 115.22 118.77 3h2b n HIS 171 Ca -0.03 -3.19 -0.09 0.00 -0.26 0.00 0.00 57.72 54.15 3h2b n HIS 171 Cb 0.11 -2.17 0.01 0.00 1.12 0.00 0.00 29.99 29.06 3h2b n HIS 171 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h2b n GLY 173 N 3.88 1.51 0.35 -1.41 0.00 -1.26 -4.88 105.19 103.38 3h2b n GLY 173 Ca 0.39 -1.35 0.18 0.00 0.00 0.00 0.00 46.02 45.24 3h2b n GLY 173 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h2b h PRO 174 N 0.00 0.00 -0.24 1.61 0.13 -1.99 -0.15 132.00 131.37 3h2b h PRO 174 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3h2b h PRO 174 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3h2b h PRO 174 CO 0.35 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.53 3h2b n GLY 175 N -1.34 0.88 0.08 1.56 0.00 -1.26 -4.49 105.19 100.62 3h2b n GLY 175 Ca 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3h2b n GLY 175 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3h2b n GLU 176 N 0.84 0.00 -0.18 1.61 2.13 -0.17 -4.87 120.64 120.00 3h2b n GLU 176 Ca 0.17 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.97 3h2b n GLU 176 Cb 0.46 -0.73 0.08 0.00 0.27 0.00 0.00 31.44 31.51 3h2b n GLU 176 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3h2b h LEU 177 N 0.00 0.22 -0.61 4.31 5.85 -1.52 -2.39 115.31 121.17 3h2b h LEU 177 Ca 0.00 0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.91 3h2b h LEU 177 Cb 0.52 0.04 -0.11 0.00 0.37 0.00 0.00 40.66 41.47 3h2b h LEU 177 CO 0.00 0.15 -0.13 -0.65 -0.34 0.00 0.00 178.44 177.47 3h2b h PRO 178 N 0.40 0.01 0.00 5.25 0.11 -1.82 0.42 132.00 136.37 3h2b h PRO 178 Ca 0.27 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.31 3h2b h PRO 178 Cb 0.29 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 3h2b h PRO 178 CO -0.26 0.01 -0.31 -0.44 -0.21 0.00 0.00 178.00 176.79 3h2b h ASP 179 N 0.01 0.00 -0.14 -2.05 3.32 -1.87 -2.70 116.42 112.99 3h2b h ASP 179 Ca 0.30 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.21 3h2b h ASP 179 Cb 0.46 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 3h2b h ASP 179 CO -0.61 0.31 -0.40 0.00 -1.72 0.00 0.00 179.24 176.81 3h2b h ALA 180 N 1.69 0.77 -0.10 3.45 0.00 -0.69 -2.12 119.26 122.27 3h2b h ALA 180 Ca -0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 3h2b h ALA 180 Cb 1.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3h2b h ALA 180 CO 0.04 0.66 -0.40 -0.07 0.00 0.00 0.00 179.25 179.48 3h2b h LEU 181 N 0.55 0.21 -0.25 0.00 3.38 -0.84 -1.59 115.31 116.78 3h2b h LEU 181 Ca 0.05 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3h2b h LEU 181 Cb 0.93 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3h2b h LEU 181 CO 0.08 0.60 0.01 0.58 0.09 0.00 0.00 178.44 179.81 3h2b h VAL 182 N 0.18 1.25 -0.78 1.22 2.07 -1.26 -0.75 116.25 118.18 3h2b h VAL 182 Ca 0.02 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 3h2b h VAL 182 Cb 0.79 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 3h2b h VAL 182 CO 0.06 0.27 0.48 0.00 0.02 0.00 0.00 177.57 178.40 3h2b h ALA 183 N 0.83 1.39 -0.37 1.67 0.00 -1.13 -2.14 119.26 119.51 3h2b h ALA 183 Ca 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3h2b h ALA 183 Cb 0.38 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3h2b h ALA 183 CO 0.01 0.54 0.12 -0.07 0.00 0.00 0.00 179.25 179.85 3h2b h LEU 184 N 1.07 0.53 -2.40 0.00 4.07 -1.00 -2.81 115.31 114.77 3h2b h LEU 184 Ca 0.28 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 58.04 3h2b h LEU 184 Cb -0.07 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.53 3h2b h LEU 184 CO -0.06 0.59 0.00 -1.14 -1.08 0.00 0.00 178.44 176.76 3h2b n ARG 185 N -4.63 0.00 0.00 1.13 3.00 -0.31 -2.75 116.66 113.09 3h2b n ARG 185 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 3h2b n ARG 185 Cb 0.17 -1.30 0.00 0.00 0.00 0.00 0.00 32.46 31.33 3h2b n ARG 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3h2b n ALA 187 N 0.99 0.00 -2.37 5.13 0.00 -1.06 -4.76 120.51 118.44 3h2b n ALA 187 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 3h2b n ALA 187 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 3h2b n ALA 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h2b s VAL 188 N 0.00 2.26 0.59 0.00 0.11 -1.11 -0.43 120.40 121.82 3h2b s VAL 188 Ca 0.00 -1.46 -0.19 0.00 -2.93 0.00 0.00 61.98 57.39 3h2b s VAL 188 Cb 0.00 -1.92 -0.03 0.00 -1.53 0.00 0.00 36.38 32.90 3h2b s VAL 188 CO 0.00 0.29 1.25 -1.61 -3.33 0.00 0.00 175.10 171.70 3h2b s GLU 189 N -1.48 2.93 0.23 1.54 0.41 0.12 -4.85 118.70 117.60 3h2b s GLU 189 Ca 0.13 1.94 -0.32 0.00 -0.41 0.00 0.00 54.97 56.31 3h2b s GLU 189 Cb -0.10 -1.97 -0.12 0.00 -1.78 0.00 0.00 34.13 30.15 3h2b s GLU 189 CO 0.04 -1.27 1.69 -0.25 -0.49 0.00 0.00 175.26 174.97 3h2b n ASP 190 N -1.54 3.93 0.00 -0.19 10.43 -1.26 0.34 116.55 128.26 3h2b n ASP 190 Ca 0.13 1.08 0.00 0.00 2.57 0.00 0.00 54.79 58.58 3h2b n ASP 190 Cb 0.49 -1.57 0.00 0.00 1.84 0.00 0.00 41.12 41.87 3h2b n ASP 190 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3h2b n GLY 191 N 3.48 1.26 3.55 0.44 0.00 -0.16 -4.99 105.19 108.77 3h2b n GLY 191 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 3h2b n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h2b s GLY 192 N -1.83 1.54 0.15 -0.02 0.00 0.15 -4.48 107.32 102.83 3h2b s GLY 192 Ca 0.00 -0.30 0.06 0.00 0.00 0.00 0.00 44.72 44.48 3h2b s GLY 192 CO 0.00 0.41 0.04 -0.32 0.00 0.00 0.00 173.10 173.23 3h2b s GLY 193 N -2.92 1.77 -0.05 0.20 0.00 -1.05 -0.44 107.32 104.84 3h2b s GLY 193 Ca 0.68 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 44.14 3h2b s GLY 193 CO 0.62 -1.27 -0.03 -2.27 0.00 0.00 0.00 173.10 170.14 3h2b s LEU 194 N -2.85 1.17 0.20 0.66 2.96 0.37 -0.29 118.68 120.90 3h2b s LEU 194 Ca 0.28 -0.12 0.09 0.00 -0.22 0.00 0.00 54.13 54.16 3h2b s LEU 194 Cb -0.10 -0.44 -0.05 0.00 0.50 0.00 0.00 46.19 46.10 3h2b s LEU 194 CO 0.20 -0.09 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.75 3h2b s LEU 195 N 1.15 2.52 -0.09 -0.68 2.96 -0.07 -0.25 118.68 124.23 3h2b s LEU 195 Ca -0.07 -0.96 -0.25 0.00 -0.22 0.00 0.00 54.13 52.63 3h2b s LEU 195 Cb -0.14 -0.81 0.06 0.00 0.50 0.00 0.00 46.19 45.79 3h2b s LEU 195 CO -0.01 -0.08 0.58 -0.94 -1.32 0.00 0.00 176.35 174.57 3h2b s SER 197 N -3.10 -0.54 0.16 3.68 1.04 -0.80 -0.58 113.70 113.57 3h2b s SER 197 Ca 0.21 0.70 -0.06 0.00 0.48 0.00 0.00 55.95 57.28 3h2b s SER 197 Cb -0.03 0.66 0.02 0.00 0.10 0.00 0.00 66.02 66.77 3h2b s SER 197 CO 0.08 -0.47 0.32 2.22 0.98 0.00 0.00 173.24 176.37 3h2b n PHE 198 N 1.45 -1.55 -4.37 5.02 -1.74 0.17 -2.81 117.46 113.64 3h2b n PHE 198 Ca -0.18 -0.77 -0.34 0.00 -0.56 0.00 0.00 57.45 55.60 3h2b n PHE 198 Cb 0.56 0.38 -0.12 0.00 1.52 0.00 0.00 39.48 41.83 3h2b n PHE 198 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 3h2b s PHE 199 N -6.12 3.05 0.54 2.97 0.08 -1.26 -0.34 117.98 116.90 3h2b s PHE 199 Ca 0.07 -0.23 0.02 0.00 0.12 0.00 0.00 56.93 56.91 3h2b s PHE 199 Cb -0.02 -1.96 0.02 0.00 -0.57 0.00 0.00 43.02 40.49 3h2b s PHE 199 CO 0.05 0.01 0.17 0.45 -0.10 0.00 0.00 175.22 175.80 3h2b n SER 200 N 3.44 3.20 0.00 1.36 2.88 0.68 0.04 113.62 125.21 3h2b n SER 200 Ca -0.17 -3.16 0.00 0.00 -1.33 0.00 0.00 58.87 54.21 3h2b n SER 200 Cb 0.52 0.20 0.00 0.00 -0.75 0.00 0.00 64.21 64.19 3h2b n SER 200 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h2b n GLY 201 N -1.47 -1.63 0.24 0.46 0.00 -1.26 -4.64 105.19 96.89 3h2b n GLY 201 Ca -0.14 -1.09 0.12 0.00 0.00 0.00 0.00 46.02 44.92 3h2b n GLY 201 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h2b h PRO 202 N 0.00 0.00 -3.52 1.61 0.13 -1.96 -3.35 132.00 124.90 3h2b h PRO 202 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 3h2b h PRO 202 Cb 0.00 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 30.96 3h2b h PRO 202 CO 0.00 0.13 -0.37 -1.54 -0.23 0.00 0.00 178.00 175.99 3h2b s SER 203 N -6.03 0.01 -0.52 1.44 1.04 -1.26 -4.91 113.70 103.47 3h2b s SER 203 Ca 0.02 -0.34 -0.28 0.00 0.48 0.00 0.00 55.95 55.82 3h2b s SER 203 Cb 0.09 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.52 3h2b s SER 203 CO 0.61 -0.56 1.43 -0.22 0.98 0.00 0.00 173.24 175.48 3h2b s LEU 204 N -2.08 3.45 0.05 2.42 0.20 -1.26 -4.60 118.68 116.87 3h2b s LEU 204 Ca -0.05 0.45 -0.08 0.00 0.69 0.00 0.00 54.13 55.15 3h2b s LEU 204 Cb -0.01 -3.19 -0.00 0.00 -0.43 0.00 0.00 46.19 42.56 3h2b s LEU 204 CO -0.04 -1.65 0.15 -1.83 -0.29 0.00 0.00 176.35 172.70 3h2b s GLU 205 N 5.39 0.71 0.54 1.98 -1.05 -1.09 -4.97 118.70 120.21 3h2b s GLU 205 Ca 0.56 -0.80 -0.09 0.00 -0.15 0.00 0.00 54.97 54.48 3h2b s GLU 205 Cb -0.12 0.29 0.13 0.00 -0.44 0.00 0.00 34.13 33.99 3h2b s GLU 205 CO 0.27 -0.20 0.64 -0.35 0.95 0.00 0.00 175.26 176.57 3h2b n PRO 206 N 0.43 -1.12 -3.75 -4.83 -0.04 -1.26 -0.35 135.00 124.09 3h2b n PRO 206 Ca -0.17 -1.00 -0.35 0.00 -0.04 0.00 0.00 63.50 61.93 3h2b n PRO 206 Cb 0.60 -0.74 -0.05 0.00 -0.04 0.00 0.00 33.50 33.26 3h2b n PRO 206 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3h2b s TYR 208 N -2.34 3.59 -0.28 0.54 5.04 -1.26 -4.80 117.35 117.84 3h2b s TYR 208 Ca 0.38 0.61 -0.19 0.00 -2.44 0.00 0.00 57.07 55.43 3h2b s TYR 208 Cb -0.02 -2.02 0.09 0.00 0.35 0.00 0.00 41.96 40.36 3h2b s TYR 208 CO 0.27 0.63 0.76 -1.58 -1.34 0.00 0.00 175.55 174.29 3h2b s HIS 209 N -1.25 -0.89 0.26 4.97 5.65 -1.26 -4.72 115.29 118.05 3h2b s HIS 209 Ca 0.26 1.90 -0.03 0.00 0.25 0.00 0.00 55.06 57.44 3h2b s HIS 209 Cb -0.13 0.47 0.53 0.00 -1.18 0.00 0.00 32.58 32.27 3h2b s HIS 209 CO 0.14 -0.44 1.69 -1.35 -0.65 0.00 0.00 174.74 174.14 3h2b h PRO 210 N 6.08 0.30 0.52 2.88 0.11 -2.01 -3.06 132.00 136.81 3h2b h PRO 210 Ca -0.29 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 3h2b h PRO 210 Cb 1.20 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.25 3h2b h PRO 210 CO 0.13 0.20 -0.25 0.28 -0.21 0.00 0.00 178.00 178.15 3h2b h VAL 211 N 0.31 0.22 -2.41 3.15 2.07 -1.97 -3.49 116.25 114.12 3h2b h VAL 211 Ca 0.45 -0.48 0.17 0.00 0.82 0.00 0.00 66.70 67.66 3h2b h VAL 211 Cb 0.80 0.32 -0.08 0.00 -1.52 0.00 0.00 31.29 30.81 3h2b h VAL 211 CO -0.52 0.04 0.46 0.00 0.02 0.00 0.00 177.57 177.57 3h2b s ALA 212 N -4.63 -1.60 0.17 1.67 0.00 -1.16 -4.98 121.76 111.23 3h2b s ALA 212 Ca -0.13 0.07 -0.33 0.00 0.00 0.00 0.00 51.96 51.57 3h2b s ALA 212 Cb 0.01 0.66 -0.16 0.00 0.00 0.00 0.00 23.12 23.64 3h2b s ALA 212 CO 0.41 -1.05 1.15 2.41 0.00 0.00 0.00 175.76 178.69 3h2b n THR 213 N -0.47 0.91 -4.02 0.00 -1.04 -1.26 -4.13 114.28 104.26 3h2b n THR 213 Ca -0.06 -0.23 -0.24 0.00 -2.04 0.00 0.00 64.05 61.48 3h2b n THR 213 Cb 0.60 -0.83 -0.06 0.00 -1.82 0.00 0.00 70.33 68.22 3h2b n THR 213 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h2b s ALA 214 N -0.21 3.69 0.02 2.41 0.00 -1.26 -4.47 121.76 121.94 3h2b s ALA 214 Ca 0.73 -2.05 0.03 0.00 0.00 0.00 0.00 51.96 50.67 3h2b s ALA 214 Cb -0.85 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 3h2b s ALA 214 CO 0.52 -0.18 -0.09 0.71 0.00 0.00 0.00 175.76 176.72 3h2b s TYR 215 N -2.58 0.82 -0.19 0.00 1.51 0.34 -4.34 117.35 112.91 3h2b s TYR 215 Ca 0.42 -0.31 -0.12 0.00 -1.01 0.00 0.00 57.07 56.05 3h2b s TYR 215 Cb 0.02 -0.50 -0.05 0.00 -0.11 0.00 0.00 41.96 41.33 3h2b s TYR 215 CO 0.23 -0.02 0.21 1.03 -1.11 0.00 0.00 175.55 175.89 3h2b s ARG 216 N -0.92 4.20 -0.21 -0.62 0.52 0.52 -4.38 118.95 118.07 3h2b s ARG 216 Ca -0.02 -0.09 -0.01 0.00 -0.52 0.00 0.00 55.73 55.10 3h2b s ARG 216 Cb -0.07 -3.44 0.02 0.00 0.52 0.00 0.00 34.95 31.98 3h2b s ARG 216 CO 0.00 0.23 -0.12 -1.58 0.02 0.00 0.00 175.30 173.85 3h2b s TRP 217 N 0.54 2.92 0.61 -0.53 0.52 0.11 -2.66 118.94 120.45 3h2b s TRP 217 Ca 0.12 -1.45 -0.17 0.00 0.02 0.00 0.00 56.10 54.61 3h2b s TRP 217 Cb -0.12 -2.01 -0.02 0.00 -1.15 0.00 0.00 33.47 30.17 3h2b s TRP 217 CO 0.01 -0.72 1.12 -2.14 0.02 0.00 0.00 176.95 175.25 3h2b s PRO 218 N 1.34 3.01 0.19 4.98 0.02 -1.26 -4.00 135.00 139.29 3h2b s PRO 218 Ca 0.03 1.50 -0.12 0.00 0.02 0.00 0.00 61.00 62.44 3h2b s PRO 218 Cb -0.14 -1.97 0.22 0.00 0.02 0.00 0.00 34.50 32.63 3h2b s PRO 218 CO -0.08 -1.11 1.72 1.25 -0.33 0.00 0.00 177.00 178.46 3h2b h LEU 219 N 0.51 0.06 -0.11 -5.54 5.85 -1.98 -1.73 115.31 112.37 3h2b h LEU 219 Ca -0.48 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.37 3h2b h LEU 219 Cb 1.26 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.33 3h2b h LEU 219 CO 0.55 0.05 -0.27 -0.65 -0.34 0.00 0.00 178.44 177.78 3h2b h PRO 220 N 0.28 -0.34 -0.40 5.25 0.11 -1.97 0.27 132.00 135.19 3h2b h PRO 220 Ca 0.27 0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.41 3h2b h PRO 220 Cb 0.35 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 3h2b h PRO 220 CO -0.33 -0.23 0.26 0.93 -0.21 0.00 0.00 178.00 178.42 3h2b h GLU 221 N -0.36 0.51 -0.26 1.05 3.07 -1.89 -1.56 114.58 115.14 3h2b h GLU 221 Ca 0.09 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.85 3h2b h GLU 221 Cb 0.50 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 3h2b h GLU 221 CO -0.31 0.33 -0.13 1.25 -1.40 0.00 0.00 179.01 178.75 3h2b h LEU 222 N 0.52 0.56 -0.60 1.33 5.85 -1.03 -2.05 115.31 119.88 3h2b h LEU 222 Ca 0.15 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.48 3h2b h LEU 222 Cb -0.04 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 3h2b h LEU 222 CO -0.05 0.85 0.38 0.00 -0.34 0.00 0.00 178.44 179.28 3h2b h ALA 223 N 0.73 0.78 -0.55 1.25 0.00 -0.41 -0.97 119.26 120.08 3h2b h ALA 223 Ca 0.06 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3h2b h ALA 223 Cb 0.64 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3h2b h ALA 223 CO 0.04 0.14 0.11 0.37 0.00 0.00 0.00 179.25 179.91 3h2b h GLN 224 N 0.76 0.86 -0.45 0.00 5.75 -1.24 -0.77 115.11 120.02 3h2b h GLN 224 Ca 0.24 -0.19 -0.10 0.00 -0.15 0.00 0.00 58.65 58.45 3h2b h GLN 224 Cb -0.01 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 3h2b h GLN 224 CO -0.08 0.79 -0.11 0.00 -2.65 0.00 0.00 178.83 176.77 3h2b h ALA 225 N 1.30 0.96 -0.34 3.38 0.00 -0.72 -1.54 119.26 122.29 3h2b h ALA 225 Ca 0.18 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3h2b h ALA 225 Cb 0.33 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3h2b h ALA 225 CO 0.00 0.61 -0.06 -0.07 0.00 0.00 0.00 179.25 179.73 3h2b h LEU 226 N 0.74 0.65 -1.06 0.00 3.38 -0.79 -1.76 115.31 116.46 3h2b h LEU 226 Ca 0.12 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 3h2b h LEU 226 Cb 0.61 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3h2b h LEU 226 CO 0.04 0.85 0.11 -0.33 0.09 0.00 0.00 178.44 179.20 3h2b h GLU 227 N 0.44 0.79 -0.14 1.13 5.08 -0.83 0.32 114.58 121.37 3h2b h GLU 227 Ca 0.09 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 3h2b h GLU 227 Cb 0.55 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3h2b h GLU 227 CO 0.03 0.72 -0.33 1.15 -1.00 0.00 0.00 179.01 179.58 3h2b h THR 228 N 0.76 1.27 -0.00 1.13 2.02 -1.16 -2.38 112.91 114.55 3h2b h THR 228 Ca 0.17 -1.32 0.00 0.00 0.77 0.00 0.00 66.41 66.03 3h2b h THR 228 Cb 0.30 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 3h2b h THR 228 CO 0.00 0.40 -0.00 0.00 0.37 0.00 0.00 175.52 176.29 3h2b n ALA 229 N -2.48 2.52 -0.27 6.16 0.00 -0.64 -4.88 120.51 120.93 3h2b n ALA 229 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3h2b n ALA 229 Cb 0.42 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.38 3h2b n ALA 229 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2b n GLY 230 N 1.24 1.09 3.43 0.00 0.00 -0.74 -4.67 105.19 105.54 3h2b n GLY 230 Ca 0.16 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 3h2b n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h2b s PHE 231 N -2.00 2.53 -0.16 1.61 0.08 0.10 -0.18 117.98 119.96 3h2b s PHE 231 Ca 0.00 -0.28 0.01 0.00 0.12 0.00 0.00 56.93 56.78 3h2b s PHE 231 Cb 0.00 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 40.97 3h2b s PHE 231 CO 0.00 0.20 -0.17 -0.65 -0.10 0.00 0.00 175.22 174.49 3h2b s GLN 232 N -1.22 3.14 -0.09 0.44 -0.21 -0.56 -2.48 119.66 118.68 3h2b s GLN 232 Ca 0.13 -0.79 -0.30 0.00 0.02 0.00 0.00 55.36 54.43 3h2b s GLN 232 Cb -0.10 -2.58 -0.03 0.00 1.00 0.00 0.00 33.01 31.30 3h2b s GLN 232 CO 0.03 -0.03 1.32 0.08 -2.12 0.00 0.00 175.29 174.57 3h2b s VAL 233 N 0.90 4.08 -0.10 1.09 1.01 -1.26 -0.38 120.40 125.74 3h2b s VAL 233 Ca -0.04 1.37 0.20 0.00 0.00 0.00 0.00 61.98 63.51 3h2b s VAL 233 Cb -0.15 -3.88 -0.29 0.00 0.00 0.00 0.00 36.38 32.06 3h2b s VAL 233 CO -0.02 -0.07 0.39 0.35 0.00 0.00 0.00 175.10 175.75 3h2b n THR 234 N 5.04 0.53 -3.48 3.92 -2.24 -0.58 -4.95 114.28 112.52 3h2b n THR 234 Ca 0.13 -0.63 -0.13 0.00 -2.27 0.00 0.00 64.05 61.16 3h2b n THR 234 Cb 0.45 -0.20 -0.04 0.00 -2.10 0.00 0.00 70.33 68.44 3h2b n THR 234 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h2b s SER 235 N -4.93 -0.54 0.02 3.42 1.04 -1.14 -4.99 113.70 106.58 3h2b s SER 235 Ca -0.08 0.27 -0.21 0.00 0.48 0.00 0.00 55.95 56.41 3h2b s SER 235 Cb 0.11 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.78 3h2b s SER 235 CO 0.87 -0.72 0.47 -0.94 0.98 0.00 0.00 173.24 173.90 3h2b s SER 236 N -2.03 -0.38 -0.07 7.02 1.04 -1.26 -1.34 113.70 116.67 3h2b s SER 236 Ca -0.02 0.19 -0.10 0.00 0.48 0.00 0.00 55.95 56.50 3h2b s SER 236 Cb -0.01 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.58 3h2b s SER 236 CO -0.04 -0.63 0.26 -1.00 0.98 0.00 0.00 173.24 172.82 3h2b s HIS 237 N -2.04 -0.23 -0.29 5.02 3.76 -0.61 -5.00 115.29 115.90 3h2b s HIS 237 Ca -0.08 0.53 -0.18 0.00 -0.15 0.00 0.00 55.06 55.18 3h2b s HIS 237 Cb -0.01 0.08 0.14 0.00 1.11 0.00 0.00 32.58 33.89 3h2b s HIS 237 CO 0.01 -0.21 0.97 -0.46 -0.85 0.00 0.00 174.74 174.20 3h2b s TRP 238 N -0.35 -0.58 -0.38 1.40 -0.00 -1.26 -2.48 118.94 115.28 3h2b s TRP 238 Ca -0.05 1.22 -0.12 0.00 -0.00 0.00 0.00 56.10 57.15 3h2b s TRP 238 Cb -0.03 0.37 0.03 0.00 -0.00 0.00 0.00 33.47 33.83 3h2b s TRP 238 CO 0.01 -0.29 0.23 0.34 -0.00 0.00 0.00 176.95 177.25 3h2b s ASP 239 N 1.10 5.83 0.46 5.86 3.68 -1.26 -4.96 116.67 127.37 3h2b s ASP 239 Ca -0.06 -0.98 0.14 0.00 2.13 0.00 0.00 52.55 53.78 3h2b s ASP 239 Cb -0.04 -2.06 0.78 0.00 -1.45 0.00 0.00 42.92 40.15 3h2b s ASP 239 CO -0.13 -0.40 1.36 1.55 0.13 0.00 0.00 175.17 177.67 3h2b h PRO 240 N 8.48 0.00 -0.03 4.34 0.13 -1.99 0.08 132.00 143.01 3h2b h PRO 240 Ca -0.26 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.68 3h2b h PRO 240 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3h2b h PRO 240 CO 0.68 0.00 -0.82 0.00 -0.23 0.00 0.00 178.00 177.64 3h2b h ARG 241 N 0.00 0.34 -6.52 0.86 -0.00 -1.99 -3.46 114.38 103.61 3h2b h ARG 241 Ca 0.00 -0.32 -0.64 0.00 -0.50 0.00 0.00 59.98 58.52 3h2b h ARG 241 Cb 0.93 0.08 -0.19 0.00 0.00 0.00 0.00 29.97 30.79 3h2b h ARG 241 CO 0.00 0.99 -0.82 -0.06 0.00 0.00 0.00 179.97 180.08 3h2b s PHE 242 N -3.42 2.22 0.26 3.04 0.08 0.02 -5.05 117.98 115.13 3h2b s PHE 242 Ca -0.05 -0.38 0.11 0.00 0.12 0.00 0.00 56.93 56.74 3h2b s PHE 242 Cb 0.10 -1.11 0.39 0.00 -0.57 0.00 0.00 43.02 41.83 3h2b s PHE 242 CO 0.84 0.46 1.63 -1.00 -0.10 0.00 0.00 175.22 177.04 3h2b h PRO 243 N 3.28 0.00 -6.43 0.24 0.13 -1.82 -3.41 132.00 123.99 3h2b h PRO 243 Ca -0.46 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.05 3h2b h PRO 243 Cb 1.20 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.40 3h2b h PRO 243 CO 0.47 0.59 0.61 0.72 -0.23 0.00 0.00 178.00 180.16 3h2b n HIS 244 N -3.79 1.92 -3.94 1.56 8.25 -1.26 -0.23 115.22 117.73 3h2b n HIS 244 Ca -0.01 0.45 -0.09 0.00 -0.26 0.00 0.00 57.72 57.81 3h2b n HIS 244 Cb 0.60 -2.44 -0.05 0.00 1.12 0.00 0.00 29.99 29.22 3h2b n HIS 244 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h2b s ALA 245 N 0.50 -0.34 0.18 -1.41 0.00 0.54 -4.38 121.76 116.85 3h2b s ALA 245 Ca 0.78 -0.75 -0.23 0.00 0.00 0.00 0.00 51.96 51.77 3h2b s ALA 245 Cb -0.78 0.99 0.06 0.00 0.00 0.00 0.00 23.12 23.39 3h2b s ALA 245 CO 0.44 -0.81 0.64 1.52 0.00 0.00 0.00 175.76 177.56 3h2b s TYR 246 N -3.98 -0.45 0.06 0.00 1.13 -1.03 -0.65 117.35 112.42 3h2b s TYR 246 Ca 0.19 0.18 -0.26 0.00 -1.41 0.00 0.00 57.07 55.76 3h2b s TYR 246 Cb -0.00 0.60 0.08 0.00 -1.10 0.00 0.00 41.96 41.54 3h2b s TYR 246 CO 0.05 -0.93 0.73 -0.48 -2.51 0.00 0.00 175.55 172.41 3h2b s LEU 247 N -2.78 -0.50 0.14 -3.49 0.05 -1.26 -1.57 118.68 109.27 3h2b s LEU 247 Ca 0.04 0.12 0.09 0.00 0.05 0.00 0.00 54.13 54.43 3h2b s LEU 247 Cb -0.02 2.35 -0.04 0.00 -2.05 0.00 0.00 46.19 46.43 3h2b s LEU 247 CO -0.08 -0.77 -0.14 0.42 -0.55 0.00 0.00 176.35 175.24 3h2b s THR 248 N -3.03 3.03 0.09 5.48 -4.23 -0.45 -4.37 115.64 112.17 3h2b s THR 248 Ca 0.01 -1.56 -0.09 0.00 -1.18 0.00 0.00 61.69 58.86 3h2b s THR 248 Cb -0.01 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.39 3h2b s THR 248 CO -0.08 0.01 0.21 0.00 -0.54 0.00 0.00 174.62 174.22 3h2b s ALA 249 N -1.40 -0.29 -0.10 3.99 0.00 0.66 -1.52 121.76 123.09 3h2b s ALA 249 Ca 0.21 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 51.67 3h2b s ALA 249 Cb -0.10 0.49 -0.00 0.00 0.00 0.00 0.00 23.12 23.51 3h2b s ALA 249 CO 0.13 -0.51 -0.24 -2.00 0.00 0.00 0.00 175.76 173.14 3h2b s GLU 250 N -3.77 2.98 0.21 0.00 2.12 0.49 -0.48 118.70 120.25 3h2b s GLU 250 Ca 0.04 -0.88 -0.31 0.00 0.36 0.00 0.00 54.97 54.18 3h2b s GLU 250 Cb 0.04 -2.27 -0.11 0.00 0.26 0.00 0.00 34.13 32.05 3h2b s GLU 250 CO -0.11 0.20 1.62 0.00 -0.54 0.00 0.00 175.26 176.43 3h2b s ALA 251 N 0.29 3.82 1.32 6.30 0.00 0.42 -1.49 121.76 132.42 3h2b s ALA 251 Ca -0.17 1.48 -0.20 0.00 0.00 0.00 0.00 51.96 53.06 3h2b s ALA 251 Cb -0.18 -3.65 0.33 0.00 0.00 0.00 0.00 23.12 19.62 3h2b s ALA 251 CO 0.08 -0.86 1.00 -1.12 0.00 0.00 0.00 175.76 174.86 3h2b s SER 252 N 0.99 -0.13 0.00 0.00 0.01 0.74 -0.99 113.70 114.32 3h2b s SER 252 Ca 0.70 0.87 0.19 0.00 1.31 0.00 0.00 55.95 59.03 3h2b s SER 252 Cb -0.46 -1.26 0.15 0.00 0.21 0.00 0.00 66.02 64.66 3h2b s SER 252 CO 0.35 -4.80 1.11 0.18 0.41 0.00 0.00 173.24 170.49