#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4b s PHE 46 N 0.00 3.35 -0.09 -1.42 0.40 -1.26 -4.88 117.98 114.08 1r4b s PHE 46 Ca 0.00 0.05 -0.30 0.00 -0.60 0.00 0.00 56.93 56.08 1r4b s PHE 46 Cb 0.00 -1.59 -0.02 0.00 0.51 0.00 0.00 43.02 41.92 1r4b s PHE 46 CO 0.00 0.51 1.08 0.99 0.70 0.00 0.00 175.22 178.50 1r4b s THR 47 N -1.79 4.58 -0.17 0.64 2.01 -0.18 -4.77 115.64 115.94 1r4b s THR 47 Ca 0.33 1.86 0.00 0.00 0.31 0.00 0.00 61.69 64.20 1r4b s THR 47 Cb -0.10 -4.20 0.01 0.00 0.01 0.00 0.00 72.50 68.22 1r4b s THR 47 CO 0.27 0.00 -0.17 -0.70 -0.69 0.00 0.00 174.62 173.32 1r4b s GLU 48 N 2.10 3.09 0.06 4.92 2.12 -1.26 -0.15 118.70 129.57 1r4b s GLU 48 Ca 0.51 -0.79 -0.26 0.00 0.36 0.00 0.00 54.97 54.79 1r4b s GLU 48 Cb -0.21 -2.62 -0.06 0.00 0.26 0.00 0.00 34.13 31.51 1r4b s GLU 48 CO 0.19 -0.14 0.79 -0.06 -0.54 0.00 0.00 175.26 175.51 1r4b s PHE 49 N 1.16 3.75 0.00 5.30 0.08 -1.26 -4.94 117.98 122.07 1r4b s PHE 49 Ca 0.01 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.59 1r4b s PHE 49 Cb -0.14 -2.85 0.00 0.00 -0.57 0.00 0.00 43.02 39.46 1r4b s PHE 49 CO -0.08 0.27 0.57 0.25 -0.10 0.00 0.00 175.22 176.14 1r4b n THR 50 N 2.75 0.32 -3.79 0.64 -2.24 -1.26 -4.69 114.28 106.01 1r4b n THR 50 Ca -0.02 -0.49 -0.20 0.00 -2.27 0.00 0.00 64.05 61.08 1r4b n THR 50 Cb 0.50 1.02 -0.17 0.00 -2.10 0.00 0.00 70.33 69.57 1r4b n THR 50 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1r4b s ASN 51 N -0.32 1.01 0.31 3.42 3.84 -1.26 -5.04 114.94 116.89 1r4b s ASN 51 Ca 0.00 -0.01 0.02 0.00 0.21 0.00 0.00 52.86 53.09 1r4b s ASN 51 Cb 0.00 -0.26 0.59 0.00 -0.55 0.00 0.00 41.25 41.04 1r4b s ASN 51 CO 0.00 -0.18 1.88 0.58 -2.79 0.00 0.00 177.10 176.59 1r4b h VAL 52 N 6.33 0.98 -0.43 -5.21 2.07 -1.99 -2.06 116.25 115.95 1r4b h VAL 52 Ca -0.25 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 1r4b h VAL 52 Cb 1.13 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1r4b h VAL 52 CO 0.30 0.17 0.16 -0.08 0.02 0.00 0.00 177.57 178.14 1r4b h GLU 53 N 0.95 0.65 -0.29 1.57 4.81 -1.99 -0.96 114.58 119.31 1r4b h GLU 53 Ca 0.43 -0.12 -0.13 0.00 -0.13 0.00 0.00 59.36 59.41 1r4b h GLU 53 Cb 0.38 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1r4b h GLU 53 CO -0.19 0.61 -0.35 0.93 -0.73 0.00 0.00 179.01 179.29 1r4b h GLU 54 N 0.55 0.65 -0.34 1.92 4.39 -1.89 -1.99 114.58 117.87 1r4b h GLU 54 Ca 0.14 -0.31 -0.05 0.00 0.34 0.00 0.00 59.36 59.49 1r4b h GLU 54 Cb 0.21 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1r4b h GLU 54 CO -0.01 0.90 0.02 0.00 -1.16 0.00 0.00 179.01 178.77 1r4b h ALA 55 N 1.07 0.45 -0.72 3.43 0.00 -1.08 -0.14 119.26 122.28 1r4b h ALA 55 Ca 0.06 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1r4b h ALA 55 Cb 0.85 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1r4b h ALA 55 CO 0.07 0.19 0.24 0.87 0.00 0.00 0.00 179.25 180.62 1r4b h LYS 56 N 0.40 1.10 -0.23 0.00 1.57 -1.12 0.11 116.57 118.40 1r4b h LYS 56 Ca 0.10 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1r4b h LYS 56 Cb 0.41 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1r4b h LYS 56 CO 0.01 0.94 0.15 -0.22 -0.57 0.00 0.00 179.45 179.76 1r4b h LYS 57 N 1.05 0.30 -0.03 3.15 1.63 -1.13 0.66 116.57 122.19 1r4b h LYS 57 Ca 0.23 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 60.01 1r4b h LYS 57 Cb 0.29 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1r4b h LYS 57 CO -0.01 0.20 0.01 2.35 -3.45 0.00 0.00 179.45 178.55 1r4b h TRP 58 N 0.30 0.04 0.02 1.91 7.01 -0.76 -2.17 115.95 122.31 1r4b h TRP 58 Ca 0.08 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.11 1r4b h TRP 58 Cb -0.03 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 26.98 1r4b h TRP 58 CO -0.06 0.20 -0.22 0.78 -2.79 0.00 0.00 178.44 176.34 1r4b h GLY 59 N -0.12 -0.34 0.87 2.65 0.00 -0.67 -2.36 103.07 103.10 1r4b h GLY 59 Ca 0.01 0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.64 1r4b h GLY 59 CO -0.00 -0.19 0.57 3.43 0.00 0.00 0.00 176.54 180.34 1r4b h ASN 60 N -0.36 0.95 -0.84 0.19 -0.26 -0.88 0.11 115.58 114.48 1r4b h ASN 60 Ca 0.05 -0.01 0.08 0.00 -0.56 0.00 0.00 56.30 55.86 1r4b h ASN 60 Cb 0.43 -0.21 -0.07 0.00 -1.06 0.00 0.00 38.32 37.41 1r4b h ASN 60 CO -0.19 0.65 0.50 0.00 -1.06 0.00 0.00 177.43 177.34 1r4b h ALA 61 N 1.37 1.18 0.02 -0.83 0.00 -1.09 -1.88 119.26 118.03 1r4b h ALA 61 Ca 0.35 0.01 -0.26 0.00 0.00 0.00 0.00 54.91 55.01 1r4b h ALA 61 Cb 0.01 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.63 1r4b h ALA 61 CO -0.12 0.19 -1.05 1.96 0.00 0.00 0.00 179.25 180.23 1r4b h GLN 62 N 0.88 0.62 -0.18 0.00 1.08 -0.77 -3.30 115.11 113.45 1r4b h GLN 62 Ca 0.38 -0.70 -0.03 0.00 -1.45 0.00 0.00 58.65 56.86 1r4b h GLN 62 Cb 0.26 0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 1r4b h GLN 62 CO -0.21 1.29 -0.04 -0.92 -0.95 0.00 0.00 178.83 178.00 1r4b h TYR 63 N 0.34 0.26 0.00 2.96 5.03 -0.41 -1.08 116.97 124.08 1r4b h TYR 63 Ca -0.13 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.15 1r4b h TYR 63 Cb 1.71 -0.08 -0.00 0.00 1.55 0.00 0.00 36.73 39.91 1r4b h TYR 63 CO 0.09 0.31 -0.07 0.87 -1.32 0.00 0.00 178.16 178.05 1r4b h LYS 64 N 0.26 0.00 0.00 1.82 1.57 -1.43 -2.69 116.57 116.09 1r4b h LYS 64 Ca 0.06 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1r4b h LYS 64 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1r4b h LYS 64 CO 0.01 0.07 -0.61 0.87 -0.57 0.00 0.00 179.45 179.22 1r4b h LYS 65 N 0.00 0.00 -0.42 3.15 6.56 -1.32 -3.38 116.57 121.15 1r4b h LYS 65 Ca -0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1r4b h LYS 65 Cb 0.17 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.81 1r4b h LYS 65 CO 0.01 0.23 0.25 1.88 -2.06 0.00 0.00 179.45 179.76 1r4b h TYR 66 N 0.00 0.57 -4.94 -1.35 0.05 -1.45 -3.47 116.97 106.38 1r4b h TYR 66 Ca -0.03 -0.01 -0.30 0.00 0.05 0.00 0.00 58.73 58.45 1r4b h TYR 66 Cb 1.24 -0.18 0.13 0.00 1.01 0.00 0.00 36.73 38.92 1r4b h TYR 66 CO 0.00 0.41 -0.59 0.41 -1.05 0.00 0.00 178.16 177.35 1r4b n GLY 67 N -1.06 -0.24 3.75 3.88 0.00 -1.26 -4.89 105.19 105.38 1r4b n GLY 67 Ca 0.01 0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1r4b n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r4b s LEU 68 N -5.83 3.90 0.65 0.99 1.43 -1.26 -5.00 118.68 113.56 1r4b s LEU 68 Ca 0.24 2.78 -0.07 0.00 -1.03 0.00 0.00 54.13 56.05 1r4b s LEU 68 Cb -0.11 -4.21 0.03 0.00 0.03 0.00 0.00 46.19 41.93 1r4b s LEU 68 CO 0.59 -1.48 0.97 -0.94 0.23 0.00 0.00 176.35 175.72 1r4b s SER 69 N -0.88 5.30 0.18 2.29 1.04 -1.26 -4.86 113.70 115.50 1r4b s SER 69 Ca 0.69 0.70 -0.13 0.00 0.48 0.00 0.00 55.95 57.70 1r4b s SER 69 Cb -0.41 -1.54 0.14 0.00 0.10 0.00 0.00 66.02 64.31 1r4b s SER 69 CO 0.49 -1.30 1.78 0.50 0.98 0.00 0.00 173.24 175.70 1r4b h LYS 70 N -0.41 0.48 -0.62 4.02 3.64 -1.99 -0.37 116.57 121.32 1r4b h LYS 70 Ca -0.45 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 58.82 1r4b h LYS 70 Cb 1.28 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 1r4b h LYS 70 CO 0.61 0.32 0.09 -1.35 -2.27 0.00 0.00 179.45 176.85 1r4b h PRO 71 N 0.50 1.02 -0.06 1.90 0.11 -1.99 -0.53 132.00 132.95 1r4b h PRO 71 Ca 0.23 -0.27 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1r4b h PRO 71 Cb 0.14 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.12 1r4b h PRO 71 CO -0.16 0.95 0.02 0.93 -0.21 0.00 0.00 178.00 179.53 1r4b h GLU 72 N 0.96 0.09 -0.64 1.05 5.08 -1.80 -1.94 114.58 117.38 1r4b h GLU 72 Ca 0.19 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.60 1r4b h GLU 72 Cb 0.43 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 1r4b h GLU 72 CO 0.01 0.26 0.32 1.96 -1.00 0.00 0.00 179.01 180.57 1r4b h GLN 73 N -0.09 0.56 0.00 2.33 4.20 -0.94 -0.63 115.11 120.53 1r4b h GLN 73 Ca 0.02 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 1r4b h GLN 73 Cb 0.21 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1r4b h GLN 73 CO -0.00 0.37 -0.27 0.93 -0.67 0.00 0.00 178.83 179.19 1r4b h GLU 74 N 0.58 0.00 -0.15 1.46 5.08 -1.00 -0.33 114.58 120.22 1r4b h GLU 74 Ca 0.30 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.51 1r4b h GLU 74 Cb 0.27 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.52 1r4b h GLU 74 CO -0.23 0.27 -0.52 0.00 -1.00 0.00 0.00 179.01 177.54 1r4b h ALA 75 N 1.73 0.26 -0.18 3.43 0.00 -0.45 -2.58 119.26 121.46 1r4b h ALA 75 Ca -0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 1r4b h ALA 75 Cb 0.51 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1r4b h ALA 75 CO 0.04 0.45 -0.00 0.82 0.00 0.00 0.00 179.25 180.55 1r4b h ILE 76 N 0.26 1.25 -0.57 0.00 2.04 -0.87 -1.87 117.51 117.75 1r4b h ILE 76 Ca -0.02 -0.86 0.11 0.00 1.00 0.00 0.00 64.86 65.09 1r4b h ILE 76 Cb 1.15 1.47 -0.09 0.00 -0.74 0.00 0.00 36.82 38.61 1r4b h ILE 76 CO 0.11 0.26 0.07 0.50 0.00 0.00 0.00 178.15 179.08 1r4b h LYS 77 N 0.07 0.18 -0.73 2.37 3.64 -1.12 0.64 116.57 121.62 1r4b h LYS 77 Ca 0.05 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.49 1r4b h LYS 77 Cb 0.39 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.10 1r4b h LYS 77 CO 0.01 0.12 0.40 0.35 -2.27 0.00 0.00 179.45 178.06 1r4b h PHE 78 N 0.19 0.73 -0.01 1.91 3.57 -1.31 -1.52 116.94 120.51 1r4b h PHE 78 Ca 0.29 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.83 1r4b h PHE 78 Cb 0.45 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1r4b h PHE 78 CO -0.29 0.32 -0.06 -0.92 -2.23 0.00 0.00 178.31 175.14 1r4b h TYR 79 N 0.71 -0.15 0.00 0.41 3.20 -0.20 -2.74 116.97 118.20 1r4b h TYR 79 Ca 0.34 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.20 1r4b h TYR 79 Cb 0.26 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 1r4b h TYR 79 CO -0.08 -0.10 -0.05 1.79 -1.64 0.00 0.00 178.16 178.09 1r4b h THR 80 N -0.10 0.53 -0.43 1.81 1.35 -0.01 -2.16 112.91 113.90 1r4b h THR 80 Ca 0.03 -0.22 -0.07 0.00 -0.55 0.00 0.00 66.41 65.60 1r4b h THR 80 Cb 0.14 1.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.68 1r4b h THR 80 CO -0.07 0.05 -0.02 -0.09 -0.25 0.00 0.00 175.52 175.14 1r4b h ARG 81 N 0.00 0.70 -0.80 4.72 2.43 -1.00 -3.41 114.38 117.02 1r4b h ARG 81 Ca -0.00 -0.18 0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1r4b h ARG 81 Cb 0.14 -0.08 -0.20 0.00 -0.42 0.00 0.00 29.97 29.40 1r4b h ARG 81 CO 0.01 0.73 -0.30 0.34 -1.51 0.00 0.00 179.97 179.24 1r4b s ASP 82 N -6.68 -1.29 0.37 -3.80 -1.08 -0.98 -5.04 116.67 98.17 1r4b s ASP 82 Ca -0.09 -0.04 0.10 0.00 -0.52 0.00 0.00 52.55 52.01 1r4b s ASP 82 Cb 0.15 1.77 0.73 0.00 -1.46 0.00 0.00 42.92 44.10 1r4b s ASP 82 CO 0.80 -0.21 1.86 0.00 0.52 0.00 0.00 175.17 178.13 1r4b h ALA 83 N 7.50 1.42 0.00 3.66 0.00 -1.64 -2.85 119.26 127.35 1r4b h ALA 83 Ca -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1r4b h ALA 83 Cb 1.19 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1r4b h ALA 83 CO 0.08 0.41 -0.05 0.66 0.00 0.00 0.00 179.25 180.35 1r4b h SER 84 N 0.14 0.00 0.55 0.00 4.64 -1.96 0.14 113.55 117.06 1r4b h SER 84 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1r4b h SER 84 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1r4b h SER 84 CO 0.04 0.05 0.00 0.29 -0.87 0.00 0.00 176.83 176.33 1r4b n LYS 85 N -3.90 0.16 -0.06 4.77 4.76 -1.08 -0.03 118.16 122.78 1r4b n LYS 85 Ca -0.03 0.44 -0.11 0.00 -2.87 0.00 0.00 58.31 55.74 1r4b n LYS 85 Cb 0.13 -1.83 -0.05 0.00 -1.84 0.00 0.00 35.03 31.45 1r4b n LYS 85 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1r4b n ILE 86 N -2.13 0.65 0.18 -0.18 5.41 0.23 -4.65 119.36 118.88 1r4b n ILE 86 Ca 0.02 -0.19 0.04 0.00 1.00 0.00 0.00 62.75 63.61 1r4b n ILE 86 Cb 0.18 -1.42 0.34 0.00 -0.71 0.00 0.00 39.64 38.03 1r4b n ILE 86 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1r4b h ASN 87 N -0.29 0.00 0.62 4.38 2.35 -0.88 -2.79 115.58 118.97 1r4b h ASN 87 Ca -0.29 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.44 1r4b h ASN 87 Cb 1.31 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.67 1r4b h ASN 87 CO -0.14 0.41 -0.38 1.23 -1.65 0.00 0.00 177.43 176.90 1r4b h GLY 88 N 1.71 -1.11 1.01 2.83 0.00 -0.66 -1.37 103.07 105.49 1r4b h GLY 88 Ca -0.00 0.45 0.03 0.00 0.00 0.00 0.00 47.33 47.81 1r4b h GLY 88 CO 0.05 -0.38 0.58 -2.55 0.00 0.00 0.00 176.54 174.25 1r4b h PRO 89 N -0.93 1.07 -0.27 4.80 0.11 -1.75 -2.22 132.00 132.81 1r4b h PRO 89 Ca -0.08 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.96 1r4b h PRO 89 Cb 0.75 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 1r4b h PRO 89 CO 0.08 0.71 0.16 -0.07 -0.21 0.00 0.00 178.00 178.67 1r4b h LEU 90 N 1.11 0.32 -1.19 2.35 3.38 -1.37 -1.48 115.31 118.43 1r4b h LEU 90 Ca 0.35 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.21 1r4b h LEU 90 Cb 0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1r4b h LEU 90 CO -0.10 0.27 -0.30 0.03 0.09 0.00 0.00 178.44 178.43 1r4b h ARG 91 N 0.34 0.00 -0.13 1.13 3.08 -1.08 0.30 114.38 118.01 1r4b h ARG 91 Ca 0.10 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 1r4b h ARG 91 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1r4b h ARG 91 CO -0.02 0.30 -0.44 0.00 -1.07 0.00 0.00 179.97 178.74 1r4b h ALA 92 N 1.70 0.22 -0.03 0.04 0.00 -0.98 -3.11 119.26 117.10 1r4b h ALA 92 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1r4b h ALA 92 Cb 0.74 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1r4b h ALA 92 CO 0.04 0.36 0.00 0.09 0.00 0.00 0.00 179.25 179.74 1r4b n ASN 93 N -4.27 0.32 -3.76 0.00 3.02 -0.60 -4.85 115.26 105.14 1r4b n ASN 93 Ca -0.07 -2.01 -0.29 0.00 -0.03 0.00 0.00 54.58 52.18 1r4b n ASN 93 Cb 0.56 -0.09 0.01 0.00 -0.61 0.00 0.00 39.78 39.65 1r4b n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r4b n GLN 94 N -0.34 -4.45 -0.91 3.52 1.13 -1.14 -0.89 117.38 114.30 1r4b n GLN 94 Ca 0.01 0.54 0.00 0.00 -1.94 0.00 0.00 57.00 55.61 1r4b n GLN 94 Cb 0.06 -5.35 0.00 0.00 0.11 0.00 0.00 30.24 25.06 1r4b n GLN 94 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1r4b n GLY 95 N -1.48 0.60 3.49 1.08 0.00 0.10 -4.99 105.19 104.00 1r4b n GLY 95 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1r4b n GLY 95 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1r4b s ASN 96 N -2.13 6.30 0.53 1.61 2.47 -0.07 -4.87 114.94 118.78 1r4b s ASN 96 Ca 0.00 -1.13 0.28 0.00 0.42 0.00 0.00 52.86 52.43 1r4b s ASN 96 Cb 0.00 -2.47 1.48 0.00 -1.45 0.00 0.00 41.25 38.82 1r4b s ASN 96 CO 0.00 -1.47 2.08 1.05 -3.72 0.00 0.00 177.10 175.04 1r4b h GLU 97 N 9.57 0.00 0.00 0.43 9.09 -1.94 -2.18 114.58 129.55 1r4b h GLU 97 Ca -0.13 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.28 1r4b h GLU 97 Cb 1.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.15 1r4b h GLU 97 CO 1.23 0.11 0.15 -0.91 0.05 0.00 0.00 179.01 179.64 1r4b h ASN 98 N 0.00 0.00 -0.36 3.06 -0.26 -1.97 0.24 115.58 116.29 1r4b h ASN 98 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1r4b h ASN 98 Cb 0.33 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 1r4b h ASN 98 CO 0.01 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.99 1r4b n GLY 99 N -1.20 3.53 3.89 2.83 0.00 -0.82 -4.98 105.19 108.44 1r4b n GLY 99 Ca -0.02 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 1r4b n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r4b s LEU 100 N -2.36 4.26 0.84 0.99 1.43 0.07 -5.00 118.68 118.91 1r4b s LEU 100 Ca 0.41 0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 53.63 1r4b s LEU 100 Cb 0.31 -2.78 0.10 0.00 0.03 0.00 0.00 46.19 43.84 1r4b s LEU 100 CO 0.13 0.20 1.16 -2.65 0.23 0.00 0.00 176.35 175.41 1r4b n PRO 101 N 0.51 0.02 0.13 1.29 -0.02 -1.26 -4.70 135.00 130.97 1r4b n PRO 101 Ca -0.07 0.08 -0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1r4b n PRO 101 Cb 0.52 -2.40 0.28 0.00 -0.02 0.00 0.00 33.50 31.87 1r4b n PRO 101 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r4b h ALA 102 N -1.15 1.22 -0.20 3.55 0.00 -1.97 0.55 119.26 121.25 1r4b h ALA 102 Ca -0.45 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 53.98 1r4b h ALA 102 Cb 1.29 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1r4b h ALA 102 CO 0.44 0.54 -0.22 0.38 0.00 0.00 0.00 179.25 180.40 1r4b h ASP 103 N 0.12 0.54 -0.31 0.00 2.03 -2.00 -0.85 116.42 115.96 1r4b h ASP 103 Ca 0.01 -0.48 -0.08 0.00 -0.73 0.00 0.00 57.03 55.75 1r4b h ASP 103 Cb 0.75 -0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 39.09 1r4b h ASP 103 CO 0.06 0.92 -0.11 0.40 -1.03 0.00 0.00 179.24 179.47 1r4b h ILE 104 N 0.18 1.29 -0.74 4.15 1.08 -1.88 -3.20 117.51 118.38 1r4b h ILE 104 Ca 0.03 -1.19 0.06 0.00 -0.39 0.00 0.00 64.86 63.37 1r4b h ILE 104 Cb 0.77 1.41 -0.06 0.00 -3.07 0.00 0.00 36.82 35.87 1r4b h ILE 104 CO 0.05 0.38 0.43 0.25 -0.69 0.00 0.00 178.15 178.58 1r4b h LEU 105 N 0.39 0.65 -0.61 1.44 5.85 0.11 -1.84 115.31 121.30 1r4b h LEU 105 Ca 0.07 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1r4b h LEU 105 Cb 0.62 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1r4b h LEU 105 CO 0.04 0.42 0.31 -0.61 -0.34 0.00 0.00 178.44 178.26 1r4b h GLN 106 N 0.79 0.87 -0.26 1.25 5.75 -1.15 -2.04 115.11 120.32 1r4b h GLN 106 Ca 0.33 -0.12 -0.08 0.00 -0.15 0.00 0.00 58.65 58.64 1r4b h GLN 106 Cb 0.20 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1r4b h GLN 106 CO -0.18 0.69 -0.14 0.87 -2.65 0.00 0.00 178.83 177.41 1r4b h LYS 107 N 0.84 0.56 -0.80 1.69 1.79 -1.51 -2.89 116.57 116.26 1r4b h LYS 107 Ca 0.21 -0.25 0.15 0.00 -2.18 0.00 0.00 60.65 58.58 1r4b h LYS 107 Cb 0.09 -0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 30.63 1r4b h LYS 107 CO -0.03 0.82 0.36 0.28 -1.08 0.00 0.00 179.45 179.80 1r4b h VAL 108 N 0.29 0.68 -0.10 0.50 2.07 -1.17 0.21 116.25 118.73 1r4b h VAL 108 Ca 0.06 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.30 1r4b h VAL 108 Cb 0.66 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1r4b h VAL 108 CO 0.04 0.09 -0.37 0.11 0.02 0.00 0.00 177.57 177.46 1r4b h LYS 109 N 0.52 0.22 -0.17 1.57 1.79 -1.32 -0.51 116.57 118.67 1r4b h LYS 109 Ca 0.44 -0.09 -0.15 0.00 -2.18 0.00 0.00 60.65 58.66 1r4b h LYS 109 Cb 0.65 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1r4b h LYS 109 CO -0.39 0.56 -0.50 -0.07 -1.08 0.00 0.00 179.45 177.98 1r4b h LEU 110 N 0.19 0.72 0.13 2.94 3.38 -0.80 -1.81 115.31 120.06 1r4b h LEU 110 Ca 0.02 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 1r4b h LEU 110 Cb 0.75 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1r4b h LEU 110 CO 0.06 1.19 -0.06 0.40 0.09 0.00 0.00 178.44 180.11 1r4b h ILE 111 N 0.30 0.90 -0.65 1.22 2.04 -0.53 -1.24 117.51 119.55 1r4b h ILE 111 Ca -0.01 -0.09 0.13 0.00 1.00 0.00 0.00 64.86 65.88 1r4b h ILE 111 Cb 1.12 0.96 -0.12 0.00 -0.74 0.00 0.00 36.82 38.03 1r4b h ILE 111 CO 0.11 0.02 -0.18 0.44 0.00 0.00 0.00 178.15 178.54 1r4b h ASP 112 N -0.22 -0.66 -0.73 1.72 3.32 -1.11 -1.14 116.42 117.61 1r4b h ASP 112 Ca -0.02 0.20 0.06 0.00 0.02 0.00 0.00 57.03 57.29 1r4b h ASP 112 Cb 0.17 0.42 -0.06 0.00 0.22 0.00 0.00 39.33 40.09 1r4b h ASP 112 CO 0.03 -0.23 0.42 1.56 -1.72 0.00 0.00 179.24 179.31 1r4b h GLN 113 N -0.02 0.75 -0.44 3.56 4.20 -1.02 -2.18 115.11 119.96 1r4b h GLN 113 Ca 0.31 -0.05 0.13 0.00 0.06 0.00 0.00 58.65 59.10 1r4b h GLN 113 Cb 0.49 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1r4b h GLN 113 CO -0.68 0.50 0.34 0.66 -0.67 0.00 0.00 178.83 178.98 1r4b h SER 114 N 0.78 0.00 0.63 1.46 4.64 0.02 -0.90 113.55 120.17 1r4b h SER 114 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1r4b h SER 114 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1r4b h SER 114 CO -0.18 0.00 0.00 -0.26 -0.87 0.00 0.00 176.83 175.52 1r4b h PHE 115 N 0.00 0.00 -0.14 4.77 0.04 -1.31 -1.25 116.94 119.04 1r4b h PHE 115 Ca 0.21 0.00 0.04 0.00 2.80 0.00 0.00 57.97 61.02 1r4b h PHE 115 Cb 0.90 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.04 1r4b h PHE 115 CO 0.00 0.00 0.14 0.77 -0.60 0.00 0.00 178.31 178.62 1r4b h SER 116 N 0.00 0.00 0.03 2.17 0.02 -1.32 -2.69 113.55 111.75 1r4b h SER 116 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1r4b h SER 116 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1r4b h SER 116 CO 0.00 0.00 -1.32 0.29 -1.14 0.00 0.00 176.83 174.66 1r4b n LYS 117 N -3.93 0.23 -4.05 3.45 5.02 -0.48 -4.91 118.16 113.49 1r4b n LYS 117 Ca 0.00 -0.07 -0.32 0.00 -2.02 0.00 0.00 58.31 55.91 1r4b n LYS 117 Cb 0.26 -1.51 -0.15 0.00 -0.02 0.00 0.00 35.03 33.60 1r4b n LYS 117 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1r4b s MET 118 N -3.18 2.28 0.04 1.97 -1.94 -1.02 -4.65 119.30 112.80 1r4b s MET 118 Ca 0.03 -1.12 0.02 0.00 -1.71 0.00 0.00 55.69 52.91 1r4b s MET 118 Cb 0.15 -2.71 -0.02 0.00 2.01 0.00 0.00 34.83 34.26 1r4b s MET 118 CO 0.88 -0.48 -0.07 0.15 -0.01 0.00 0.00 175.02 175.49 1r4b s LYS 119 N 1.22 0.52 0.21 2.03 -0.14 -1.17 -1.78 119.74 120.63 1r4b s LYS 119 Ca -0.05 -0.78 -0.30 0.00 -1.36 0.00 0.00 55.97 53.49 1r4b s LYS 119 Cb -0.18 -0.23 -0.09 0.00 -1.68 0.00 0.00 37.83 35.65 1r4b s LYS 119 CO -0.07 0.03 1.37 -1.64 -0.76 0.00 0.00 175.35 174.28 1r4b s MET 120 N -1.72 4.34 0.00 1.68 -1.94 0.51 -4.79 119.30 117.37 1r4b s MET 120 Ca -0.09 2.15 0.28 0.00 -1.71 0.00 0.00 55.69 56.31 1r4b s MET 120 Cb -0.09 -3.17 0.97 0.00 2.01 0.00 0.00 34.83 34.56 1r4b s MET 120 CO -0.00 -0.34 1.70 -0.35 -0.01 0.00 0.00 175.02 176.02 1r4b n PRO 121 N 2.65 1.25 -3.62 2.03 -0.04 -1.26 -1.31 135.00 134.70 1r4b n PRO 121 Ca 0.07 -0.70 -0.06 0.00 -0.04 0.00 0.00 63.50 62.77 1r4b n PRO 121 Cb 0.42 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.37 1r4b n PRO 121 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1r4b s GLN 122 N -2.23 0.97 0.14 0.54 -2.07 -1.26 -4.91 119.66 110.84 1r4b s GLN 122 Ca 0.32 -0.46 -0.31 0.00 -1.82 0.00 0.00 55.36 53.09 1r4b s GLN 122 Cb 0.20 0.38 -0.09 0.00 -1.09 0.00 0.00 33.01 32.41 1r4b s GLN 122 CO 0.42 -0.44 1.51 -0.80 -1.32 0.00 0.00 175.29 174.66 1r4b s ASN 123 N -2.71 6.67 0.01 12.60 0.01 -1.26 -3.51 114.94 126.75 1r4b s ASN 123 Ca 0.09 2.50 -0.08 0.00 -0.71 0.00 0.00 52.86 54.66 1r4b s ASN 123 Cb -0.01 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.06 1r4b s ASN 123 CO -0.04 -0.77 0.15 -0.51 -1.51 0.00 0.00 177.10 174.42 1r4b s ILE 124 N 1.27 0.09 -0.15 0.60 2.07 -0.41 -1.01 121.20 123.65 1r4b s ILE 124 Ca 0.68 -0.71 -0.09 0.00 -1.41 0.00 0.00 60.65 59.13 1r4b s ILE 124 Cb -0.41 -0.50 -0.04 0.00 0.13 0.00 0.00 42.46 41.64 1r4b s ILE 124 CO 0.31 -0.39 0.15 -0.63 -1.91 0.00 0.00 174.94 172.47 1r4b s ILE 125 N -1.51 5.45 0.15 2.00 1.01 0.78 -0.76 121.20 128.32 1r4b s ILE 125 Ca -0.14 0.24 0.06 0.00 0.00 0.00 0.00 60.65 60.81 1r4b s ILE 125 Cb -0.07 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1r4b s ILE 125 CO 0.01 0.54 -0.14 -0.76 0.00 0.00 0.00 174.94 174.59 1r4b s LEU 126 N -0.40 2.47 0.09 2.97 1.43 -0.12 -4.79 118.68 120.32 1r4b s LEU 126 Ca 0.12 -0.90 0.05 0.00 -1.03 0.00 0.00 54.13 52.38 1r4b s LEU 126 Cb -0.12 -0.59 -0.03 0.00 0.03 0.00 0.00 46.19 45.48 1r4b s LEU 126 CO 0.02 -0.17 -0.14 -0.36 0.23 0.00 0.00 176.35 175.93 1r4b s PHE 127 N -2.52 1.29 -0.02 0.29 0.08 -0.35 0.57 117.98 117.33 1r4b s PHE 127 Ca 0.14 -0.49 -0.09 0.00 0.12 0.00 0.00 56.93 56.62 1r4b s PHE 127 Cb -0.03 -0.71 0.01 0.00 -0.57 0.00 0.00 43.02 41.72 1r4b s PHE 127 CO 0.04 0.09 0.18 0.50 -0.10 0.00 0.00 175.22 175.93 1r4b s ARG 128 N -2.01 0.47 0.13 0.44 3.52 -0.80 -0.23 118.95 120.47 1r4b s ARG 128 Ca 0.01 -0.22 0.07 0.00 -0.13 0.00 0.00 55.73 55.46 1r4b s ARG 128 Cb -0.08 0.20 -0.04 0.00 -1.56 0.00 0.00 34.95 33.47 1r4b s ARG 128 CO 0.02 -0.11 -0.09 0.20 -0.81 0.00 0.00 175.30 174.52 1r4b s GLY 129 N -1.08 1.78 0.09 8.12 0.00 -1.26 -1.12 107.32 113.84 1r4b s GLY 129 Ca -0.12 -1.30 -0.09 0.00 0.00 0.00 0.00 44.72 43.22 1r4b s GLY 129 CO 0.02 -1.29 0.20 0.99 0.00 0.00 0.00 173.10 173.03 1r4b s ASP 130 N -2.41 0.09 0.50 1.64 1.01 0.36 -4.99 116.67 112.88 1r4b s ASP 130 Ca 0.23 -0.61 0.02 0.00 0.71 0.00 0.00 52.55 52.89 1r4b s ASP 130 Cb -0.10 0.35 0.02 0.00 1.01 0.00 0.00 42.92 44.19 1r4b s ASP 130 CO 0.15 -0.73 0.72 -1.81 0.21 0.00 0.00 175.17 173.70 1r4b s ASP 131 N -2.82 5.49 0.54 0.27 1.01 -1.26 -2.05 116.67 117.85 1r4b s ASP 131 Ca 0.04 0.03 0.27 0.00 0.71 0.00 0.00 52.55 53.61 1r4b s ASP 131 Cb 0.04 -1.06 1.44 0.00 1.01 0.00 0.00 42.92 44.35 1r4b s ASP 131 CO -0.11 -0.96 1.98 -0.65 0.21 0.00 0.00 175.17 175.64 1r4b h PRO 132 N 0.24 0.00 -0.13 8.23 0.11 -1.96 -1.58 132.00 136.91 1r4b h PRO 132 Ca -0.43 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.72 1r4b h PRO 132 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1r4b h PRO 132 CO 0.53 0.00 0.21 0.00 -0.21 0.00 0.00 178.00 178.53 1r4b h ALA 133 N 1.68 1.60 -0.28 -0.75 0.00 -1.88 -0.27 119.26 119.35 1r4b h ALA 133 Ca 0.26 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.25 1r4b h ALA 133 Cb 1.10 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1r4b h ALA 133 CO -0.00 -0.28 0.26 -0.92 0.00 0.00 0.00 179.25 178.31 1r4b h TYR 134 N 0.00 0.00 -0.00 0.00 3.20 -1.68 -0.22 116.97 118.28 1r4b h TYR 134 Ca 0.06 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1r4b h TYR 134 Cb 0.48 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.75 1r4b h TYR 134 CO 0.00 0.00 -0.17 1.28 -1.64 0.00 0.00 178.16 177.63 1r4b n LEU 135 N -3.99 0.42 0.00 2.82 4.77 -0.11 -5.04 117.00 115.87 1r4b n LEU 135 Ca 0.04 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1r4b n LEU 135 Cb 0.41 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1r4b n LEU 135 CO 0.30 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1r4b n GLY 136 N 1.36 1.14 0.27 -0.72 0.00 -0.09 -4.55 105.19 102.60 1r4b n GLY 136 Ca 0.11 -1.88 0.13 0.00 0.00 0.00 0.00 46.02 44.39 1r4b n GLY 136 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r4b h PRO 137 N 0.00 0.00 0.00 1.61 0.13 -1.93 0.05 132.00 131.85 1r4b h PRO 137 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1r4b h PRO 137 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1r4b h PRO 137 CO 0.00 0.08 -0.07 1.05 -0.23 0.00 0.00 178.00 178.83 1r4b h GLU 138 N 0.00 0.00 0.00 0.86 4.11 -1.99 -3.35 114.58 114.21 1r4b h GLU 138 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 1r4b h GLU 138 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1r4b h GLU 138 CO 0.01 0.07 -1.32 1.19 0.07 0.00 0.00 179.01 179.03 1r4b n PHE 139 N -3.16 0.00 -0.23 2.06 3.72 -0.79 -4.73 117.46 114.34 1r4b n PHE 139 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1r4b n PHE 139 Cb 0.42 -0.21 0.04 0.00 -0.94 0.00 0.00 39.48 38.79 1r4b n PHE 139 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1r4b n GLN 140 N -2.01 -0.13 -0.17 -1.08 7.27 -0.07 -0.59 117.38 120.61 1r4b n GLN 140 Ca -0.06 0.93 0.10 0.00 0.07 0.00 0.00 57.00 58.04 1r4b n GLN 140 Cb 0.47 -1.38 0.19 0.00 2.41 0.00 0.00 30.24 31.94 1r4b n GLN 140 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1r4b n ASP 141 N -4.90 3.27 -0.04 1.69 8.00 -1.26 -4.44 116.55 118.86 1r4b n ASP 141 Ca 0.07 -1.94 -0.03 0.00 0.71 0.00 0.00 54.79 53.60 1r4b n ASP 141 Cb 0.25 -0.23 -0.07 0.00 -0.02 0.00 0.00 41.12 41.05 1r4b n ASP 141 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1r4b n LYS 142 N 1.30 2.17 0.23 -1.24 5.02 0.24 -4.71 118.16 121.17 1r4b n LYS 142 Ca 0.17 -0.02 0.09 0.00 -2.02 0.00 0.00 58.31 56.53 1r4b n LYS 142 Cb 0.55 -1.24 0.53 0.00 -0.02 0.00 0.00 35.03 34.86 1r4b n LYS 142 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1r4b h ILE 143 N 0.00 0.79 -3.17 -0.18 6.09 -1.29 -3.43 117.51 116.32 1r4b h ILE 143 Ca -0.21 -0.96 -0.66 0.00 -1.37 0.00 0.00 64.86 61.66 1r4b h ILE 143 Cb 1.41 1.58 -0.14 0.00 0.47 0.00 0.00 36.82 40.15 1r4b h ILE 143 CO 0.01 0.23 -0.58 -0.76 -3.07 0.00 0.00 178.15 173.98 1r4b s LEU 144 N -7.41 3.79 0.92 2.19 1.43 -1.26 -0.66 118.68 117.68 1r4b s LEU 144 Ca -0.02 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.14 1r4b s LEU 144 Cb 0.13 -1.91 0.14 0.00 0.03 0.00 0.00 46.19 44.58 1r4b s LEU 144 CO 0.64 0.32 1.13 0.20 0.23 0.00 0.00 176.35 178.87 1r4b s ASN 145 N -0.52 3.39 0.31 2.29 0.01 0.14 -4.79 114.94 115.77 1r4b s ASN 145 Ca 0.10 1.02 0.02 0.00 -0.71 0.00 0.00 52.86 53.29 1r4b s ASN 145 Cb -0.12 -1.62 0.57 0.00 0.41 0.00 0.00 41.25 40.48 1r4b s ASN 145 CO 0.02 -2.63 1.92 0.50 -1.51 0.00 0.00 177.10 175.41 1r4b h LYS 146 N -1.55 0.95 -0.00 -0.60 3.11 -1.99 -0.48 116.57 116.01 1r4b h LYS 146 Ca -0.51 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.27 1r4b h LYS 146 Cb 1.33 -0.21 0.00 0.00 -1.00 0.00 0.00 32.23 32.34 1r4b h LYS 146 CO 0.61 0.63 0.00 -0.40 -2.81 0.00 0.00 179.45 177.48 1r4b n ASP 147 N -4.48 0.04 0.00 4.20 5.68 -1.26 -4.87 116.55 115.85 1r4b n ASP 147 Ca 0.13 -1.47 0.00 0.00 -0.50 0.00 0.00 54.79 52.95 1r4b n ASP 147 Cb 0.20 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 1r4b n ASP 147 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1r4b n GLY 148 N 0.78 0.75 3.90 6.12 0.00 -0.19 -5.05 105.19 111.50 1r4b n GLY 148 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1r4b n GLY 148 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r4b s THR 149 N -2.75 4.37 -0.08 2.61 -4.23 -1.26 -4.69 115.64 109.62 1r4b s THR 149 Ca 0.00 0.39 -0.30 0.00 -1.18 0.00 0.00 61.69 60.60 1r4b s THR 149 Cb 0.00 -3.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.09 1r4b s THR 149 CO 0.00 -0.82 1.26 -0.63 -0.54 0.00 0.00 174.62 173.89 1r4b s ILE 150 N -3.01 4.17 -0.28 2.99 -1.09 -0.41 0.25 121.20 123.82 1r4b s ILE 150 Ca 0.53 1.48 -0.28 0.00 -2.23 0.00 0.00 60.65 60.14 1r4b s ILE 150 Cb -0.11 -3.95 -0.04 0.00 -1.58 0.00 0.00 42.46 36.78 1r4b s ILE 150 CO 0.49 -0.04 2.09 0.21 -1.23 0.00 0.00 174.94 176.45 1r4b s ASN 151 N 1.74 5.54 0.41 3.58 3.84 0.16 -4.81 114.94 125.40 1r4b s ASN 151 Ca 0.57 1.63 0.10 0.00 0.21 0.00 0.00 52.86 55.37 1r4b s ASN 151 Cb -0.25 -2.52 0.87 0.00 -0.55 0.00 0.00 41.25 38.81 1r4b s ASN 151 CO 0.21 -1.93 1.98 0.11 -2.79 0.00 0.00 177.10 174.67 1r4b h LYS 152 N 14.58 0.26 0.19 0.43 1.57 -1.93 -1.27 116.57 130.40 1r4b h LYS 152 Ca -0.37 -0.04 -0.30 0.00 -1.87 0.00 0.00 60.65 58.06 1r4b h LYS 152 Cb 1.22 -0.04 0.03 0.00 0.08 0.00 0.00 32.23 33.51 1r4b h LYS 152 CO 1.00 0.32 -1.29 1.79 -0.57 0.00 0.00 179.45 180.70 1r4b h THR 153 N 0.26 1.32 -0.19 -0.16 1.35 -1.98 -3.11 112.91 110.39 1r4b h THR 153 Ca 0.06 -2.57 -0.04 0.00 -0.55 0.00 0.00 66.41 63.30 1r4b h THR 153 Cb 0.23 2.94 -0.01 0.00 -1.73 0.00 0.00 68.15 69.58 1r4b h THR 153 CO 0.01 0.77 -0.08 0.58 -0.25 0.00 0.00 175.52 176.55 1r4b h VAL 154 N 0.11 1.17 0.00 6.82 2.07 -1.87 -2.02 116.25 122.54 1r4b h VAL 154 Ca -0.21 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1r4b h VAL 154 Cb 1.99 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1r4b h VAL 154 CO 0.24 0.23 -0.06 0.15 0.02 0.00 0.00 177.57 178.15 1r4b h PHE 155 N 0.28 0.00 -0.28 1.57 3.57 -1.18 -0.91 116.94 119.98 1r4b h PHE 155 Ca 0.06 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 1r4b h PHE 155 Cb 0.32 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1r4b h PHE 155 CO 0.01 0.06 -0.24 0.93 -2.23 0.00 0.00 178.31 176.83 1r4b h GLU 156 N 0.00 0.54 -0.03 1.11 4.39 -1.30 -1.75 114.58 117.54 1r4b h GLU 156 Ca -0.00 -0.21 -0.17 0.00 0.34 0.00 0.00 59.36 59.33 1r4b h GLU 156 Cb 0.11 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1r4b h GLU 156 CO 0.01 0.74 -0.72 1.96 -1.16 0.00 0.00 179.01 179.84 1r4b h GLN 157 N 0.48 0.21 -0.36 2.33 4.20 -1.23 -2.43 115.11 118.31 1r4b h GLN 157 Ca 0.07 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1r4b h GLN 157 Cb 0.68 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 1r4b h GLN 157 CO 0.05 0.84 0.18 0.28 -0.67 0.00 0.00 178.83 179.51 1r4b h VAL 158 N 0.14 1.16 -0.83 -0.54 2.07 -1.06 -1.85 116.25 115.33 1r4b h VAL 158 Ca -0.02 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1r4b h VAL 158 Cb 1.28 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 1r4b h VAL 158 CO 0.11 0.16 0.44 0.11 0.02 0.00 0.00 177.57 178.41 1r4b h LYS 159 N 0.44 1.17 -0.76 1.57 1.57 -1.32 0.60 116.57 119.84 1r4b h LYS 159 Ca 0.12 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1r4b h LYS 159 Cb 0.10 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 1r4b h LYS 159 CO -0.02 0.87 0.34 0.00 -0.57 0.00 0.00 179.45 180.07 1r4b h ALA 160 N 1.23 1.16 -0.07 3.86 0.00 -1.08 0.44 119.26 124.80 1r4b h ALA 160 Ca 0.29 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 1r4b h ALA 160 Cb 0.06 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.55 1r4b h ALA 160 CO -0.04 0.62 -0.88 -0.22 0.00 0.00 0.00 179.25 178.73 1r4b h LYS 161 N 1.09 0.65 0.00 0.00 3.64 -0.90 -3.40 116.57 117.65 1r4b h LYS 161 Ca 0.26 -0.61 -0.04 0.00 -1.27 0.00 0.00 60.65 59.00 1r4b h LYS 161 Cb 0.15 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1r4b h LYS 161 CO -0.03 1.21 -1.40 1.19 -2.27 0.00 0.00 179.45 178.16 1r4b n PHE 162 N -3.87 0.00 -2.40 1.91 3.72 0.16 -4.94 117.46 112.04 1r4b n PHE 162 Ca -0.08 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.91 1r4b n PHE 162 Cb 0.80 -0.23 -0.04 0.00 -0.94 0.00 0.00 39.48 39.07 1r4b n PHE 162 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1r4b s LEU 163 N -3.82 4.48 -1.52 4.37 2.96 0.15 -3.21 118.68 122.10 1r4b s LEU 163 Ca -0.03 2.24 -0.13 0.00 -0.22 0.00 0.00 54.13 55.99 1r4b s LEU 163 Cb 0.04 -3.61 0.08 0.00 0.50 0.00 0.00 46.19 43.20 1r4b s LEU 163 CO 0.32 -0.31 1.01 0.29 -1.32 0.00 0.00 176.35 176.34 1r4b n LYS 164 N 2.12 -5.77 -4.22 1.98 5.02 0.78 -4.95 118.16 113.12 1r4b n LYS 164 Ca 0.03 0.62 -0.13 0.00 -2.02 0.00 0.00 58.31 56.81 1r4b n LYS 164 Cb 0.45 -5.53 -0.10 0.00 -0.02 0.00 0.00 35.03 29.83 1r4b n LYS 164 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1r4b s LYS 165 N -6.60 0.99 0.43 1.97 1.02 -1.20 -4.94 119.74 111.43 1r4b s LYS 165 Ca 0.66 -1.43 -0.01 0.00 0.02 0.00 0.00 55.97 55.21 1r4b s LYS 165 Cb -0.33 -0.43 -0.02 0.00 -0.52 0.00 0.00 37.83 36.53 1r4b s LYS 165 CO 0.82 0.01 0.67 0.16 -0.92 0.00 0.00 175.35 176.09 1r4b s ASP 166 N -3.13 6.05 0.02 2.83 -4.77 -1.26 -1.10 116.67 115.31 1r4b s ASP 166 Ca 0.16 0.49 0.00 0.00 -3.30 0.00 0.00 52.55 49.90 1r4b s ASP 166 Cb 0.04 -1.85 -0.02 0.00 -1.09 0.00 0.00 42.92 40.00 1r4b s ASP 166 CO -0.01 -0.56 -0.04 -0.60 0.70 0.00 0.00 175.17 174.66 1r4b s ARG 167 N -4.54 0.32 -0.13 2.11 3.52 0.97 -4.92 118.95 116.28 1r4b s ARG 167 Ca 0.46 -0.57 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 1r4b s ARG 167 Cb -0.10 0.02 -0.01 0.00 -1.56 0.00 0.00 34.95 33.30 1r4b s ARG 167 CO 0.39 -0.03 -0.14 0.99 -0.81 0.00 0.00 175.30 175.71 1r4b s THR 168 N -1.28 2.95 -0.20 4.11 2.01 -1.26 -0.55 115.64 121.41 1r4b s THR 168 Ca -0.13 -0.69 -0.07 0.00 0.31 0.00 0.00 61.69 61.11 1r4b s THR 168 Cb -0.09 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 1r4b s THR 168 CO -0.01 0.52 0.05 -0.70 -0.69 0.00 0.00 174.62 173.80 1r4b s GLU 169 N 0.43 3.82 0.15 4.92 2.56 -0.09 -4.98 118.70 125.51 1r4b s GLU 169 Ca -0.10 -0.41 0.02 0.00 0.00 0.00 0.00 54.97 54.47 1r4b s GLU 169 Cb -0.16 -3.22 -0.06 0.00 2.00 0.00 0.00 34.13 32.69 1r4b s GLU 169 CO 0.05 0.10 1.34 1.88 -0.56 0.00 0.00 175.26 178.07 1r4b h TYR 170 N 7.26 0.29 -3.85 5.30 0.05 -1.91 0.57 116.97 124.68 1r4b h TYR 170 Ca -0.36 -0.17 -0.46 0.00 0.05 0.00 0.00 58.73 57.79 1r4b h TYR 170 Cb 1.17 -0.03 0.12 0.00 1.01 0.00 0.00 36.73 39.01 1r4b h TYR 170 CO 0.60 1.01 0.34 0.20 -1.05 0.00 0.00 178.16 179.27 1r4b s GLY 171 N -4.55 1.72 0.68 3.88 0.00 -1.26 -3.53 107.32 104.25 1r4b s GLY 171 Ca -0.03 -1.10 -0.13 0.00 0.00 0.00 0.00 44.72 43.47 1r4b s GLY 171 CO 0.83 -0.49 1.07 -0.19 0.00 0.00 0.00 173.10 174.33 1r4b s TYR 172 N -3.60 2.93 -0.37 1.90 2.02 -1.26 -4.02 117.35 114.95 1r4b s TYR 172 Ca 0.68 1.48 -0.10 0.00 -0.37 0.00 0.00 57.07 58.76 1r4b s TYR 172 Cb -0.07 -2.97 0.04 0.00 -0.40 0.00 0.00 41.96 38.55 1r4b s TYR 172 CO 0.49 -1.35 0.19 0.42 -1.57 0.00 0.00 175.55 173.74 1r4b s ILE 173 N -2.79 4.37 -0.09 2.71 1.01 -0.83 -4.93 121.20 120.65 1r4b s ILE 173 Ca 0.61 -0.98 -0.23 0.00 0.00 0.00 0.00 60.65 60.05 1r4b s ILE 173 Cb -0.16 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 1r4b s ILE 173 CO 0.49 -0.26 0.68 -0.44 0.00 0.00 0.00 174.94 175.41 1r4b s SER 174 N 1.57 6.92 0.36 3.58 0.01 -1.26 -0.94 113.70 123.95 1r4b s SER 174 Ca 0.01 1.11 0.04 0.00 1.31 0.00 0.00 55.95 58.43 1r4b s SER 174 Cb -0.20 -2.40 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 1r4b s SER 174 CO 0.05 -0.14 0.15 0.35 0.41 0.00 0.00 173.24 174.06 1r4b n THR 175 N 3.94 0.00 -4.13 1.44 -2.24 -0.31 -4.80 114.28 108.18 1r4b n THR 175 Ca -0.01 -2.18 -0.13 0.00 -2.27 0.00 0.00 64.05 59.45 1r4b n THR 175 Cb 0.51 0.83 -0.11 0.00 -2.10 0.00 0.00 70.33 69.46 1r4b n THR 175 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1r4b s SER 176 N -3.27 1.14 0.58 3.42 0.15 0.68 -1.35 113.70 115.05 1r4b s SER 176 Ca 0.21 -0.75 0.35 0.00 0.70 0.00 0.00 55.95 56.47 1r4b s SER 176 Cb 0.01 0.04 1.73 0.00 -1.71 0.00 0.00 66.02 66.09 1r4b s SER 176 CO 0.15 -0.28 2.13 -0.07 1.20 0.00 0.00 173.24 176.37 1r4b h LEU 177 N 3.83 0.00 -9.06 3.45 3.38 -1.73 -0.91 115.31 114.27 1r4b h LEU 177 Ca -0.36 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 56.99 1r4b h LEU 177 Cb 1.19 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.77 1r4b h LEU 177 CO 0.50 0.04 -0.80 -0.04 0.09 0.00 0.00 178.44 178.24 1r4b s MET 178 N -3.98 1.53 -0.01 1.13 -1.94 -1.26 -4.32 119.30 110.44 1r4b s MET 178 Ca -0.02 -1.59 0.22 0.00 -1.71 0.00 0.00 55.69 52.59 1r4b s MET 178 Cb 0.12 -1.74 -0.28 0.00 2.01 0.00 0.00 34.83 34.93 1r4b s MET 178 CO 0.52 0.36 0.63 -1.13 -0.01 0.00 0.00 175.02 175.38 1r4b n SER 179 N -0.02 0.31 -0.24 3.03 3.41 -1.26 -4.64 113.62 114.20 1r4b n SER 179 Ca -0.10 -0.26 0.04 0.00 -0.26 0.00 0.00 58.87 58.29 1r4b n SER 179 Cb 0.57 1.64 0.17 0.00 -0.26 0.00 0.00 64.21 66.34 1r4b n SER 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r4b h ALA 180 N 2.28 0.98 0.00 7.33 0.00 -1.98 0.84 119.26 128.72 1r4b h ALA 180 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1r4b h ALA 180 Cb 0.86 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1r4b h ALA 180 CO 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.02 1r4b n GLN 181 N -5.03 0.06 -0.17 0.00 0.00 -1.26 -1.86 117.38 109.12 1r4b n GLN 181 Ca 0.13 0.41 0.11 0.00 0.00 0.00 0.00 57.00 57.64 1r4b n GLN 181 Cb 0.39 -1.65 0.19 0.00 0.00 0.00 0.00 30.24 29.17 1r4b n GLN 181 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1r4b n PHE 182 N -1.77 0.46 0.03 2.61 3.72 0.29 -4.62 117.46 118.17 1r4b n PHE 182 Ca 0.02 -0.26 0.22 0.00 -0.05 0.00 0.00 57.45 57.37 1r4b n PHE 182 Cb 0.12 -0.00 0.73 0.00 -0.94 0.00 0.00 39.48 39.39 1r4b n PHE 182 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1r4b h GLY 183 N 4.00 0.00 -2.13 1.37 0.00 -1.42 -1.52 103.07 103.37 1r4b h GLY 183 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1r4b h GLY 183 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1r4b n GLY 184 N -1.55 1.39 3.82 4.60 0.00 -1.26 -4.98 105.19 107.21 1r4b n GLY 184 Ca 0.10 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 1r4b n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r4b s ARG 185 N -1.71 4.01 0.34 1.61 1.81 -0.57 -4.98 118.95 119.46 1r4b s ARG 185 Ca 0.34 1.17 0.15 0.00 -1.72 0.00 0.00 55.73 55.66 1r4b s ARG 185 Cb 0.21 -2.14 0.60 0.00 -0.45 0.00 0.00 34.95 33.17 1r4b s ARG 185 CO 0.31 -0.23 1.72 -1.00 -0.68 0.00 0.00 175.30 175.42 1r4b h PRO 186 N 1.56 0.00 -4.54 3.54 0.14 -1.82 -3.42 132.00 127.45 1r4b h PRO 186 Ca -0.49 0.00 -0.57 0.00 0.14 0.00 0.00 66.00 65.08 1r4b h PRO 186 Cb 1.19 0.00 -0.36 0.00 0.14 0.00 0.00 31.00 31.98 1r4b h PRO 186 CO 0.60 0.45 -0.82 0.42 0.14 0.00 0.00 178.00 178.79 1r4b s ILE 187 N -3.73 1.36 -0.10 -3.56 1.01 -0.87 -0.02 121.20 115.28 1r4b s ILE 187 Ca -0.01 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.15 1r4b s ILE 187 Cb 0.12 -1.29 -0.00 0.00 0.01 0.00 0.00 42.46 41.30 1r4b s ILE 187 CO 0.72 0.42 -0.22 -0.69 0.00 0.00 0.00 174.94 175.17 1r4b s VAL 188 N 1.39 2.26 -0.12 2.92 1.01 -0.36 -0.49 120.40 127.00 1r4b s VAL 188 Ca 0.01 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 1r4b s VAL 188 Cb -0.13 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1r4b s VAL 188 CO -0.07 0.55 -0.07 -0.89 0.00 0.00 0.00 175.10 174.63 1r4b s THR 189 N 0.32 3.65 -0.29 3.92 2.01 -0.28 -0.62 115.64 124.35 1r4b s THR 189 Ca -0.17 -0.46 -0.08 0.00 0.31 0.00 0.00 61.69 61.29 1r4b s THR 189 Cb -0.17 -2.55 -0.00 0.00 0.01 0.00 0.00 72.50 69.78 1r4b s THR 189 CO 0.08 0.53 0.10 -0.75 -0.69 0.00 0.00 174.62 173.90 1r4b s LYS 190 N -0.02 3.30 -0.18 4.92 2.20 0.67 -1.90 119.74 128.72 1r4b s LYS 190 Ca -0.00 -0.73 -0.15 0.00 -0.36 0.00 0.00 55.97 54.73 1r4b s LYS 190 Cb -0.13 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 1r4b s LYS 190 CO 0.03 -0.38 0.34 -0.06 -0.36 0.00 0.00 175.35 174.92 1r4b s PHE 191 N 1.57 3.41 -0.36 4.03 0.08 0.19 -0.93 117.98 125.97 1r4b s PHE 191 Ca 0.04 0.59 -0.13 0.00 0.12 0.00 0.00 56.93 57.55 1r4b s PHE 191 Cb -0.17 -2.43 -0.00 0.00 -0.57 0.00 0.00 43.02 39.85 1r4b s PHE 191 CO 0.04 0.11 0.25 0.15 -0.10 0.00 0.00 175.22 175.66 1r4b s LYS 192 N 0.91 3.31 -0.18 0.44 1.02 0.66 -0.95 119.74 124.96 1r4b s LYS 192 Ca 0.17 -0.77 -0.02 0.00 0.02 0.00 0.00 55.97 55.37 1r4b s LYS 192 Cb -0.14 -3.82 -0.01 0.00 -0.52 0.00 0.00 37.83 33.34 1r4b s LYS 192 CO 0.06 -0.53 -0.10 0.08 -0.92 0.00 0.00 175.35 173.94 1r4b s VAL 193 N 1.69 3.06 0.29 3.17 1.01 0.06 -1.54 120.40 128.14 1r4b s VAL 193 Ca 0.05 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 1r4b s VAL 193 Cb -0.18 -2.34 -0.10 0.00 0.00 0.00 0.00 36.38 33.77 1r4b s VAL 193 CO 0.10 0.48 1.13 0.42 0.00 0.00 0.00 175.10 177.23 1r4b s THR 194 N 0.98 3.35 -0.17 3.92 -4.23 -1.05 -1.29 115.64 117.15 1r4b s THR 194 Ca -0.01 1.36 -0.33 0.00 -1.18 0.00 0.00 61.69 61.53 1r4b s THR 194 Cb -0.15 -3.87 -0.15 0.00 1.34 0.00 0.00 72.50 69.67 1r4b s THR 194 CO -0.01 0.32 1.00 -3.20 -0.54 0.00 0.00 174.62 172.19 1r4b n ASN 195 N 1.12 0.41 0.00 3.99 5.15 -1.23 -1.78 115.26 122.92 1r4b n ASN 195 Ca -0.01 0.90 0.00 0.00 -0.60 0.00 0.00 54.58 54.87 1r4b n ASN 195 Cb 0.44 -0.69 0.00 0.00 -0.53 0.00 0.00 39.78 39.00 1r4b n ASN 195 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1r4b n GLY 196 N 2.00 1.33 3.77 8.20 0.00 -0.42 -4.95 105.19 115.11 1r4b n GLY 196 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1r4b n GLY 196 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r4b s SER 197 N -1.69 5.21 0.15 1.61 0.01 -0.73 -4.59 113.70 113.67 1r4b s SER 197 Ca 0.00 2.07 -0.30 0.00 1.31 0.00 0.00 55.95 59.03 1r4b s SER 197 Cb 0.00 -2.56 -0.07 0.00 0.21 0.00 0.00 66.02 63.60 1r4b s SER 197 CO 0.00 -1.57 1.14 -0.54 0.41 0.00 0.00 173.24 172.68 1r4b s LYS 198 N -3.87 4.53 0.00 12.44 1.02 -1.26 -0.37 119.74 132.24 1r4b s LYS 198 Ca 0.69 1.76 0.00 0.00 0.02 0.00 0.00 55.97 58.44 1r4b s LYS 198 Cb -0.22 -3.29 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 1r4b s LYS 198 CO 0.38 -0.04 0.00 0.41 -0.92 0.00 0.00 175.35 175.18 1r4b n GLY 199 N 2.37 2.80 3.25 -3.33 0.00 -0.74 -4.48 105.19 105.07 1r4b n GLY 199 Ca 0.05 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 1r4b n GLY 199 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r4b s GLY 200 N 0.00 -0.11 -0.31 -0.02 0.00 -0.66 -3.03 107.32 103.19 1r4b s GLY 200 Ca 0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 44.72 44.41 1r4b s GLY 200 CO 0.00 -0.27 0.92 -0.47 0.00 0.00 0.00 173.10 173.28 1r4b s TYR 201 N -2.75 3.18 -0.28 1.90 5.04 -1.26 0.09 117.35 123.27 1r4b s TYR 201 Ca -0.04 0.99 0.03 0.00 -2.44 0.00 0.00 57.07 55.62 1r4b s TYR 201 Cb -0.00 -3.43 0.09 0.00 0.35 0.00 0.00 41.96 38.97 1r4b s TYR 201 CO -0.05 -0.65 1.06 0.44 -1.34 0.00 0.00 175.55 175.02 1r4b n ILE 202 N 5.68 0.98 -0.25 3.14 -5.35 -0.29 -4.74 119.36 118.52 1r4b n ILE 202 Ca 0.07 -0.99 0.05 0.00 -0.27 0.00 0.00 62.75 61.62 1r4b n ILE 202 Cb 0.48 0.51 0.18 0.00 -1.74 0.00 0.00 39.64 39.07 1r4b n ILE 202 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1r4b h ASP 203 N 0.61 0.26 0.02 7.28 3.58 -1.92 -0.88 116.42 125.37 1r4b h ASP 203 Ca 0.00 0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 1r4b h ASP 203 Cb 0.56 0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.70 1r4b h ASP 203 CO 0.00 0.10 -0.00 -0.65 -2.88 0.00 0.00 179.24 175.81 1r4b h PRO 204 N 0.43 0.00 -0.11 0.28 0.11 -1.95 -2.51 132.00 128.26 1r4b h PRO 204 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1r4b h PRO 204 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1r4b h PRO 204 CO -0.41 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 177.82 1r4b n ILE 205 N -3.13 0.83 -2.23 4.15 -5.35 -0.42 -5.05 119.36 108.17 1r4b n ILE 205 Ca -0.03 -0.92 -0.34 0.00 -0.27 0.00 0.00 62.75 61.20 1r4b n ILE 205 Cb 0.08 0.60 -0.00 0.00 -1.74 0.00 0.00 39.64 38.57 1r4b n ILE 205 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1r4b s SER 206 N -0.89 5.90 0.54 7.28 0.15 -0.72 -4.25 113.70 121.70 1r4b s SER 206 Ca 0.08 1.95 0.30 0.00 0.70 0.00 0.00 55.95 58.97 1r4b s SER 206 Cb 0.04 -2.55 1.51 0.00 -1.71 0.00 0.00 66.02 63.31 1r4b s SER 206 CO 0.06 -1.09 2.08 0.22 1.20 0.00 0.00 173.24 175.71 1r4b h TYR 207 N 0.94 0.00 -2.70 3.44 3.20 -1.85 -3.36 116.97 116.65 1r4b h TYR 207 Ca -0.48 0.00 -0.61 0.00 3.14 0.00 0.00 58.73 60.78 1r4b h TYR 207 Cb 1.23 0.00 -0.41 0.00 1.54 0.00 0.00 36.73 39.09 1r4b h TYR 207 CO 0.56 0.10 -0.68 1.19 -1.64 0.00 0.00 178.16 177.69 1r4b n PHE 208 N -3.50 2.40 -1.95 -3.82 3.72 -1.26 -5.02 117.46 108.03 1r4b n PHE 208 Ca -0.02 -4.06 -0.39 0.00 -0.05 0.00 0.00 57.45 52.94 1r4b n PHE 208 Cb 0.24 -0.44 0.02 0.00 -0.94 0.00 0.00 39.48 38.35 1r4b n PHE 208 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1r4b s PRO 209 N -1.41 3.57 0.00 -1.08 0.04 -1.26 -3.14 135.00 131.72 1r4b s PRO 209 Ca 0.30 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1r4b s PRO 209 Cb 0.03 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1r4b s PRO 209 CO -0.14 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.49 1r4b n GLY 210 N 0.63 0.82 0.13 0.56 0.00 -1.26 -4.91 105.19 101.15 1r4b n GLY 210 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 1r4b n GLY 210 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1r4b n GLN 211 N -1.87 0.22 -3.77 1.61 6.02 -1.19 -4.94 117.38 113.47 1r4b n GLN 211 Ca 0.00 0.39 -0.25 0.00 -0.01 0.00 0.00 57.00 57.14 1r4b n GLN 211 Cb 0.00 -1.88 0.03 0.00 1.02 0.00 0.00 30.24 29.41 1r4b n GLN 211 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1r4b n LEU 212 N -2.29 -2.95 -4.74 1.08 4.77 -1.26 -4.68 117.00 106.93 1r4b n LEU 212 Ca 0.03 -0.78 -0.41 0.00 -0.03 0.00 0.00 56.01 54.82 1r4b n LEU 212 Cb 0.27 -2.66 -0.05 0.00 -2.33 0.00 0.00 43.42 38.66 1r4b n LEU 212 CO 0.22 0.44 0.73 -0.70 -1.33 0.00 0.00 177.39 176.75 1r4b s GLU 213 N -6.22 4.70 -0.15 3.23 2.12 -1.26 -2.29 118.70 118.84 1r4b s GLU 213 Ca 0.28 1.62 0.02 0.00 0.36 0.00 0.00 54.97 57.25 1r4b s GLU 213 Cb -0.14 -3.28 0.01 0.00 0.26 0.00 0.00 34.13 30.99 1r4b s GLU 213 CO 0.81 0.27 -0.21 0.08 -0.54 0.00 0.00 175.26 175.67 1r4b s VAL 214 N -0.69 2.11 -0.14 3.70 1.01 -0.45 -1.14 120.40 124.81 1r4b s VAL 214 Ca 0.45 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 1r4b s VAL 214 Cb -0.28 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1r4b s VAL 214 CO 0.34 0.55 0.04 -0.22 0.00 0.00 0.00 175.10 175.81 1r4b s LEU 215 N 0.88 3.72 0.18 3.92 2.96 0.11 -1.16 118.68 129.29 1r4b s LEU 215 Ca -0.05 0.12 0.10 0.00 -0.22 0.00 0.00 54.13 54.07 1r4b s LEU 215 Cb -0.15 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 1r4b s LEU 215 CO -0.03 0.27 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.33 1r4b s LEU 216 N -0.19 2.70 0.79 -0.68 1.43 -0.12 -1.65 118.68 120.96 1r4b s LEU 216 Ca 0.07 -0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 52.33 1r4b s LEU 216 Cb -0.12 -1.42 0.07 0.00 0.03 0.00 0.00 46.19 44.75 1r4b s LEU 216 CO 0.02 0.12 1.13 -2.16 0.23 0.00 0.00 176.35 175.69 1r4b s PRO 217 N -2.70 1.94 0.89 1.29 0.04 -1.26 -1.97 135.00 133.23 1r4b s PRO 217 Ca 0.22 1.43 -0.12 0.00 0.04 0.00 0.00 61.00 62.58 1r4b s PRO 217 Cb -0.09 -1.84 0.13 0.00 0.04 0.00 0.00 34.50 32.74 1r4b s PRO 217 CO 0.12 -1.92 1.14 -0.98 0.04 0.00 0.00 177.00 175.39 1r4b s ARG 218 N -4.51 1.31 -1.64 4.56 1.70 -1.26 -3.99 118.95 115.12 1r4b s ARG 218 Ca 0.66 0.32 -0.17 0.00 -0.47 0.00 0.00 55.73 56.07 1r4b s ARG 218 Cb -0.22 -1.86 0.13 0.00 -0.57 0.00 0.00 34.95 32.44 1r4b s ARG 218 CO 0.52 -2.09 0.87 0.09 -1.08 0.00 0.00 175.30 173.62 1r4b n ASN 219 N -3.69 -3.97 -4.86 -2.89 3.02 0.17 -4.94 115.26 98.09 1r4b n ASN 219 Ca 0.07 -0.91 -0.33 0.00 -0.03 0.00 0.00 54.58 53.37 1r4b n ASN 219 Cb 0.59 -3.21 -0.05 0.00 -0.61 0.00 0.00 39.78 36.50 1r4b n ASN 219 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1r4b s ASN 220 N -3.28 6.69 -0.09 6.41 3.04 -1.10 -4.87 114.94 121.75 1r4b s ASN 220 Ca 0.72 0.95 0.01 0.00 0.04 0.00 0.00 52.86 54.58 1r4b s ASN 220 Cb -0.38 -2.24 -0.02 0.00 -1.54 0.00 0.00 41.25 37.07 1r4b s ASN 220 CO 0.89 0.02 -0.13 -0.44 -3.04 0.00 0.00 177.10 174.40 1r4b s SER 221 N -2.07 4.10 0.10 -4.21 0.01 -1.26 -0.92 113.70 109.45 1r4b s SER 221 Ca 0.42 -0.24 0.05 0.00 1.31 0.00 0.00 55.95 57.49 1r4b s SER 221 Cb -0.13 -1.28 -0.03 0.00 0.21 0.00 0.00 66.02 64.79 1r4b s SER 221 CO 0.20 0.25 -0.14 -0.72 0.41 0.00 0.00 173.24 173.25 1r4b s TYR 222 N -0.17 1.31 -0.26 2.43 1.13 0.29 -4.67 117.35 117.40 1r4b s TYR 222 Ca 0.00 -0.53 -0.11 0.00 -1.41 0.00 0.00 57.07 55.02 1r4b s TYR 222 Cb -0.13 -0.71 -0.05 0.00 -1.10 0.00 0.00 41.96 39.97 1r4b s TYR 222 CO 0.03 0.10 0.18 -0.47 -2.51 0.00 0.00 175.55 172.88 1r4b s TYR 223 N -1.85 3.26 -0.54 -3.49 5.04 -0.23 -0.02 117.35 119.52 1r4b s TYR 223 Ca 0.05 0.16 -0.25 0.00 -2.44 0.00 0.00 57.07 54.59 1r4b s TYR 223 Cb -0.07 -2.33 0.04 0.00 0.35 0.00 0.00 41.96 39.95 1r4b s TYR 223 CO 0.02 -0.07 0.98 0.42 -1.34 0.00 0.00 175.55 175.57 1r4b s ILE 224 N 1.47 4.34 -0.57 3.14 1.01 -0.26 0.37 121.20 130.71 1r4b s ILE 224 Ca 0.07 0.49 0.23 0.00 0.00 0.00 0.00 60.65 61.44 1r4b s ILE 224 Cb -0.15 -4.55 -0.09 0.00 0.01 0.00 0.00 42.46 37.68 1r4b s ILE 224 CO 0.08 -1.09 1.04 -1.54 0.00 0.00 0.00 174.94 173.43 1r4b n SER 225 N 7.56 0.62 -3.56 3.58 3.41 -0.27 -0.16 113.62 124.80 1r4b n SER 225 Ca 0.04 -0.13 -0.15 0.00 -0.26 0.00 0.00 58.87 58.37 1r4b n SER 225 Cb 0.48 0.74 -0.06 0.00 -0.26 0.00 0.00 64.21 65.11 1r4b n SER 225 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1r4b s ASP 226 N -4.07 -0.58 -0.08 4.04 2.15 -1.15 -4.77 116.67 112.20 1r4b s ASP 226 Ca 0.03 0.76 -0.04 0.00 0.43 0.00 0.00 52.55 53.74 1r4b s ASP 226 Cb 0.14 0.65 0.04 0.00 -0.30 0.00 0.00 42.92 43.45 1r4b s ASP 226 CO 0.79 -0.45 0.19 -0.04 -0.17 0.00 0.00 175.17 175.49 1r4b s MET 227 N -0.81 0.14 0.03 4.34 -1.94 -1.26 -0.94 119.30 118.86 1r4b s MET 227 Ca -0.06 0.43 -0.07 0.00 -1.71 0.00 0.00 55.69 54.29 1r4b s MET 227 Cb -0.01 -0.16 -0.01 0.00 2.01 0.00 0.00 34.83 36.66 1r4b s MET 227 CO 0.05 -0.16 0.12 -0.65 -0.01 0.00 0.00 175.02 174.37 1r4b s GLN 228 N 1.20 0.59 0.05 2.03 -0.21 -0.25 -4.99 119.66 118.08 1r4b s GLN 228 Ca -0.09 -0.66 -0.22 0.00 0.02 0.00 0.00 55.36 54.41 1r4b s GLN 228 Cb -0.11 0.24 -0.06 0.00 1.00 0.00 0.00 33.01 34.07 1r4b s GLN 228 CO -0.07 -0.15 0.65 0.42 -2.12 0.00 0.00 175.29 174.02 1r4b s ILE 229 N -2.37 4.76 0.67 1.08 1.01 -1.26 -0.46 121.20 124.62 1r4b s ILE 229 Ca -0.07 1.38 -0.14 0.00 0.00 0.00 0.00 60.65 61.82 1r4b s ILE 229 Cb -0.02 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1r4b s ILE 229 CO -0.03 0.45 1.10 -0.94 0.00 0.00 0.00 174.94 175.52 1r4b s SER 230 N -0.50 5.13 0.42 3.58 1.04 0.34 -4.88 113.70 118.83 1r4b s SER 230 Ca 0.33 1.94 0.22 0.00 0.48 0.00 0.00 55.95 58.92 1r4b s SER 230 Cb -0.20 -2.54 1.20 0.00 0.10 0.00 0.00 66.02 64.58 1r4b s SER 230 CO 0.20 -1.62 1.75 -0.65 0.98 0.00 0.00 173.24 173.90 1r4b h PRO 231 N -0.09 0.30 -0.00 4.02 0.11 -1.96 0.14 132.00 134.51 1r4b h PRO 231 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1r4b h PRO 231 Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1r4b h PRO 231 CO 0.54 0.20 -0.00 0.27 -0.21 0.00 0.00 178.00 178.80 1r4b n ASN 232 N -4.60 0.32 -0.94 -2.05 6.94 -1.26 -4.92 115.26 108.75 1r4b n ASN 232 Ca 0.27 -1.08 -0.12 0.00 -0.02 0.00 0.00 54.58 53.63 1r4b n ASN 232 Cb 1.00 -0.01 -0.05 0.00 -2.36 0.00 0.00 39.78 38.37 1r4b n ASN 232 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1r4b n ASN 233 N -0.76 -4.64 0.00 0.53 3.02 0.48 -4.85 115.26 109.04 1r4b n ASN 233 Ca 0.23 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 55.08 1r4b n ASN 233 Cb 0.17 -3.22 0.00 0.00 -0.61 0.00 0.00 39.78 36.12 1r4b n ASN 233 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1r4b n ARG 234 N -2.43 -0.26 -3.95 3.52 1.74 -1.26 -1.28 116.66 112.74 1r4b n ARG 234 Ca -0.12 -0.54 -0.10 0.00 -0.77 0.00 0.00 57.85 56.32 1r4b n ARG 234 Cb 0.43 -0.89 -0.11 0.00 -1.02 0.00 0.00 32.46 30.86 1r4b n ARG 234 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1r4b s GLN 235 N -0.13 0.27 -0.20 5.56 0.74 -1.26 -4.65 119.66 119.99 1r4b s GLN 235 Ca 0.00 -0.49 -0.07 0.00 0.05 0.00 0.00 55.36 54.85 1r4b s GLN 235 Cb 0.00 0.10 -0.04 0.00 1.10 0.00 0.00 33.01 34.17 1r4b s GLN 235 CO 0.00 -0.05 0.05 0.42 -0.55 0.00 0.00 175.29 175.17 1r4b s ILE 236 N -1.20 4.52 -0.23 -2.34 1.01 0.97 -0.50 121.20 123.42 1r4b s ILE 236 Ca -0.13 -0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.33 1r4b s ILE 236 Cb -0.08 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 1r4b s ILE 236 CO -0.01 0.42 0.07 -0.04 0.00 0.00 0.00 174.94 175.38 1r4b s MET 237 N 0.82 3.74 -0.04 2.79 -1.94 0.39 -1.23 119.30 123.83 1r4b s MET 237 Ca 0.03 -0.44 0.02 0.00 -1.71 0.00 0.00 55.69 53.59 1r4b s MET 237 Cb -0.14 -3.31 -0.03 0.00 2.01 0.00 0.00 34.83 33.37 1r4b s MET 237 CO 0.02 -0.07 -0.09 0.42 -0.01 0.00 0.00 175.02 175.29 1r4b s ILE 238 N 1.32 3.52 -0.11 2.53 1.01 0.20 -1.09 121.20 128.59 1r4b s ILE 238 Ca 0.05 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.08 1r4b s ILE 238 Cb -0.15 -2.46 -0.01 0.00 0.01 0.00 0.00 42.46 39.86 1r4b s ILE 238 CO 0.04 0.53 -0.18 -0.89 0.00 0.00 0.00 174.94 174.43 1r4b s THR 239 N -0.85 2.59 0.02 2.92 2.01 -0.12 -0.24 115.64 121.97 1r4b s THR 239 Ca 0.14 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1r4b s THR 239 Cb -0.11 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 1r4b s THR 239 CO 0.03 0.55 -0.04 0.00 -0.69 0.00 0.00 174.62 174.47 1r4b s ALA 240 N 0.23 0.26 -0.13 7.40 0.00 -0.11 -1.11 121.76 128.30 1r4b s ALA 240 Ca -0.12 -0.53 -0.03 0.00 0.00 0.00 0.00 51.96 51.28 1r4b s ALA 240 Cb -0.16 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 1r4b s ALA 240 CO 0.06 -0.08 -0.02 -1.64 0.00 0.00 0.00 175.76 174.09 1r4b s MET 241 N -1.18 3.39 -0.12 0.00 -1.94 0.16 -0.24 119.30 119.36 1r4b s MET 241 Ca -0.11 -0.47 0.02 0.00 -1.71 0.00 0.00 55.69 53.43 1r4b s MET 241 Cb -0.08 -2.87 -0.00 0.00 2.01 0.00 0.00 34.83 33.89 1r4b s MET 241 CO -0.00 0.44 -0.19 0.42 -0.01 0.00 0.00 175.02 175.67 1r4b s ILE 242 N -0.16 2.42 -0.17 2.53 1.01 -0.59 -1.07 121.20 125.18 1r4b s ILE 242 Ca 0.04 -0.88 0.12 0.00 0.00 0.00 0.00 60.65 59.93 1r4b s ILE 242 Cb -0.13 -1.98 -0.17 0.00 0.01 0.00 0.00 42.46 40.20 1r4b s ILE 242 CO 0.02 0.54 0.33 0.49 0.00 0.00 0.00 174.94 176.32 1r4b n PHE 243 N 3.71 0.00 -1.35 3.97 3.72 -1.26 -2.54 117.46 123.71 1r4b n PHE 243 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 1r4b n PHE 243 Cb 0.52 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 1r4b n PHE 243 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88