#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r45 s PHE 46 N 0.00 3.39 0.14 -1.42 0.40 -1.26 -4.69 117.98 114.53 1r45 s PHE 46 Ca 0.00 1.14 -0.31 0.00 -0.60 0.00 0.00 56.93 57.16 1r45 s PHE 46 Cb 0.00 -2.96 -0.09 0.00 0.51 0.00 0.00 43.02 40.47 1r45 s PHE 46 CO 0.00 -0.25 1.57 0.99 0.70 0.00 0.00 175.22 178.22 1r45 s THR 47 N 2.22 2.78 -0.24 0.64 2.01 -0.53 -4.63 115.64 117.89 1r45 s THR 47 Ca 0.35 0.51 0.02 0.00 0.31 0.00 0.00 61.69 62.88 1r45 s THR 47 Cb -0.16 -3.32 0.05 0.00 0.01 0.00 0.00 72.50 69.07 1r45 s THR 47 CO 0.11 0.03 -0.12 -0.70 -0.69 0.00 0.00 174.62 173.24 1r45 s GLU 48 N 1.48 2.44 0.16 4.92 2.12 -1.26 0.03 118.70 128.59 1r45 s GLU 48 Ca 0.70 -1.21 -0.30 0.00 0.36 0.00 0.00 54.97 54.52 1r45 s GLU 48 Cb -0.42 -2.83 -0.07 0.00 0.26 0.00 0.00 34.13 31.06 1r45 s GLU 48 CO 0.31 -0.48 1.17 -0.06 -0.54 0.00 0.00 175.26 175.66 1r45 s PHE 49 N 1.16 3.48 0.00 5.30 0.08 -1.26 -4.91 117.98 121.82 1r45 s PHE 49 Ca -0.05 1.45 0.00 0.00 0.12 0.00 0.00 56.93 58.45 1r45 s PHE 49 Cb -0.18 -3.38 0.00 0.00 -0.57 0.00 0.00 43.02 38.88 1r45 s PHE 49 CO -0.07 -1.04 0.76 0.25 -0.10 0.00 0.00 175.22 175.02 1r45 n THR 50 N 2.74 0.56 -3.83 0.64 -2.24 -1.26 -4.64 114.28 106.25 1r45 n THR 50 Ca 0.05 -0.62 -0.13 0.00 -2.27 0.00 0.00 64.05 61.08 1r45 n THR 50 Cb 0.45 0.77 -0.15 0.00 -2.10 0.00 0.00 70.33 69.31 1r45 n THR 50 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1r45 s ASN 51 N -0.56 0.01 0.20 3.42 3.84 -1.26 -5.06 114.94 115.53 1r45 s ASN 51 Ca 0.00 0.04 -0.11 0.00 0.21 0.00 0.00 52.86 53.00 1r45 s ASN 51 Cb 0.00 0.00 0.15 0.00 -0.55 0.00 0.00 41.25 40.85 1r45 s ASN 51 CO 0.00 -0.05 1.86 0.58 -2.79 0.00 0.00 177.10 176.70 1r45 h VAL 52 N 5.51 1.15 -0.17 -5.21 2.07 -1.98 -0.58 116.25 117.03 1r45 h VAL 52 Ca -0.31 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 66.92 1r45 h VAL 52 Cb 1.18 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1r45 h VAL 52 CO 0.49 0.16 0.02 -0.33 0.02 0.00 0.00 177.57 177.94 1r45 h GLU 53 N 0.90 0.08 -0.69 1.57 5.08 -1.99 0.12 114.58 119.66 1r45 h GLU 53 Ca 0.26 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 1r45 h GLU 53 Cb -0.06 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1r45 h GLU 53 CO -0.07 0.06 0.35 0.93 -1.00 0.00 0.00 179.01 179.27 1r45 h GLU 54 N 0.09 0.98 -0.17 2.33 5.08 -1.94 -1.30 114.58 119.65 1r45 h GLU 54 Ca 0.08 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1r45 h GLU 54 Cb 0.08 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1r45 h GLU 54 CO -0.12 0.76 0.11 0.00 -1.00 0.00 0.00 179.01 178.76 1r45 h ALA 55 N 1.17 0.22 -0.66 3.43 0.00 -0.56 -1.38 119.26 121.47 1r45 h ALA 55 Ca 0.24 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1r45 h ALA 55 Cb 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1r45 h ALA 55 CO -0.03 -0.28 0.21 0.87 0.00 0.00 0.00 179.25 180.02 1r45 h LYS 56 N 0.21 1.01 0.34 0.00 1.57 -0.62 0.97 116.57 120.05 1r45 h LYS 56 Ca 0.06 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1r45 h LYS 56 Cb 0.01 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 1r45 h LYS 56 CO -0.01 0.86 -0.20 -0.22 -0.57 0.00 0.00 179.45 179.31 1r45 h LYS 57 N 0.98 -0.50 -0.33 3.15 3.64 -0.85 0.30 116.57 122.96 1r45 h LYS 57 Ca 0.22 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1r45 h LYS 57 Cb 0.27 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1r45 h LYS 57 CO -0.01 -0.33 0.14 2.35 -2.27 0.00 0.00 179.45 179.33 1r45 h TRP 58 N -0.52 0.50 -0.34 1.91 7.01 -1.08 -2.09 115.95 121.35 1r45 h TRP 58 Ca -0.04 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.92 1r45 h TRP 58 Cb 0.42 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.32 1r45 h TRP 58 CO -0.09 0.46 0.17 0.78 -2.79 0.00 0.00 178.44 176.97 1r45 h GLY 59 N 0.39 0.51 1.47 2.65 0.00 -0.66 -2.71 103.07 104.73 1r45 h GLY 59 Ca 0.11 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.12 1r45 h GLY 59 CO -0.01 0.24 -0.05 3.43 0.00 0.00 0.00 176.54 180.15 1r45 h ASN 60 N 0.41 0.62 -0.59 0.19 2.35 -0.32 -0.28 115.58 117.97 1r45 h ASN 60 Ca 0.12 -0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1r45 h ASN 60 Cb 0.10 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 1r45 h ASN 60 CO -0.02 0.73 0.38 0.00 -1.65 0.00 0.00 177.43 176.87 1r45 h ALA 61 N 1.34 0.74 -0.13 -0.83 0.00 -1.26 -1.04 119.26 118.09 1r45 h ALA 61 Ca 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1r45 h ALA 61 Cb 0.46 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1r45 h ALA 61 CO 0.02 0.16 -0.07 1.96 0.00 0.00 0.00 179.25 181.33 1r45 h GLN 62 N 0.78 0.27 -0.93 0.00 1.08 -1.09 -3.13 115.11 112.09 1r45 h GLN 62 Ca 0.22 -0.12 0.13 0.00 -1.45 0.00 0.00 58.65 57.43 1r45 h GLN 62 Cb -0.08 -0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.27 1r45 h GLN 62 CO -0.05 0.62 0.59 -0.92 -0.95 0.00 0.00 178.83 178.11 1r45 h TYR 63 N -0.08 0.94 -0.70 2.96 3.20 -0.90 -0.95 116.97 121.44 1r45 h TYR 63 Ca 0.03 0.03 0.19 0.00 3.14 0.00 0.00 58.73 62.11 1r45 h TYR 63 Cb 0.54 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 1r45 h TYR 63 CO 0.07 0.36 0.49 0.87 -1.64 0.00 0.00 178.16 178.31 1r45 h LYS 64 N 0.81 0.08 -0.00 1.82 1.79 -1.13 -1.90 116.57 118.04 1r45 h LYS 64 Ca 0.46 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.93 1r45 h LYS 64 Cb 0.61 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1r45 h LYS 64 CO -0.22 0.05 -0.26 1.63 -1.08 0.00 0.00 179.45 179.57 1r45 n LYS 65 N -4.37 0.19 -0.03 3.15 5.02 -0.36 -4.44 118.16 117.32 1r45 n LYS 65 Ca 0.14 -0.08 -0.13 0.00 -2.02 0.00 0.00 58.31 56.21 1r45 n LYS 65 Cb 0.71 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.12 1r45 n LYS 65 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1r45 h TYR 66 N 0.20 0.10 -4.60 2.13 0.05 -1.42 -3.48 116.97 109.95 1r45 h TYR 66 Ca 0.00 -0.04 -0.28 0.00 0.05 0.00 0.00 58.73 58.46 1r45 h TYR 66 Cb 0.47 -0.02 0.11 0.00 1.01 0.00 0.00 36.73 38.30 1r45 h TYR 66 CO 0.00 0.66 -0.52 0.41 -1.05 0.00 0.00 178.16 177.66 1r45 n GLY 67 N 0.52 -0.15 3.76 3.88 0.00 -1.26 -4.86 105.19 107.08 1r45 n GLY 67 Ca -0.08 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 1r45 n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r45 s LEU 68 N -5.53 4.08 0.80 0.99 1.43 -1.26 -4.99 118.68 114.19 1r45 s LEU 68 Ca 0.32 2.77 -0.12 0.00 -1.03 0.00 0.00 54.13 56.07 1r45 s LEU 68 Cb -0.14 -4.02 0.07 0.00 0.03 0.00 0.00 46.19 42.13 1r45 s LEU 68 CO 0.54 -1.15 1.11 -0.94 0.23 0.00 0.00 176.35 176.14 1r45 s SER 69 N -0.73 4.52 0.12 2.29 1.04 -1.26 -4.81 113.70 114.86 1r45 s SER 69 Ca 0.62 1.18 -0.23 0.00 0.48 0.00 0.00 55.95 58.01 1r45 s SER 69 Cb -0.40 -1.89 -0.06 0.00 0.10 0.00 0.00 66.02 63.77 1r45 s SER 69 CO 0.51 -1.94 1.69 0.50 0.98 0.00 0.00 173.24 174.98 1r45 h LYS 70 N -1.07 -0.16 -0.64 4.02 3.64 -1.99 0.74 116.57 121.11 1r45 h LYS 70 Ca -0.47 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.91 1r45 h LYS 70 Cb 1.28 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.11 1r45 h LYS 70 CO 0.61 -0.11 0.37 -1.35 -2.27 0.00 0.00 179.45 176.71 1r45 h PRO 71 N -0.17 0.87 -0.36 1.90 0.11 -1.99 -0.13 132.00 132.24 1r45 h PRO 71 Ca 0.06 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 1r45 h PRO 71 Cb 0.25 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 1r45 h PRO 71 CO -0.15 0.62 0.09 0.93 -0.21 0.00 0.00 178.00 179.28 1r45 h GLU 72 N 0.88 0.56 -0.63 1.05 5.08 -1.79 -1.45 114.58 118.28 1r45 h GLU 72 Ca 0.23 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1r45 h GLU 72 Cb -0.02 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1r45 h GLU 72 CO -0.04 0.60 0.32 1.96 -1.00 0.00 0.00 179.01 180.85 1r45 h GLN 73 N 0.42 0.90 -0.45 2.33 4.20 -0.44 -1.37 115.11 120.70 1r45 h GLN 73 Ca 0.11 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1r45 h GLN 73 Cb 0.29 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1r45 h GLN 73 CO -0.00 0.71 0.29 0.93 -0.67 0.00 0.00 178.83 180.09 1r45 h GLU 74 N 0.87 0.60 -0.36 1.46 5.08 -0.88 0.14 114.58 121.48 1r45 h GLU 74 Ca 0.22 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1r45 h GLU 74 Cb 0.09 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1r45 h GLU 74 CO -0.03 0.41 0.18 0.00 -1.00 0.00 0.00 179.01 178.57 1r45 h ALA 75 N 1.15 0.47 -0.44 3.43 0.00 -1.09 -0.22 119.26 122.56 1r45 h ALA 75 Ca 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1r45 h ALA 75 Cb -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1r45 h ALA 75 CO -0.03 0.03 0.15 0.82 0.00 0.00 0.00 179.25 180.22 1r45 h ILE 76 N 0.45 1.21 -0.62 0.00 2.04 -1.05 -0.58 117.51 118.96 1r45 h ILE 76 Ca 0.13 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1r45 h ILE 76 Cb 0.12 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1r45 h ILE 76 CO -0.02 0.25 0.39 0.50 0.00 0.00 0.00 178.15 179.28 1r45 h LYS 77 N 0.58 0.84 -0.32 2.37 3.64 -0.59 0.27 116.57 123.35 1r45 h LYS 77 Ca 0.15 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1r45 h LYS 77 Cb 0.24 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 1r45 h LYS 77 CO -0.01 0.58 0.09 0.35 -2.27 0.00 0.00 179.45 178.19 1r45 h PHE 78 N 0.85 0.17 -0.51 1.91 3.57 -0.80 -1.64 116.94 120.48 1r45 h PHE 78 Ca 0.23 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.80 1r45 h PHE 78 Cb -0.06 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.60 1r45 h PHE 78 CO -0.02 0.06 0.23 -0.92 -2.23 0.00 0.00 178.31 175.43 1r45 h TYR 79 N 0.22 0.42 0.00 0.41 5.03 -0.47 -2.04 116.97 120.55 1r45 h TYR 79 Ca 0.15 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.45 1r45 h TYR 79 Cb 0.14 -0.11 -0.00 0.00 1.55 0.00 0.00 36.73 38.30 1r45 h TYR 79 CO -0.15 0.18 -0.15 1.79 -1.32 0.00 0.00 178.16 178.51 1r45 h THR 80 N 0.45 0.48 -0.54 1.81 1.35 -0.21 -1.45 112.91 114.80 1r45 h THR 80 Ca 0.23 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1r45 h THR 80 Cb 0.19 1.52 -0.03 0.00 -1.73 0.00 0.00 68.15 68.10 1r45 h THR 80 CO -0.19 0.14 0.34 -0.09 -0.25 0.00 0.00 175.52 175.47 1r45 h ARG 81 N 0.00 0.72 -0.51 4.72 2.43 -0.56 -3.41 114.38 117.77 1r45 h ARG 81 Ca -0.00 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.20 1r45 h ARG 81 Cb 0.51 -0.16 -0.18 0.00 -0.42 0.00 0.00 29.97 29.72 1r45 h ARG 81 CO 0.02 0.49 -0.22 0.34 -1.51 0.00 0.00 179.97 179.10 1r45 s ASP 82 N -6.56 -0.80 0.54 -3.80 -1.08 -0.96 -5.04 116.67 98.97 1r45 s ASP 82 Ca -0.09 -0.28 0.24 0.00 -0.52 0.00 0.00 52.55 51.90 1r45 s ASP 82 Cb 0.17 1.14 1.52 0.00 -1.46 0.00 0.00 42.92 44.29 1r45 s ASP 82 CO 0.75 -0.10 2.16 0.00 0.52 0.00 0.00 175.17 178.50 1r45 h ALA 83 N 6.39 1.59 0.00 3.66 0.00 -1.51 -2.04 119.26 127.36 1r45 h ALA 83 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1r45 h ALA 83 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1r45 h ALA 83 CO -0.01 0.07 0.00 0.66 0.00 0.00 0.00 179.25 179.97 1r45 h SER 84 N 0.00 0.00 0.97 0.00 4.64 -1.96 0.18 113.55 117.38 1r45 h SER 84 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1r45 h SER 84 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1r45 h SER 84 CO 0.01 0.00 -0.11 0.11 -0.87 0.00 0.00 176.83 175.96 1r45 h LYS 85 N 0.00 0.00 0.00 4.77 1.79 -1.72 -0.82 116.57 120.59 1r45 h LYS 85 Ca 0.00 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.24 1r45 h LYS 85 Cb 0.16 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.78 1r45 h LYS 85 CO 0.00 0.11 -1.81 -0.89 -1.08 0.00 0.00 179.45 175.78 1r45 n ILE 86 N -3.26 0.80 -0.01 1.86 5.41 -0.23 -4.50 119.36 119.44 1r45 n ILE 86 Ca 0.00 -0.24 -0.06 0.00 1.00 0.00 0.00 62.75 63.45 1r45 n ILE 86 Cb 0.37 -1.45 0.12 0.00 -0.71 0.00 0.00 39.64 37.97 1r45 n ILE 86 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1r45 h ASN 87 N -0.34 0.59 0.09 4.38 2.35 -0.83 -1.85 115.58 119.98 1r45 h ASN 87 Ca -0.35 -0.24 0.01 0.00 -0.55 0.00 0.00 56.30 55.17 1r45 h ASN 87 Cb 1.38 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 39.54 1r45 h ASN 87 CO -0.16 0.90 -0.47 1.23 -1.65 0.00 0.00 177.43 177.27 1r45 h GLY 88 N 1.04 -1.17 1.11 2.83 0.00 -1.32 0.12 103.07 105.68 1r45 h GLY 88 Ca 0.05 0.64 0.02 0.00 0.00 0.00 0.00 47.33 48.04 1r45 h GLY 88 CO 0.07 -0.29 0.57 -2.55 0.00 0.00 0.00 176.54 174.34 1r45 h PRO 89 N -0.66 1.10 -0.62 4.80 0.11 -1.72 -0.48 132.00 134.52 1r45 h PRO 89 Ca -0.00 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 1r45 h PRO 89 Cb 0.67 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 1r45 h PRO 89 CO -0.26 0.73 0.32 -0.07 -0.21 0.00 0.00 178.00 178.50 1r45 h LEU 90 N 1.13 0.80 -0.43 2.35 3.38 -0.92 -1.17 115.31 120.46 1r45 h LEU 90 Ca 0.32 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 58.00 1r45 h LEU 90 Cb -0.08 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 1r45 h LEU 90 CO -0.08 0.69 -0.66 0.03 0.09 0.00 0.00 178.44 178.52 1r45 h ARG 91 N 0.85 0.51 0.00 1.13 3.08 -0.55 -1.71 114.38 117.69 1r45 h ARG 91 Ca 0.22 -0.37 -0.09 0.00 0.07 0.00 0.00 59.98 59.81 1r45 h ARG 91 Cb 0.09 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1r45 h ARG 91 CO -0.03 1.00 -0.41 0.00 -1.07 0.00 0.00 179.97 179.46 1r45 h ALA 92 N 0.91 1.28 -0.62 0.04 0.00 -0.82 -2.63 119.26 117.41 1r45 h ALA 92 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1r45 h ALA 92 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1r45 h ALA 92 CO 0.12 0.51 0.00 0.09 0.00 0.00 0.00 179.25 179.97 1r45 n ASN 93 N -3.98 5.19 -4.40 0.00 3.02 -0.47 -4.95 115.26 109.67 1r45 n ASN 93 Ca -0.02 -2.65 -0.36 0.00 -0.03 0.00 0.00 54.58 51.53 1r45 n ASN 93 Cb 0.45 -0.63 -0.09 0.00 -0.61 0.00 0.00 39.78 38.90 1r45 n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r45 n GLN 94 N 0.94 -1.01 -0.22 3.52 6.02 -0.99 0.06 117.38 125.70 1r45 n GLN 94 Ca 0.27 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 1r45 n GLN 94 Cb 1.02 -4.13 0.00 0.00 1.02 0.00 0.00 30.24 28.16 1r45 n GLN 94 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r45 n GLY 95 N -1.91 2.30 3.55 1.08 0.00 -0.67 -4.94 105.19 104.61 1r45 n GLY 95 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 1r45 n GLY 95 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1r45 s ASN 96 N -3.60 4.69 0.00 1.61 2.47 0.11 -4.78 114.94 115.44 1r45 s ASN 96 Ca 0.00 0.20 0.00 0.00 0.42 0.00 0.00 52.86 53.48 1r45 s ASN 96 Cb 0.00 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.27 1r45 s ASN 96 CO 0.00 -2.97 0.68 -1.84 -3.72 0.00 0.00 177.10 169.25 1r45 n GLU 97 N 8.97 0.82 0.00 0.43 0.28 -1.26 -1.75 120.64 128.13 1r45 n GLU 97 Ca 0.36 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.36 1r45 n GLU 97 Cb 0.49 -1.20 0.00 0.00 1.43 0.00 0.00 31.44 32.16 1r45 n GLU 97 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1r45 n ASN 98 N 0.41 0.46 -0.91 -1.84 5.03 -1.26 -4.60 115.26 112.55 1r45 n ASN 98 Ca 0.00 -0.76 0.10 0.00 0.87 0.00 0.00 54.58 54.79 1r45 n ASN 98 Cb 0.34 0.28 0.13 0.00 -1.02 0.00 0.00 39.78 39.51 1r45 n ASN 98 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1r45 n GLY 99 N 0.28 1.06 3.82 7.41 0.00 -0.72 -4.97 105.19 112.07 1r45 n GLY 99 Ca 0.00 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 1r45 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r45 s LEU 100 N -1.59 4.24 0.56 0.99 1.43 -1.26 -4.99 118.68 118.06 1r45 s LEU 100 Ca 0.28 1.47 -0.19 0.00 -1.03 0.00 0.00 54.13 54.66 1r45 s LEU 100 Cb 0.18 -3.86 -0.07 0.00 0.03 0.00 0.00 46.19 42.48 1r45 s LEU 100 CO 0.27 -0.08 0.81 -2.65 0.23 0.00 0.00 176.35 174.94 1r45 n PRO 101 N 0.30 0.83 0.22 1.29 -0.02 -1.26 -4.71 135.00 131.65 1r45 n PRO 101 Ca 0.01 0.32 0.09 0.00 -2.02 0.00 0.00 63.50 61.89 1r45 n PRO 101 Cb 0.52 -1.97 0.52 0.00 -0.02 0.00 0.00 33.50 32.54 1r45 n PRO 101 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r45 h ALA 102 N 0.57 1.17 -0.07 3.55 0.00 -1.99 -0.27 119.26 122.22 1r45 h ALA 102 Ca -0.47 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.05 1r45 h ALA 102 Cb 1.37 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1r45 h ALA 102 CO 0.50 0.30 -0.71 0.38 0.00 0.00 0.00 179.25 179.72 1r45 h ASP 103 N 0.00 0.43 -0.03 0.00 2.03 -2.00 -2.62 116.42 114.23 1r45 h ASP 103 Ca -0.00 -0.28 -0.21 0.00 -0.73 0.00 0.00 57.03 55.81 1r45 h ASP 103 Cb 0.61 -0.13 0.02 0.00 -0.83 0.00 0.00 39.33 39.00 1r45 h ASP 103 CO 0.03 1.01 -0.79 0.40 -1.03 0.00 0.00 179.24 178.86 1r45 h ILE 104 N 0.25 1.34 -0.78 4.15 1.08 -1.79 -3.08 117.51 118.68 1r45 h ILE 104 Ca -0.03 -2.10 0.07 0.00 -0.39 0.00 0.00 64.86 62.41 1r45 h ILE 104 Cb 1.28 2.40 -0.06 0.00 -3.07 0.00 0.00 36.82 37.36 1r45 h ILE 104 CO 0.12 0.64 0.46 0.25 -0.69 0.00 0.00 178.15 178.92 1r45 h LEU 105 N 0.19 0.69 -0.69 1.44 5.85 -1.08 0.14 115.31 121.85 1r45 h LEU 105 Ca -0.09 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 1r45 h LEU 105 Cb 1.46 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 1r45 h LEU 105 CO 0.16 0.43 0.03 -0.61 -0.34 0.00 0.00 178.44 178.11 1r45 h GLN 106 N 0.82 1.04 -0.36 1.25 5.75 -1.50 0.26 115.11 122.38 1r45 h GLN 106 Ca 0.35 -0.31 -0.05 0.00 -0.15 0.00 0.00 58.65 58.49 1r45 h GLN 106 Cb 0.23 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 1r45 h GLN 106 CO -0.20 1.00 0.01 0.87 -2.65 0.00 0.00 178.83 177.86 1r45 h LYS 107 N 0.96 0.62 -0.81 1.69 1.57 -1.31 -2.69 116.57 116.60 1r45 h LYS 107 Ca 0.18 -0.19 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1r45 h LYS 107 Cb 0.51 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.71 1r45 h LYS 107 CO 0.02 0.73 0.52 0.28 -0.57 0.00 0.00 179.45 180.43 1r45 h VAL 108 N 0.44 1.13 -0.90 0.50 2.07 -0.43 -0.23 116.25 118.84 1r45 h VAL 108 Ca 0.10 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1r45 h VAL 108 Cb 0.44 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 1r45 h VAL 108 CO 0.02 0.19 0.51 0.11 0.02 0.00 0.00 177.57 178.41 1r45 h LYS 109 N 1.02 1.24 -0.19 1.57 1.57 -0.85 -0.45 116.57 120.48 1r45 h LYS 109 Ca 0.32 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1r45 h LYS 109 Cb -0.00 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 1r45 h LYS 109 CO -0.11 0.90 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.55 1r45 h LEU 110 N 1.25 0.38 -0.47 2.94 3.38 -1.07 -1.85 115.31 119.87 1r45 h LEU 110 Ca 0.32 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1r45 h LEU 110 Cb 0.00 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1r45 h LEU 110 CO -0.05 0.66 0.25 0.40 0.09 0.00 0.00 178.44 179.78 1r45 h ILE 111 N 0.09 1.17 -0.77 1.22 2.04 -0.90 -1.60 117.51 118.77 1r45 h ILE 111 Ca 0.05 -0.46 0.08 0.00 1.00 0.00 0.00 64.86 65.54 1r45 h ILE 111 Cb 0.49 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 37.11 1r45 h ILE 111 CO 0.02 0.19 0.43 0.44 0.00 0.00 0.00 178.15 179.22 1r45 h ASP 112 N 0.62 0.61 -0.47 1.72 3.32 -1.04 -2.10 116.42 119.07 1r45 h ASP 112 Ca 0.17 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 1r45 h ASP 112 Cb 0.07 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1r45 h ASP 112 CO -0.03 0.36 0.07 1.56 -1.72 0.00 0.00 179.24 179.48 1r45 h GLN 113 N 0.73 0.86 -0.23 3.56 4.20 -0.76 -2.96 115.11 120.51 1r45 h GLN 113 Ca 0.36 -0.21 0.07 0.00 0.06 0.00 0.00 58.65 58.93 1r45 h GLN 113 Cb 0.31 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1r45 h GLN 113 CO -0.23 0.81 0.21 0.66 -0.67 0.00 0.00 178.83 179.61 1r45 h SER 114 N 0.81 0.00 0.55 1.46 4.64 -0.58 -1.62 113.55 118.80 1r45 h SER 114 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1r45 h SER 114 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1r45 h SER 114 CO 0.01 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.46 1r45 n PHE 115 N -4.02 0.29 0.29 4.77 3.72 -1.12 -1.46 117.46 119.94 1r45 n PHE 115 Ca 0.03 0.12 0.19 0.00 -0.05 0.00 0.00 57.45 57.73 1r45 n PHE 115 Cb 0.35 -0.69 0.98 0.00 -0.94 0.00 0.00 39.48 39.18 1r45 n PHE 115 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1r45 h SER 116 N 0.00 0.00 -0.00 4.37 0.87 -1.49 -2.71 113.55 114.59 1r45 h SER 116 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1r45 h SER 116 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1r45 h SER 116 CO 0.00 0.00 -0.33 0.29 -0.53 0.00 0.00 176.83 176.26 1r45 n LYS 117 N -3.38 3.36 -3.99 2.24 5.02 -0.53 -4.94 118.16 115.94 1r45 n LYS 117 Ca -0.01 -0.22 -0.31 0.00 -2.02 0.00 0.00 58.31 55.75 1r45 n LYS 117 Cb 0.21 -0.97 -0.15 0.00 -0.02 0.00 0.00 35.03 34.10 1r45 n LYS 117 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1r45 s MET 118 N -1.63 1.89 0.06 1.97 -1.94 -1.02 -4.63 119.30 114.00 1r45 s MET 118 Ca 0.05 -1.07 0.04 0.00 -1.71 0.00 0.00 55.69 53.00 1r45 s MET 118 Cb 0.07 -2.65 -0.03 0.00 2.01 0.00 0.00 34.83 34.23 1r45 s MET 118 CO 0.31 -0.56 -0.12 0.15 -0.01 0.00 0.00 175.02 174.79 1r45 s LYS 119 N 1.30 0.76 0.15 2.03 -0.14 -1.13 -1.01 119.74 121.70 1r45 s LYS 119 Ca -0.06 -0.84 -0.30 0.00 -1.36 0.00 0.00 55.97 53.41 1r45 s LYS 119 Cb -0.19 -0.72 -0.08 0.00 -1.68 0.00 0.00 37.83 35.17 1r45 s LYS 119 CO -0.06 0.16 1.28 -1.64 -0.76 0.00 0.00 175.35 174.32 1r45 s MET 120 N -1.51 4.41 0.00 1.68 -1.94 0.77 -4.82 119.30 117.89 1r45 s MET 120 Ca -0.03 1.96 0.27 0.00 -1.71 0.00 0.00 55.69 56.18 1r45 s MET 120 Cb -0.09 -3.25 0.86 0.00 2.01 0.00 0.00 34.83 34.36 1r45 s MET 120 CO 0.02 -0.25 1.65 -0.35 -0.01 0.00 0.00 175.02 176.08 1r45 n PRO 121 N 3.12 0.18 -3.58 2.03 -0.04 -1.26 -0.06 135.00 135.38 1r45 n PRO 121 Ca 0.07 -0.08 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1r45 n PRO 121 Cb 0.44 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.36 1r45 n PRO 121 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1r45 s GLN 122 N -2.87 1.20 0.20 0.54 -2.07 -1.26 -4.81 119.66 110.58 1r45 s GLN 122 Ca 0.16 -0.66 -0.32 0.00 -1.82 0.00 0.00 55.36 52.72 1r45 s GLN 122 Cb 0.18 0.52 -0.13 0.00 -1.09 0.00 0.00 33.01 32.50 1r45 s GLN 122 CO 0.60 -0.50 1.64 0.09 -1.32 0.00 0.00 175.29 175.80 1r45 n ASN 123 N -0.30 3.59 -3.83 12.60 3.02 -1.26 -3.63 115.26 125.45 1r45 n ASN 123 Ca -0.15 1.08 -0.12 0.00 -0.03 0.00 0.00 54.58 55.36 1r45 n ASN 123 Cb 0.64 -1.51 -0.09 0.00 -0.61 0.00 0.00 39.78 38.20 1r45 n ASN 123 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1r45 s ILE 124 N 0.90 0.07 -0.14 2.41 2.07 0.63 -1.45 121.20 125.69 1r45 s ILE 124 Ca 0.75 -0.58 -0.15 0.00 -1.41 0.00 0.00 60.65 59.27 1r45 s ILE 124 Cb -0.58 -0.49 -0.05 0.00 0.13 0.00 0.00 42.46 41.47 1r45 s ILE 124 CO 0.37 -0.32 0.33 -0.63 -1.91 0.00 0.00 174.94 172.79 1r45 s ILE 125 N -1.28 5.27 0.16 2.00 -1.09 0.10 -0.47 121.20 125.89 1r45 s ILE 125 Ca -0.14 0.64 0.08 0.00 -2.23 0.00 0.00 60.65 59.01 1r45 s ILE 125 Cb -0.06 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1r45 s ILE 125 CO 0.02 0.40 -0.18 -0.76 -1.23 0.00 0.00 174.94 173.20 1r45 s LEU 126 N 0.34 2.44 0.09 2.97 1.43 -0.24 -4.74 118.68 120.98 1r45 s LEU 126 Ca 0.19 -0.87 0.07 0.00 -1.03 0.00 0.00 54.13 52.49 1r45 s LEU 126 Cb -0.14 -0.79 -0.03 0.00 0.03 0.00 0.00 46.19 45.26 1r45 s LEU 126 CO 0.06 -0.05 -0.17 -0.36 0.23 0.00 0.00 176.35 176.05 1r45 s PHE 127 N -2.12 1.49 -0.06 0.29 0.08 -0.29 0.28 117.98 117.65 1r45 s PHE 127 Ca 0.16 -0.45 -0.06 0.00 0.12 0.00 0.00 56.93 56.70 1r45 s PHE 127 Cb -0.05 -0.82 0.02 0.00 -0.57 0.00 0.00 43.02 41.59 1r45 s PHE 127 CO 0.06 0.13 0.16 0.50 -0.10 0.00 0.00 175.22 175.98 1r45 s ARG 128 N -1.91 0.21 0.05 0.44 3.52 -0.29 0.15 118.95 121.12 1r45 s ARG 128 Ca 0.03 0.20 -0.01 0.00 -0.13 0.00 0.00 55.73 55.81 1r45 s ARG 128 Cb -0.10 0.10 -0.04 0.00 -1.56 0.00 0.00 34.95 33.35 1r45 s ARG 128 CO 0.03 -0.03 0.22 0.20 -0.81 0.00 0.00 175.30 174.92 1r45 s GLY 129 N 0.01 2.19 0.05 8.12 0.00 -1.26 -0.73 107.32 115.71 1r45 s GLY 129 Ca -0.01 -0.79 -0.03 0.00 0.00 0.00 0.00 44.72 43.90 1r45 s GLY 129 CO 0.00 -0.73 0.02 0.99 0.00 0.00 0.00 173.10 173.38 1r45 s ASP 130 N -2.35 0.38 0.42 1.64 1.01 0.61 -4.99 116.67 113.39 1r45 s ASP 130 Ca 0.34 -0.86 0.08 0.00 0.71 0.00 0.00 52.55 52.82 1r45 s ASP 130 Cb -0.13 0.22 0.00 0.00 1.01 0.00 0.00 42.92 44.02 1r45 s ASP 130 CO 0.25 -0.59 0.53 -1.81 0.21 0.00 0.00 175.17 173.76 1r45 s ASP 131 N -2.72 5.55 0.61 0.27 1.01 -1.26 -2.00 116.67 118.12 1r45 s ASP 131 Ca 0.04 -0.47 0.30 0.00 0.71 0.00 0.00 52.55 53.13 1r45 s ASP 131 Cb 0.05 -0.67 1.71 0.00 1.01 0.00 0.00 42.92 45.03 1r45 s ASP 131 CO -0.09 -0.72 2.09 -0.65 0.21 0.00 0.00 175.17 176.01 1r45 h PRO 132 N 0.73 0.00 -0.26 8.23 0.11 -1.96 -0.86 132.00 137.99 1r45 h PRO 132 Ca -0.41 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.78 1r45 h PRO 132 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1r45 h PRO 132 CO 0.48 0.00 0.23 0.00 -0.21 0.00 0.00 178.00 178.49 1r45 h ALA 133 N 1.71 2.06 -0.89 -0.75 0.00 -1.88 -0.45 119.26 119.06 1r45 h ALA 133 Ca 0.08 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.15 1r45 h ALA 133 Cb 0.52 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1r45 h ALA 133 CO -0.00 -0.36 0.58 -0.92 0.00 0.00 0.00 179.25 178.55 1r45 h TYR 134 N 0.00 0.68 0.00 0.00 3.20 -1.54 -1.41 116.97 117.89 1r45 h TYR 134 Ca 0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1r45 h TYR 134 Cb 0.58 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1r45 h TYR 134 CO 0.00 0.21 0.00 1.28 -1.64 0.00 0.00 178.16 178.01 1r45 n LEU 135 N -4.55 0.00 0.00 2.82 4.77 -0.18 -5.01 117.00 114.86 1r45 n LEU 135 Ca 0.18 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1r45 n LEU 135 Cb 0.59 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1r45 n LEU 135 CO 0.30 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1r45 n GLY 136 N 1.03 2.20 0.25 -0.72 0.00 -0.53 -4.59 105.19 102.82 1r45 n GLY 136 Ca 0.07 -1.93 0.08 0.00 0.00 0.00 0.00 46.02 44.23 1r45 n GLY 136 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r45 h PRO 137 N 0.00 0.00 0.00 1.61 0.13 -1.92 -0.50 132.00 131.32 1r45 h PRO 137 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1r45 h PRO 137 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1r45 h PRO 137 CO 0.00 0.10 0.00 -0.85 -0.23 0.00 0.00 178.00 177.02 1r45 n GLU 138 N -4.33 0.17 0.00 0.86 0.00 -1.26 -3.74 120.64 112.34 1r45 n GLU 138 Ca -0.03 0.13 0.00 0.00 0.00 0.00 0.00 57.16 57.26 1r45 n GLU 138 Cb 0.17 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.11 1r45 n GLU 138 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1r45 n PHE 139 N -1.37 0.00 -0.16 -1.84 3.72 -0.51 -4.83 117.46 112.48 1r45 n PHE 139 Ca 0.07 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.64 1r45 n PHE 139 Cb 0.18 0.00 0.53 0.00 -0.94 0.00 0.00 39.48 39.25 1r45 n PHE 139 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1r45 h GLN 140 N 0.00 0.34 -0.53 -1.08 3.07 -1.23 0.48 115.11 116.17 1r45 h GLN 140 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 1r45 h GLN 140 Cb 0.50 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.98 1r45 h GLN 140 CO 0.00 0.23 0.00 -0.25 0.09 0.00 0.00 178.83 178.90 1r45 n ASP 141 N -4.46 3.64 0.00 0.06 8.00 -1.26 -4.37 116.55 118.16 1r45 n ASP 141 Ca 0.15 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.65 1r45 n ASP 141 Cb 0.57 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 1r45 n ASP 141 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1r45 n LYS 142 N 1.55 1.56 0.16 -1.24 5.02 0.03 -4.79 118.16 120.46 1r45 n LYS 142 Ca 0.22 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.55 1r45 n LYS 142 Cb 0.61 -0.86 0.16 0.00 -0.02 0.00 0.00 35.03 34.91 1r45 n LYS 142 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1r45 h ILE 143 N 0.00 0.82 -3.25 -0.18 6.09 -1.41 -3.43 117.51 116.15 1r45 h ILE 143 Ca 0.00 -1.91 -0.60 0.00 -1.37 0.00 0.00 64.86 60.98 1r45 h ILE 143 Cb 0.00 2.22 -0.12 0.00 0.47 0.00 0.00 36.82 39.40 1r45 h ILE 143 CO 0.00 0.43 -0.47 -0.76 -3.07 0.00 0.00 178.15 174.28 1r45 s LEU 144 N -6.64 4.22 1.03 2.19 1.43 -1.26 -0.30 118.68 119.35 1r45 s LEU 144 Ca 0.03 0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 53.28 1r45 s LEU 144 Cb 0.09 -2.13 0.21 0.00 0.03 0.00 0.00 46.19 44.38 1r45 s LEU 144 CO 0.72 0.18 1.08 0.20 0.23 0.00 0.00 176.35 178.75 1r45 s ASN 145 N 0.33 2.28 0.45 2.29 0.01 0.81 -4.81 114.94 116.30 1r45 s ASN 145 Ca 0.09 1.30 0.14 0.00 -0.71 0.00 0.00 52.86 53.69 1r45 s ASN 145 Cb -0.11 -1.99 1.01 0.00 0.41 0.00 0.00 41.25 40.56 1r45 s ASN 145 CO -0.01 -3.36 2.00 0.50 -1.51 0.00 0.00 177.10 174.73 1r45 h LYS 146 N -2.05 0.04 -0.43 -0.60 1.63 -1.99 -2.24 116.57 110.93 1r45 h LYS 146 Ca -0.56 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.24 1r45 h LYS 146 Cb 1.33 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.95 1r45 h LYS 146 CO 0.55 0.19 0.00 -0.40 -3.45 0.00 0.00 179.45 176.34 1r45 n ASP 147 N -4.35 1.70 0.00 4.20 5.68 -1.26 -4.89 116.55 117.63 1r45 n ASP 147 Ca -0.02 -2.09 0.00 0.00 -0.50 0.00 0.00 54.79 52.17 1r45 n ASP 147 Cb 0.22 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 1r45 n ASP 147 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1r45 n GLY 148 N 0.68 1.74 3.90 6.12 0.00 -0.84 -5.03 105.19 111.76 1r45 n GLY 148 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1r45 n GLY 148 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r45 s THR 149 N -3.27 3.82 0.08 2.61 -4.23 -1.26 -4.65 115.64 108.75 1r45 s THR 149 Ca 0.00 0.27 -0.30 0.00 -1.18 0.00 0.00 61.69 60.48 1r45 s THR 149 Cb 0.00 -3.54 -0.06 0.00 1.34 0.00 0.00 72.50 70.24 1r45 s THR 149 CO 0.00 -0.62 1.14 -0.63 -0.54 0.00 0.00 174.62 173.96 1r45 s ILE 150 N -3.11 4.13 -0.24 2.99 -1.09 -0.11 -0.14 121.20 123.63 1r45 s ILE 150 Ca 0.55 1.60 -0.29 0.00 -2.23 0.00 0.00 60.65 60.28 1r45 s ILE 150 Cb -0.11 -4.02 -0.02 0.00 -1.58 0.00 0.00 42.46 36.73 1r45 s ILE 150 CO 0.48 0.16 1.54 0.21 -1.23 0.00 0.00 174.94 176.10 1r45 s ASN 151 N 0.76 6.46 0.12 3.58 3.84 0.59 -4.77 114.94 125.51 1r45 s ASN 151 Ca 0.55 1.53 -0.16 0.00 0.21 0.00 0.00 52.86 54.99 1r45 s ASN 151 Cb -0.28 -2.53 -0.03 0.00 -0.55 0.00 0.00 41.25 37.85 1r45 s ASN 151 CO 0.30 -1.21 1.56 0.11 -2.79 0.00 0.00 177.10 175.08 1r45 h LYS 152 N 10.35 0.64 -0.04 0.43 1.57 -1.93 0.34 116.57 127.93 1r45 h LYS 152 Ca -0.32 -0.20 -0.17 0.00 -1.87 0.00 0.00 60.65 58.09 1r45 h LYS 152 Cb 1.14 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1r45 h LYS 152 CO 1.01 0.74 -0.74 1.79 -0.57 0.00 0.00 179.45 181.68 1r45 h THR 153 N 0.46 1.43 -0.25 -0.16 1.35 -1.99 -2.27 112.91 111.47 1r45 h THR 153 Ca 0.10 -2.27 -0.11 0.00 -0.55 0.00 0.00 66.41 63.58 1r45 h THR 153 Cb 0.44 2.21 -0.01 0.00 -1.73 0.00 0.00 68.15 69.06 1r45 h THR 153 CO 0.02 0.67 -0.31 0.58 -0.25 0.00 0.00 175.52 176.23 1r45 h VAL 154 N 0.16 1.28 -0.35 6.82 2.07 -1.87 -2.22 116.25 122.14 1r45 h VAL 154 Ca -0.03 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 66.11 1r45 h VAL 154 Cb 1.30 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 1r45 h VAL 154 CO 0.11 0.44 0.23 0.15 0.02 0.00 0.00 177.57 178.53 1r45 h PHE 155 N 0.45 0.40 -0.13 1.57 3.57 -0.59 0.93 116.94 123.14 1r45 h PHE 155 Ca 0.06 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 1r45 h PHE 155 Cb 0.76 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1r45 h PHE 155 CO 0.03 0.25 -0.29 0.93 -2.23 0.00 0.00 178.31 177.00 1r45 h GLU 156 N 0.43 0.24 -0.28 1.11 4.39 -0.83 -0.03 114.58 119.61 1r45 h GLU 156 Ca 0.13 -0.09 -0.19 0.00 0.34 0.00 0.00 59.36 59.56 1r45 h GLU 156 Cb 0.01 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1r45 h GLU 156 CO -0.03 0.51 -0.56 1.96 -1.16 0.00 0.00 179.01 179.74 1r45 h GLN 157 N 0.22 0.87 -0.55 2.33 4.20 -0.86 -2.19 115.11 119.13 1r45 h GLN 157 Ca 0.03 -0.56 0.03 0.00 0.06 0.00 0.00 58.65 58.21 1r45 h GLN 157 Cb 0.62 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.44 1r45 h GLN 157 CO 0.05 1.20 0.32 0.28 -0.67 0.00 0.00 178.83 180.00 1r45 h VAL 158 N 0.65 1.04 -0.70 -0.54 2.07 -0.44 -2.18 116.25 116.15 1r45 h VAL 158 Ca 0.01 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 1r45 h VAL 158 Cb 1.17 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1r45 h VAL 158 CO 0.12 0.12 0.33 0.11 0.02 0.00 0.00 177.57 178.27 1r45 h LYS 159 N 0.64 0.99 -0.85 1.57 1.57 -0.93 -0.21 116.57 119.34 1r45 h LYS 159 Ca 0.23 -0.13 0.06 0.00 -1.87 0.00 0.00 60.65 58.94 1r45 h LYS 159 Cb 0.05 -0.18 -0.06 0.00 0.08 0.00 0.00 32.23 32.11 1r45 h LYS 159 CO -0.11 0.76 0.52 0.00 -0.57 0.00 0.00 179.45 180.05 1r45 h ALA 160 N 1.38 1.17 0.00 3.86 0.00 -0.84 0.14 119.26 124.98 1r45 h ALA 160 Ca 0.24 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1r45 h ALA 160 Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1r45 h ALA 160 CO -0.03 0.25 -0.77 0.87 0.00 0.00 0.00 179.25 179.57 1r45 h LYS 161 N 0.94 0.00 0.00 0.00 1.79 -0.78 -3.41 116.57 115.11 1r45 h LYS 161 Ca 0.37 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.77 1r45 h LYS 161 Cb 0.19 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1r45 h LYS 161 CO -0.18 0.77 -1.27 1.19 -1.08 0.00 0.00 179.45 178.88 1r45 n PHE 162 N -3.32 0.00 -2.50 -1.35 3.01 -0.16 -4.93 117.46 108.21 1r45 n PHE 162 Ca 0.01 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.05 1r45 n PHE 162 Cb 0.83 -0.19 -0.04 0.00 -0.01 0.00 0.00 39.48 40.08 1r45 n PHE 162 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1r45 s LEU 163 N -4.61 4.44 -1.49 4.37 2.96 0.48 -3.21 118.68 121.62 1r45 s LEU 163 Ca -0.03 2.03 -0.12 0.00 -0.22 0.00 0.00 54.13 55.79 1r45 s LEU 163 Cb 0.01 -3.59 0.07 0.00 0.50 0.00 0.00 46.19 43.18 1r45 s LEU 163 CO 0.14 -0.31 0.98 0.29 -1.32 0.00 0.00 176.35 176.14 1r45 n LYS 164 N 2.99 -5.91 -4.14 1.98 5.02 0.18 -4.91 118.16 113.37 1r45 n LYS 164 Ca 0.05 0.66 -0.12 0.00 -2.02 0.00 0.00 58.31 56.88 1r45 n LYS 164 Cb 0.47 -5.58 -0.11 0.00 -0.02 0.00 0.00 35.03 29.79 1r45 n LYS 164 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1r45 s LYS 165 N -6.48 0.75 0.65 1.97 1.02 -1.20 -4.96 119.74 111.49 1r45 s LYS 165 Ca 0.62 -1.13 -0.09 0.00 0.02 0.00 0.00 55.97 55.38 1r45 s LYS 165 Cb -0.30 -0.29 0.01 0.00 -0.52 0.00 0.00 37.83 36.72 1r45 s LYS 165 CO 0.77 0.02 1.02 0.34 -0.92 0.00 0.00 175.35 176.57 1r45 s ASP 166 N -2.50 5.60 -0.02 2.83 2.15 -1.26 -1.98 116.67 121.49 1r45 s ASP 166 Ca 0.04 1.02 -0.18 0.00 0.43 0.00 0.00 52.55 53.86 1r45 s ASP 166 Cb -0.01 -1.92 0.03 0.00 -0.30 0.00 0.00 42.92 40.72 1r45 s ASP 166 CO -0.02 -1.17 0.38 -0.60 -0.17 0.00 0.00 175.17 173.58 1r45 s ARG 167 N -5.20 0.74 -0.07 4.34 3.52 -0.09 -4.93 118.95 117.27 1r45 s ARG 167 Ca 0.56 -0.10 0.03 0.00 -0.13 0.00 0.00 55.73 56.09 1r45 s ARG 167 Cb -0.11 0.34 0.01 0.00 -1.56 0.00 0.00 34.95 33.62 1r45 s ARG 167 CO 0.50 -0.21 -0.16 0.99 -0.81 0.00 0.00 175.30 175.60 1r45 s THR 168 N -1.28 1.43 -0.20 4.11 2.01 -1.26 -1.34 115.64 119.11 1r45 s THR 168 Ca -0.13 -0.66 -0.11 0.00 0.31 0.00 0.00 61.69 61.10 1r45 s THR 168 Cb -0.04 -1.27 -0.05 0.00 0.01 0.00 0.00 72.50 71.15 1r45 s THR 168 CO 0.05 0.42 0.18 -0.70 -0.69 0.00 0.00 174.62 173.88 1r45 s GLU 169 N 0.48 4.18 0.11 4.92 2.56 -0.58 -4.97 118.70 125.40 1r45 s GLU 169 Ca -0.14 -0.16 0.01 0.00 0.00 0.00 0.00 54.97 54.68 1r45 s GLU 169 Cb -0.16 -3.45 -0.20 0.00 2.00 0.00 0.00 34.13 32.32 1r45 s GLU 169 CO 0.05 0.22 1.24 1.88 -0.56 0.00 0.00 175.26 178.09 1r45 h TYR 170 N 6.88 0.28 -4.44 5.30 0.05 -1.90 0.15 116.97 123.29 1r45 h TYR 170 Ca -0.40 -0.19 -0.46 0.00 0.05 0.00 0.00 58.73 57.72 1r45 h TYR 170 Cb 1.16 -0.02 0.12 0.00 1.01 0.00 0.00 36.73 39.00 1r45 h TYR 170 CO 0.61 1.12 0.38 0.20 -1.05 0.00 0.00 178.16 179.41 1r45 s GLY 171 N -4.64 1.61 0.76 3.88 0.00 -1.26 -4.01 107.32 103.66 1r45 s GLY 171 Ca -0.02 -0.69 -0.11 0.00 0.00 0.00 0.00 44.72 43.89 1r45 s GLY 171 CO 0.85 -0.15 1.10 -0.19 0.00 0.00 0.00 173.10 174.71 1r45 s TYR 172 N -3.54 2.50 -0.39 1.90 2.02 -1.26 -3.98 117.35 114.61 1r45 s TYR 172 Ca 0.64 1.57 -0.09 0.00 -0.37 0.00 0.00 57.07 58.83 1r45 s TYR 172 Cb -0.11 -3.10 0.06 0.00 -0.40 0.00 0.00 41.96 38.40 1r45 s TYR 172 CO 0.51 -1.88 0.20 0.42 -1.57 0.00 0.00 175.55 173.23 1r45 s ILE 173 N -2.76 4.17 -0.13 2.71 1.01 -0.92 -4.93 121.20 120.35 1r45 s ILE 173 Ca 0.63 -1.21 -0.27 0.00 0.00 0.00 0.00 60.65 59.80 1r45 s ILE 173 Cb -0.18 -3.45 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 1r45 s ILE 173 CO 0.53 -0.35 0.89 -0.44 0.00 0.00 0.00 174.94 175.57 1r45 s SER 174 N 1.77 7.08 0.40 3.58 0.01 -1.26 -1.02 113.70 124.27 1r45 s SER 174 Ca 0.02 1.33 0.04 0.00 1.31 0.00 0.00 55.95 58.64 1r45 s SER 174 Cb -0.21 -2.49 -0.03 0.00 0.21 0.00 0.00 66.02 63.50 1r45 s SER 174 CO 0.03 -0.38 0.11 0.42 0.41 0.00 0.00 173.24 173.84 1r45 s THR 175 N 1.88 0.71 0.13 1.44 -4.23 -0.28 -4.76 115.64 110.54 1r45 s THR 175 Ca 0.42 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.00 1r45 s THR 175 Cb -0.18 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 1r45 s THR 175 CO 0.16 0.00 -0.14 -0.55 -0.54 0.00 0.00 174.62 173.54 1r45 s SER 176 N -3.60 2.09 0.57 3.99 0.15 0.12 -1.17 113.70 115.84 1r45 s SER 176 Ca 0.25 -0.83 0.34 0.00 0.70 0.00 0.00 55.95 56.40 1r45 s SER 176 Cb 0.03 -0.08 1.65 0.00 -1.71 0.00 0.00 66.02 65.92 1r45 s SER 176 CO 0.14 -0.14 2.11 -0.07 1.20 0.00 0.00 173.24 176.48 1r45 h LEU 177 N 3.43 0.00 -8.90 3.45 3.38 -1.61 -0.75 115.31 114.30 1r45 h LEU 177 Ca -0.40 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.05 1r45 h LEU 177 Cb 1.20 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.78 1r45 h LEU 177 CO 0.51 0.06 -0.77 -0.04 0.09 0.00 0.00 178.44 178.29 1r45 s MET 178 N -3.98 1.35 0.03 1.13 -1.94 -1.26 -4.19 119.30 110.44 1r45 s MET 178 Ca -0.02 -1.51 0.22 0.00 -1.71 0.00 0.00 55.69 52.67 1r45 s MET 178 Cb 0.12 -1.35 -0.20 0.00 2.01 0.00 0.00 34.83 35.41 1r45 s MET 178 CO 0.53 0.26 0.71 -1.13 -0.01 0.00 0.00 175.02 175.38 1r45 n SER 179 N -0.02 0.35 -0.29 3.03 3.41 -1.26 -4.57 113.62 114.27 1r45 n SER 179 Ca -0.11 -0.04 0.07 0.00 -0.26 0.00 0.00 58.87 58.54 1r45 n SER 179 Cb 0.58 1.41 0.29 0.00 -0.26 0.00 0.00 64.21 66.24 1r45 n SER 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r45 h ALA 180 N 2.16 1.63 0.00 7.33 0.00 -1.97 -1.58 119.26 126.83 1r45 h ALA 180 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r45 h ALA 180 Cb 0.92 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1r45 h ALA 180 CO 0.00 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1r45 n GLN 181 N -4.53 0.17 -0.38 0.00 10.64 -1.26 -2.45 117.38 119.57 1r45 n GLN 181 Ca 0.15 0.49 0.11 0.00 -1.83 0.00 0.00 57.00 55.93 1r45 n GLN 181 Cb 0.31 -1.88 0.32 0.00 -0.86 0.00 0.00 30.24 28.12 1r45 n GLN 181 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1r45 n PHE 182 N -2.22 0.99 0.30 2.61 3.72 -0.59 -4.56 117.46 117.70 1r45 n PHE 182 Ca 0.01 -0.51 0.16 0.00 -0.05 0.00 0.00 57.45 57.07 1r45 n PHE 182 Cb 0.16 -0.02 0.94 0.00 -0.94 0.00 0.00 39.48 39.62 1r45 n PHE 182 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1r45 h GLY 183 N 4.18 0.00 -0.96 1.37 0.00 -1.61 -1.42 103.07 104.62 1r45 h GLY 183 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1r45 h GLY 183 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 1r45 n GLY 184 N -1.09 0.38 3.85 4.60 0.00 -1.26 -4.95 105.19 106.71 1r45 n GLY 184 Ca -0.03 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 1r45 n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r45 s ARG 185 N -1.93 3.95 0.49 1.61 1.81 -0.54 -4.97 118.95 119.37 1r45 s ARG 185 Ca 0.35 0.51 0.28 0.00 -1.72 0.00 0.00 55.73 55.15 1r45 s ARG 185 Cb 0.20 -2.64 1.05 0.00 -0.45 0.00 0.00 34.95 33.11 1r45 s ARG 185 CO 0.31 0.29 1.87 -1.00 -0.68 0.00 0.00 175.30 176.09 1r45 h PRO 186 N 2.69 0.00 -4.29 3.54 0.13 -1.84 -3.43 132.00 128.80 1r45 h PRO 186 Ca -0.48 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.19 1r45 h PRO 186 Cb 1.18 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.97 1r45 h PRO 186 CO 0.67 0.11 -0.79 0.42 -0.23 0.00 0.00 178.00 178.18 1r45 s ILE 187 N -3.61 0.85 -0.04 -3.56 1.01 -0.85 -0.23 121.20 114.76 1r45 s ILE 187 Ca 0.01 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.40 1r45 s ILE 187 Cb 0.09 -0.81 -0.00 0.00 0.01 0.00 0.00 42.46 41.75 1r45 s ILE 187 CO 0.60 0.29 -0.16 0.54 0.00 0.00 0.00 174.94 176.21 1r45 s VAL 188 N 0.81 1.38 -0.09 2.92 0.11 0.04 -0.28 120.40 125.29 1r45 s VAL 188 Ca -0.12 -0.68 0.03 0.00 -2.93 0.00 0.00 61.98 58.27 1r45 s VAL 188 Cb -0.15 -1.19 -0.01 0.00 -1.53 0.00 0.00 36.38 33.50 1r45 s VAL 188 CO 0.02 0.40 -0.19 -0.89 -3.33 0.00 0.00 175.10 171.11 1r45 s THR 189 N 0.08 2.60 -0.33 5.04 2.01 0.09 -0.51 115.64 124.63 1r45 s THR 189 Ca -0.04 -0.85 -0.10 0.00 0.31 0.00 0.00 61.69 61.01 1r45 s THR 189 Cb -0.12 -2.03 0.01 0.00 0.01 0.00 0.00 72.50 70.37 1r45 s THR 189 CO 0.02 0.56 0.16 -0.75 -0.69 0.00 0.00 174.62 173.92 1r45 s LYS 190 N 0.01 3.15 -0.09 4.92 2.20 0.25 -1.13 119.74 129.04 1r45 s LYS 190 Ca -0.06 -0.85 -0.13 0.00 -0.36 0.00 0.00 55.97 54.56 1r45 s LYS 190 Cb -0.15 -3.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.54 1r45 s LYS 190 CO 0.05 -0.51 0.33 -0.06 -0.36 0.00 0.00 175.35 174.80 1r45 s PHE 191 N 1.58 3.58 -0.25 4.03 0.08 0.14 -0.95 117.98 126.19 1r45 s PHE 191 Ca 0.03 0.75 -0.08 0.00 0.12 0.00 0.00 56.93 57.75 1r45 s PHE 191 Cb -0.18 -2.28 -0.04 0.00 -0.57 0.00 0.00 43.02 39.96 1r45 s PHE 191 CO 0.06 0.46 0.10 0.15 -0.10 0.00 0.00 175.22 175.89 1r45 s LYS 192 N -0.31 3.76 -0.13 0.44 1.02 -0.09 -1.07 119.74 123.35 1r45 s LYS 192 Ca 0.20 -0.42 0.02 0.00 0.02 0.00 0.00 55.97 55.78 1r45 s LYS 192 Cb -0.14 -3.41 0.01 0.00 -0.52 0.00 0.00 37.83 33.77 1r45 s LYS 192 CO 0.08 -0.16 -0.19 0.08 -0.92 0.00 0.00 175.35 174.24 1r45 s VAL 193 N 1.58 1.84 0.39 3.17 1.01 0.38 -1.71 120.40 127.06 1r45 s VAL 193 Ca 0.06 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 60.96 1r45 s VAL 193 Cb -0.15 -1.65 -0.10 0.00 0.00 0.00 0.00 36.38 34.48 1r45 s VAL 193 CO 0.06 0.51 0.97 0.42 0.00 0.00 0.00 175.10 177.05 1r45 s THR 194 N 0.92 4.17 0.02 3.92 -4.23 -1.26 -0.27 115.64 118.91 1r45 s THR 194 Ca -0.06 1.57 -0.33 0.00 -1.18 0.00 0.00 61.69 61.69 1r45 s THR 194 Cb -0.15 -3.77 -0.17 0.00 1.34 0.00 0.00 72.50 69.75 1r45 s THR 194 CO -0.03 -0.08 0.87 -3.20 -0.54 0.00 0.00 174.62 171.64 1r45 n ASN 195 N -0.10 -0.13 0.00 3.99 2.85 -1.24 -1.62 115.26 119.02 1r45 n ASN 195 Ca 0.05 1.00 0.00 0.00 -0.11 0.00 0.00 54.58 55.52 1r45 n ASN 195 Cb 0.52 -0.80 0.00 0.00 1.24 0.00 0.00 39.78 40.74 1r45 n ASN 195 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1r45 n GLY 196 N 1.34 2.11 3.76 8.20 0.00 0.91 -4.91 105.19 116.60 1r45 n GLY 196 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1r45 n GLY 196 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r45 s SER 197 N -1.95 6.01 0.36 1.61 0.01 -0.64 -4.61 113.70 114.48 1r45 s SER 197 Ca 0.00 2.67 -0.27 0.00 1.31 0.00 0.00 55.95 59.66 1r45 s SER 197 Cb 0.00 -2.64 -0.09 0.00 0.21 0.00 0.00 66.02 63.50 1r45 s SER 197 CO 0.00 -1.06 1.26 -0.54 0.41 0.00 0.00 173.24 173.31 1r45 s LYS 198 N -2.47 4.23 0.00 12.44 1.02 -1.26 -0.16 119.74 133.54 1r45 s LYS 198 Ca 0.61 2.09 0.00 0.00 0.02 0.00 0.00 55.97 58.69 1r45 s LYS 198 Cb -0.38 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 1r45 s LYS 198 CO 0.48 -0.25 0.00 0.41 -0.92 0.00 0.00 175.35 175.07 1r45 n GLY 199 N 0.77 3.79 3.22 -3.33 0.00 -0.18 -4.47 105.19 104.99 1r45 n GLY 199 Ca 0.02 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 1r45 n GLY 199 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r45 s GLY 200 N 0.00 -0.14 -0.23 -0.02 0.00 -0.37 -2.86 107.32 103.70 1r45 s GLY 200 Ca 0.00 0.38 -0.29 0.00 0.00 0.00 0.00 44.72 44.81 1r45 s GLY 200 CO 0.00 0.19 1.08 -0.47 0.00 0.00 0.00 173.10 173.90 1r45 s TYR 201 N -1.05 3.26 -0.05 1.90 5.04 -1.26 -0.60 117.35 124.58 1r45 s TYR 201 Ca -0.11 1.39 0.06 0.00 -2.44 0.00 0.00 57.07 55.97 1r45 s TYR 201 Cb -0.05 -3.33 0.10 0.00 0.35 0.00 0.00 41.96 39.04 1r45 s TYR 201 CO 0.03 -0.68 1.05 0.44 -1.34 0.00 0.00 175.55 175.06 1r45 n ILE 202 N 5.36 1.30 -0.27 3.14 -5.35 -0.05 -4.61 119.36 118.87 1r45 n ILE 202 Ca 0.12 -1.42 0.06 0.00 -0.27 0.00 0.00 62.75 61.24 1r45 n ILE 202 Cb 0.46 0.25 0.20 0.00 -1.74 0.00 0.00 39.64 38.82 1r45 n ILE 202 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1r45 h ASP 203 N 0.03 0.36 0.25 7.28 3.58 -1.91 -1.25 116.42 124.76 1r45 h ASP 203 Ca 0.00 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1r45 h ASP 203 Cb 0.67 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.79 1r45 h ASP 203 CO 0.00 0.13 0.00 -2.65 -2.88 0.00 0.00 179.24 173.85 1r45 n PRO 204 N -4.96 0.01 0.00 0.28 -0.02 -1.26 -2.24 135.00 126.80 1r45 n PRO 204 Ca 0.16 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1r45 n PRO 204 Cb 0.43 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 1r45 n PRO 204 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1r45 n ILE 205 N -1.48 0.56 -2.07 4.25 -5.35 -0.56 -5.07 119.36 109.64 1r45 n ILE 205 Ca 0.02 -0.68 -0.33 0.00 -0.27 0.00 0.00 62.75 61.49 1r45 n ILE 205 Cb 0.09 0.78 0.01 0.00 -1.74 0.00 0.00 39.64 38.78 1r45 n ILE 205 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1r45 s SER 206 N -0.56 5.76 0.54 7.28 0.15 -0.69 -4.18 113.70 121.99 1r45 s SER 206 Ca 0.00 1.86 0.31 0.00 0.70 0.00 0.00 55.95 58.82 1r45 s SER 206 Cb 0.00 -2.54 1.50 0.00 -1.71 0.00 0.00 66.02 63.27 1r45 s SER 206 CO 0.00 -1.18 2.07 0.22 1.20 0.00 0.00 173.24 175.54 1r45 h TYR 207 N 0.54 0.00 -2.39 3.44 5.03 -1.84 -3.34 116.97 118.41 1r45 h TYR 207 Ca -0.47 0.00 -0.59 0.00 2.58 0.00 0.00 58.73 60.24 1r45 h TYR 207 Cb 1.22 0.00 -0.41 0.00 1.55 0.00 0.00 36.73 39.10 1r45 h TYR 207 CO 0.58 0.09 -0.75 1.19 -1.32 0.00 0.00 178.16 177.95 1r45 n PHE 208 N -3.43 2.06 -1.85 -3.82 3.72 -1.26 -5.00 117.46 107.89 1r45 n PHE 208 Ca -0.01 -3.95 -0.41 0.00 -0.05 0.00 0.00 57.45 53.02 1r45 n PHE 208 Cb 0.25 -0.42 -0.01 0.00 -0.94 0.00 0.00 39.48 38.36 1r45 n PHE 208 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1r45 s PRO 209 N -1.62 4.16 0.00 -1.08 0.04 -1.26 -2.74 135.00 132.51 1r45 s PRO 209 Ca 0.34 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.89 1r45 s PRO 209 Cb 0.09 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.61 1r45 s PRO 209 CO -0.10 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 176.83 1r45 n GLY 210 N 1.39 2.07 0.15 0.56 0.00 -1.26 -4.94 105.19 103.16 1r45 n GLY 210 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 1r45 n GLY 210 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1r45 h GLN 211 N 1.12 0.00 -5.99 1.61 4.20 -1.91 -3.47 115.11 110.67 1r45 h GLN 211 Ca 0.00 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 58.30 1r45 h GLN 211 Cb 0.00 0.00 0.08 0.00 0.30 0.00 0.00 27.48 27.86 1r45 h GLN 211 CO 0.00 0.00 -0.74 1.28 -0.67 0.00 0.00 178.83 178.70 1r45 n LEU 212 N -2.46 -3.20 -4.74 1.46 4.77 -1.26 -4.63 117.00 106.94 1r45 n LEU 212 Ca 0.03 -0.67 -0.41 0.00 -0.03 0.00 0.00 56.01 54.93 1r45 n LEU 212 Cb 0.33 -2.85 -0.04 0.00 -2.33 0.00 0.00 43.42 38.54 1r45 n LEU 212 CO 0.25 0.51 0.82 -0.70 -1.33 0.00 0.00 177.39 176.95 1r45 s GLU 213 N -6.19 4.55 -0.20 3.23 2.12 -1.26 -1.80 118.70 119.15 1r45 s GLU 213 Ca 0.42 1.76 -0.02 0.00 0.36 0.00 0.00 54.97 57.48 1r45 s GLU 213 Cb -0.20 -3.27 -0.00 0.00 0.26 0.00 0.00 34.13 30.92 1r45 s GLU 213 CO 0.77 0.01 -0.08 0.08 -0.54 0.00 0.00 175.26 175.50 1r45 s VAL 214 N -0.09 3.10 -0.21 3.70 1.01 -0.32 -0.87 120.40 126.72 1r45 s VAL 214 Ca 0.51 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.78 1r45 s VAL 214 Cb -0.30 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1r45 s VAL 214 CO 0.35 0.46 0.18 -0.22 0.00 0.00 0.00 175.10 175.87 1r45 s LEU 215 N 1.27 4.18 0.11 3.92 2.96 0.23 -1.13 118.68 130.22 1r45 s LEU 215 Ca 0.03 0.25 0.04 0.00 -0.22 0.00 0.00 54.13 54.23 1r45 s LEU 215 Cb -0.14 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 1r45 s LEU 215 CO -0.04 0.12 0.09 -0.76 -1.32 0.00 0.00 176.35 174.44 1r45 s LEU 216 N 0.66 3.78 0.90 -0.68 1.43 -0.19 -1.23 118.68 123.35 1r45 s LEU 216 Ca 0.10 -0.06 -0.10 0.00 -1.03 0.00 0.00 54.13 53.04 1r45 s LEU 216 Cb -0.12 -2.44 0.13 0.00 0.03 0.00 0.00 46.19 43.79 1r45 s LEU 216 CO 0.02 0.14 1.14 -2.84 0.23 0.00 0.00 176.35 175.03 1r45 s PRO 217 N -2.62 1.17 0.77 1.29 0.02 -1.26 -2.16 135.00 132.20 1r45 s PRO 217 Ca 0.30 1.50 -0.12 0.00 0.02 0.00 0.00 61.00 62.70 1r45 s PRO 217 Cb -0.11 -1.75 0.05 0.00 0.02 0.00 0.00 34.50 32.71 1r45 s PRO 217 CO 0.22 -2.51 1.14 -0.98 -0.33 0.00 0.00 177.00 174.54 1r45 s ARG 218 N -4.68 2.31 -1.47 5.54 1.70 -1.26 -3.80 118.95 117.29 1r45 s ARG 218 Ca 0.66 0.31 -0.01 0.00 -0.47 0.00 0.00 55.73 56.22 1r45 s ARG 218 Cb -0.22 -1.97 0.01 0.00 -0.57 0.00 0.00 34.95 32.19 1r45 s ARG 218 CO 0.58 -1.39 0.11 0.09 -1.08 0.00 0.00 175.30 173.60 1r45 n ASN 219 N -3.22 -5.10 -4.81 -2.89 3.02 0.54 -4.96 115.26 97.83 1r45 n ASN 219 Ca 0.07 -0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.27 1r45 n ASN 219 Cb 0.59 -4.25 -0.06 0.00 -0.61 0.00 0.00 39.78 35.44 1r45 n ASN 219 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1r45 s ASN 220 N -2.17 7.11 0.05 6.41 3.04 -1.18 -4.79 114.94 123.42 1r45 s ASN 220 Ca 0.06 1.58 0.04 0.00 0.04 0.00 0.00 52.86 54.58 1r45 s ASN 220 Cb -0.03 -2.48 -0.04 0.00 -1.54 0.00 0.00 41.25 37.16 1r45 s ASN 220 CO 0.08 -0.07 -0.00 -0.44 -3.04 0.00 0.00 177.10 173.63 1r45 s SER 221 N -1.76 5.06 0.08 -4.21 0.01 -1.26 -1.53 113.70 110.09 1r45 s SER 221 Ca 0.49 -0.11 -0.07 0.00 1.31 0.00 0.00 55.95 57.56 1r45 s SER 221 Cb -0.16 -1.25 -0.01 0.00 0.21 0.00 0.00 66.02 64.81 1r45 s SER 221 CO 0.21 0.22 0.15 -0.72 0.41 0.00 0.00 173.24 173.51 1r45 s TYR 222 N -1.22 0.20 -0.19 2.43 1.13 -0.45 -2.14 117.35 117.10 1r45 s TYR 222 Ca 0.23 -0.63 -0.03 0.00 -1.41 0.00 0.00 57.07 55.24 1r45 s TYR 222 Cb -0.12 -0.11 -0.01 0.00 -1.10 0.00 0.00 41.96 40.62 1r45 s TYR 222 CO 0.15 -0.50 -0.07 -0.47 -2.51 0.00 0.00 175.55 172.15 1r45 s TYR 223 N -3.72 2.93 -0.43 -3.49 5.04 -0.24 -0.91 117.35 116.53 1r45 s TYR 223 Ca 0.04 -0.83 -0.28 0.00 -2.44 0.00 0.00 57.07 53.56 1r45 s TYR 223 Cb 0.05 -2.03 0.02 0.00 0.35 0.00 0.00 41.96 40.35 1r45 s TYR 223 CO -0.10 -0.43 1.06 0.42 -1.34 0.00 0.00 175.55 175.16 1r45 s ILE 224 N 1.12 4.36 -0.20 3.14 1.01 -0.84 0.20 121.20 130.00 1r45 s ILE 224 Ca 0.01 1.25 0.21 0.00 0.00 0.00 0.00 60.65 62.13 1r45 s ILE 224 Cb -0.15 -4.51 -0.06 0.00 0.01 0.00 0.00 42.46 37.76 1r45 s ILE 224 CO -0.01 -0.82 0.94 -1.54 0.00 0.00 0.00 174.94 173.51 1r45 n SER 225 N 7.41 0.76 -3.65 3.58 3.41 -0.07 0.48 113.62 125.54 1r45 n SER 225 Ca 0.10 0.30 -0.14 0.00 -0.26 0.00 0.00 58.87 58.87 1r45 n SER 225 Cb 0.48 0.56 -0.08 0.00 -0.26 0.00 0.00 64.21 64.91 1r45 n SER 225 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1r45 s ASP 226 N -5.35 -0.60 -0.02 4.04 -1.08 -1.18 -4.77 116.67 107.71 1r45 s ASP 226 Ca -0.02 1.02 -0.00 0.00 -0.52 0.00 0.00 52.55 53.03 1r45 s ASP 226 Cb 0.10 1.02 0.03 0.00 -1.46 0.00 0.00 42.92 42.61 1r45 s ASP 226 CO 0.81 -0.31 0.04 -0.04 0.52 0.00 0.00 175.17 176.19 1r45 s MET 227 N -0.11 -0.04 0.02 4.34 -1.94 -1.26 -0.94 119.30 119.37 1r45 s MET 227 Ca -0.03 0.22 -0.01 0.00 -1.71 0.00 0.00 55.69 54.16 1r45 s MET 227 Cb -0.03 -0.28 -0.02 0.00 2.01 0.00 0.00 34.83 36.51 1r45 s MET 227 CO 0.03 -0.19 -0.02 -0.65 -0.01 0.00 0.00 175.02 174.18 1r45 s GLN 228 N 1.20 0.37 0.14 2.03 -1.52 -0.17 -4.98 119.66 116.73 1r45 s GLN 228 Ca -0.07 -0.69 -0.30 0.00 -1.95 0.00 0.00 55.36 52.35 1r45 s GLN 228 Cb -0.13 0.13 -0.07 0.00 -0.22 0.00 0.00 33.01 32.73 1r45 s GLN 228 CO -0.03 -0.06 0.96 0.42 -0.25 0.00 0.00 175.29 176.32 1r45 s ILE 229 N -1.83 4.39 0.88 1.08 1.01 -1.26 0.01 121.20 125.48 1r45 s ILE 229 Ca -0.12 2.08 -0.11 0.00 0.00 0.00 0.00 60.65 62.49 1r45 s ILE 229 Cb -0.07 -4.32 0.12 0.00 0.01 0.00 0.00 42.46 38.19 1r45 s ILE 229 CO -0.02 0.36 1.09 -0.94 0.00 0.00 0.00 174.94 175.43 1r45 s SER 230 N -0.29 3.55 0.44 3.58 1.04 0.27 -4.87 113.70 117.42 1r45 s SER 230 Ca 0.45 1.61 0.19 0.00 0.48 0.00 0.00 55.95 58.69 1r45 s SER 230 Cb -0.24 -2.28 1.14 0.00 0.10 0.00 0.00 66.02 64.74 1r45 s SER 230 CO 0.30 -2.61 1.89 -0.65 0.98 0.00 0.00 173.24 173.15 1r45 h PRO 231 N -1.53 0.33 -0.09 4.02 0.11 -1.96 -0.25 132.00 132.62 1r45 h PRO 231 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1r45 h PRO 231 Cb 1.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1r45 h PRO 231 CO 0.53 0.22 0.00 0.27 -0.21 0.00 0.00 178.00 178.80 1r45 n ASN 232 N -4.47 1.30 -0.51 -2.05 6.94 -1.26 -4.91 115.26 110.30 1r45 n ASN 232 Ca 0.17 -1.57 -0.07 0.00 -0.02 0.00 0.00 54.58 53.10 1r45 n ASN 232 Cb 0.67 -0.06 -0.03 0.00 -2.36 0.00 0.00 39.78 38.01 1r45 n ASN 232 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1r45 n ASN 233 N 0.05 -4.58 -0.11 0.53 3.02 -0.11 -4.87 115.26 109.20 1r45 n ASN 233 Ca 0.17 0.16 0.01 0.00 -0.03 0.00 0.00 54.58 54.90 1r45 n ASN 233 Cb 0.29 -2.66 0.02 0.00 -0.61 0.00 0.00 39.78 36.82 1r45 n ASN 233 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1r45 n ARG 234 N -1.77 1.65 -3.88 3.52 1.74 -1.26 -0.94 116.66 115.71 1r45 n ARG 234 Ca -0.07 -1.26 -0.11 0.00 -0.77 0.00 0.00 57.85 55.65 1r45 n ARG 234 Cb 0.35 -1.05 -0.11 0.00 -1.02 0.00 0.00 32.46 30.63 1r45 n ARG 234 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1r45 s GLN 235 N -0.70 0.36 -0.18 5.56 0.74 -1.26 -4.70 119.66 119.47 1r45 s GLN 235 Ca 0.04 -0.30 -0.09 0.00 0.05 0.00 0.00 55.36 55.06 1r45 s GLN 235 Cb 0.02 0.15 -0.05 0.00 1.10 0.00 0.00 33.01 34.23 1r45 s GLN 235 CO 0.03 -0.08 0.11 0.42 -0.55 0.00 0.00 175.29 175.23 1r45 s ILE 236 N -1.02 5.24 -0.24 -2.34 1.01 0.68 -0.56 121.20 123.96 1r45 s ILE 236 Ca -0.11 0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.63 1r45 s ILE 236 Cb -0.06 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 39.05 1r45 s ILE 236 CO 0.01 0.47 -0.04 -0.04 0.00 0.00 0.00 174.94 175.34 1r45 s MET 237 N 0.17 3.12 -0.07 2.79 -1.94 0.10 -0.78 119.30 122.70 1r45 s MET 237 Ca 0.08 -0.80 0.00 0.00 -1.71 0.00 0.00 55.69 53.26 1r45 s MET 237 Cb -0.11 -3.04 -0.03 0.00 2.01 0.00 0.00 34.83 33.65 1r45 s MET 237 CO -0.01 -0.31 -0.05 0.42 -0.01 0.00 0.00 175.02 175.06 1r45 s ILE 238 N 1.42 3.87 -0.11 2.53 1.01 0.33 -1.00 121.20 129.25 1r45 s ILE 238 Ca 0.03 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.25 1r45 s ILE 238 Cb -0.15 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 1r45 s ILE 238 CO -0.03 0.59 -0.13 -0.89 0.00 0.00 0.00 174.94 174.47 1r45 s THR 239 N -0.85 3.06 -0.02 2.92 2.01 -0.11 -0.59 115.64 122.06 1r45 s THR 239 Ca 0.13 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.47 1r45 s THR 239 Cb -0.11 -2.26 0.01 0.00 0.01 0.00 0.00 72.50 70.14 1r45 s THR 239 CO 0.02 0.54 -0.04 0.00 -0.69 0.00 0.00 174.62 174.45 1r45 s ALA 240 N 0.10 0.48 -0.22 7.40 0.00 -0.12 -0.90 121.76 128.50 1r45 s ALA 240 Ca -0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 51.96 51.72 1r45 s ALA 240 Cb -0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1r45 s ALA 240 CO 0.05 0.06 -0.01 -1.64 0.00 0.00 0.00 175.76 174.21 1r45 s MET 241 N 0.27 3.47 0.28 0.00 -1.94 0.13 -0.92 119.30 120.61 1r45 s MET 241 Ca -0.03 -0.58 -0.29 0.00 -1.71 0.00 0.00 55.69 53.08 1r45 s MET 241 Cb -0.07 -3.08 -0.09 0.00 2.01 0.00 0.00 34.83 33.60 1r45 s MET 241 CO -0.00 -0.15 1.06 0.42 -0.01 0.00 0.00 175.02 176.33 1r45 s ILE 242 N 1.41 3.65 0.15 2.53 -1.09 -0.69 -1.08 121.20 126.08 1r45 s ILE 242 Ca 0.05 1.61 -0.13 0.00 -2.23 0.00 0.00 60.65 59.95 1r45 s ILE 242 Cb -0.14 -4.00 0.01 0.00 -1.58 0.00 0.00 42.46 36.74 1r45 s ILE 242 CO -0.01 0.35 0.36 0.72 -1.23 0.00 0.00 174.94 175.13 1r45 s PHE 243 N -1.23 0.07 0.00 3.97 -0.12 -0.91 -4.62 117.98 115.14 1r45 s PHE 243 Ca 0.45 -0.43 0.00 0.00 -0.05 0.00 0.00 56.93 56.90 1r45 s PHE 243 Cb -0.29 0.14 0.00 0.00 -0.63 0.00 0.00 43.02 42.24 1r45 s PHE 243 CO 0.37 -0.74 0.00 1.17 -0.05 0.00 0.00 175.22 175.97