#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r45 s THR 45 N 0.00 4.37 -0.21 5.18 2.01 -1.26 -5.08 115.64 120.65 1r45 s THR 45 Ca 0.00 -0.17 -0.08 0.00 0.31 0.00 0.00 61.69 61.75 1r45 s THR 45 Cb 0.00 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 1r45 s THR 45 CO 0.00 0.43 0.08 -0.36 -0.69 0.00 0.00 174.62 174.08 1r45 s PHE 46 N 0.76 3.21 0.08 4.92 0.40 -1.26 -4.53 117.98 121.55 1r45 s PHE 46 Ca 0.02 -0.03 -0.31 0.00 -0.60 0.00 0.00 56.93 56.01 1r45 s PHE 46 Cb -0.14 -2.14 -0.06 0.00 0.51 0.00 0.00 43.02 41.19 1r45 s PHE 46 CO 0.02 0.01 1.26 0.99 0.70 0.00 0.00 175.22 178.20 1r45 s THR 47 N 0.78 3.80 -0.22 0.64 2.01 -0.32 -4.71 115.64 117.62 1r45 s THR 47 Ca 0.04 1.29 0.02 0.00 0.31 0.00 0.00 61.69 63.35 1r45 s THR 47 Cb -0.13 -3.82 0.04 0.00 0.01 0.00 0.00 72.50 68.60 1r45 s THR 47 CO 0.02 0.10 -0.14 -0.70 -0.69 0.00 0.00 174.62 173.21 1r45 s GLU 48 N 1.10 2.47 0.18 4.92 2.12 -1.26 -0.33 118.70 127.90 1r45 s GLU 48 Ca 0.61 -1.10 -0.30 0.00 0.36 0.00 0.00 54.97 54.53 1r45 s GLU 48 Cb -0.32 -2.72 -0.09 0.00 0.26 0.00 0.00 34.13 31.27 1r45 s GLU 48 CO 0.29 -0.43 1.36 -0.06 -0.54 0.00 0.00 175.26 175.89 1r45 s PHE 49 N 1.21 3.21 -0.47 5.30 0.08 -1.26 -4.91 117.98 121.14 1r45 s PHE 49 Ca -0.03 1.08 0.24 0.00 0.12 0.00 0.00 56.93 58.34 1r45 s PHE 49 Cb -0.17 -3.67 0.28 0.00 -0.57 0.00 0.00 43.02 38.88 1r45 s PHE 49 CO -0.08 -2.22 1.34 1.79 -0.10 0.00 0.00 175.22 175.95 1r45 h THR 50 N 3.88 0.00 -2.93 0.64 1.35 -1.97 -3.47 112.91 110.42 1r45 h THR 50 Ca -0.44 -0.78 -0.00 0.00 -0.55 0.00 0.00 66.41 64.64 1r45 h THR 50 Cb 1.21 1.47 -0.12 0.00 -1.73 0.00 0.00 68.15 68.98 1r45 h THR 50 CO 0.81 0.00 0.24 0.54 -0.25 0.00 0.00 175.52 176.86 1r45 s ASN 51 N -5.09 -0.54 0.23 5.36 2.20 -1.26 -5.06 114.94 110.79 1r45 s ASN 51 Ca 0.05 -0.03 -0.08 0.00 -0.94 0.00 0.00 52.86 51.86 1r45 s ASN 51 Cb 0.10 0.58 0.21 0.00 -2.00 0.00 0.00 41.25 40.15 1r45 s ASN 51 CO 0.72 -0.95 1.90 0.58 -2.94 0.00 0.00 177.10 176.40 1r45 h VAL 52 N 2.00 1.24 -0.17 3.54 2.07 -1.99 -1.26 116.25 121.69 1r45 h VAL 52 Ca -0.32 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 66.74 1r45 h VAL 52 Cb 1.30 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1r45 h VAL 52 CO 0.37 0.24 0.06 -0.33 0.02 0.00 0.00 177.57 177.93 1r45 h GLU 53 N 1.23 0.14 -0.59 1.57 5.08 -1.99 0.32 114.58 120.34 1r45 h GLU 53 Ca 0.33 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.59 1r45 h GLU 53 Cb -0.10 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1r45 h GLU 53 CO -0.07 0.09 0.03 0.93 -1.00 0.00 0.00 179.01 178.99 1r45 h GLU 54 N 0.14 1.01 -0.27 2.33 5.08 -1.93 -1.35 114.58 119.59 1r45 h GLU 54 Ca 0.07 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1r45 h GLU 54 Cb 0.04 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1r45 h GLU 54 CO -0.07 0.97 0.06 0.00 -1.00 0.00 0.00 179.01 178.97 1r45 h ALA 55 N 1.09 0.35 -0.80 3.43 0.00 -0.87 -1.45 119.26 121.01 1r45 h ALA 55 Ca 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1r45 h ALA 55 Cb 0.50 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1r45 h ALA 55 CO 0.02 0.02 0.37 0.87 0.00 0.00 0.00 179.25 180.54 1r45 h LYS 56 N 0.26 1.16 -0.23 0.00 1.57 -0.81 0.17 116.57 118.69 1r45 h LYS 56 Ca 0.08 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1r45 h LYS 56 Cb 0.30 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1r45 h LYS 56 CO 0.00 0.90 0.10 -0.22 -0.57 0.00 0.00 179.45 179.66 1r45 h LYS 57 N 1.15 0.21 -0.22 3.15 3.64 -0.93 0.20 116.57 123.77 1r45 h LYS 57 Ca 0.28 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.57 1r45 h LYS 57 Cb 0.13 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1r45 h LYS 57 CO -0.03 0.14 -0.16 2.35 -2.27 0.00 0.00 179.45 179.48 1r45 h TRP 58 N 0.22 0.59 -0.15 1.91 7.01 -1.02 -2.04 115.95 122.46 1r45 h TRP 58 Ca 0.10 -0.16 0.02 0.00 2.11 0.00 0.00 58.89 60.96 1r45 h TRP 58 Cb 0.05 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 26.96 1r45 h TRP 58 CO -0.11 0.81 0.03 0.78 -2.79 0.00 0.00 178.44 177.16 1r45 h GLY 59 N 0.19 0.17 1.01 2.65 0.00 -0.49 -2.54 103.07 104.07 1r45 h GLY 59 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1r45 h GLY 59 CO 0.04 0.00 0.61 3.43 0.00 0.00 0.00 176.54 180.62 1r45 h ASN 60 N 0.09 1.11 -0.57 0.19 2.35 -0.62 0.22 115.58 118.35 1r45 h ASN 60 Ca 0.07 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 1r45 h ASN 60 Cb 0.06 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 1r45 h ASN 60 CO -0.09 0.83 0.22 0.00 -1.65 0.00 0.00 177.43 176.74 1r45 h ALA 61 N 1.33 1.25 -0.08 -0.83 0.00 -1.20 -1.03 119.26 118.71 1r45 h ALA 61 Ca 0.35 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1r45 h ALA 61 Cb -0.11 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.44 1r45 h ALA 61 CO -0.07 0.54 -0.59 1.96 0.00 0.00 0.00 179.25 181.09 1r45 h GLN 62 N 0.88 0.54 -0.69 0.00 1.08 -1.00 -3.27 115.11 112.65 1r45 h GLN 62 Ca 0.21 -0.48 0.07 0.00 -1.45 0.00 0.00 58.65 57.00 1r45 h GLN 62 Cb 0.20 0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.70 1r45 h GLN 62 CO -0.02 1.11 0.46 -0.92 -0.95 0.00 0.00 178.83 178.51 1r45 h TYR 63 N 0.14 0.69 -0.07 2.96 3.20 -0.72 -1.38 116.97 121.78 1r45 h TYR 63 Ca -0.05 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.86 1r45 h TYR 63 Cb 1.25 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 39.30 1r45 h TYR 63 CO 0.12 0.36 0.12 0.87 -1.64 0.00 0.00 178.16 177.98 1r45 h LYS 64 N 0.67 0.00 -0.00 1.82 1.79 -1.24 -1.77 116.57 117.83 1r45 h LYS 64 Ca 0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1r45 h LYS 64 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1r45 h LYS 64 CO -0.10 0.00 -0.54 1.63 -1.08 0.00 0.00 179.45 179.36 1r45 n LYS 65 N -3.52 0.30 -0.06 3.15 5.02 -0.52 -4.49 118.16 118.04 1r45 n LYS 65 Ca -0.01 -0.20 -0.12 0.00 -2.02 0.00 0.00 58.31 55.95 1r45 n LYS 65 Cb 0.21 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 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 0.50 0.41 -5.48 2.13 0.05 -1.37 -3.47 116.97 109.73 1r45 h TYR 66 Ca 0.00 -0.09 -0.35 0.00 0.05 0.00 0.00 58.73 58.34 1r45 h TYR 66 Cb 0.52 -0.10 0.14 0.00 1.01 0.00 0.00 36.73 38.31 1r45 h TYR 66 CO 0.00 0.63 -0.67 0.41 -1.05 0.00 0.00 178.16 177.49 1r45 n GLY 67 N -0.11 -0.40 3.77 3.88 0.00 -1.26 -4.86 105.19 106.22 1r45 n GLY 67 Ca -0.05 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -6.59 4.35 0.91 0.99 1.43 -1.26 -4.98 118.68 113.53 1r45 s LEU 68 Ca 0.34 2.95 -0.12 0.00 -1.03 0.00 0.00 54.13 56.28 1r45 s LEU 68 Cb -0.15 -3.66 0.13 0.00 0.03 0.00 0.00 46.19 42.54 1r45 s LEU 68 CO 0.68 -0.79 1.09 -0.94 0.23 0.00 0.00 176.35 176.62 1r45 s SER 69 N -0.17 3.40 0.13 2.29 1.04 -1.26 -4.79 113.70 114.34 1r45 s SER 69 Ca 0.53 1.44 -0.18 0.00 0.48 0.00 0.00 55.95 58.22 1r45 s SER 69 Cb -0.45 -2.12 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 1r45 s SER 69 CO 0.59 -2.68 1.79 0.50 0.98 0.00 0.00 173.24 174.42 1r45 h LYS 70 N -1.58 0.38 -0.60 4.02 3.11 -1.99 -0.33 116.57 119.58 1r45 h LYS 70 Ca -0.50 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 57.27 1r45 h LYS 70 Cb 1.29 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 32.41 1r45 h LYS 70 CO 0.55 0.26 0.21 -1.35 -2.81 0.00 0.00 179.45 176.31 1r45 h PRO 71 N 0.38 0.89 -0.46 1.90 0.11 -1.99 -1.00 132.00 131.83 1r45 h PRO 71 Ca 0.10 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1r45 h PRO 71 Cb -0.03 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 30.91 1r45 h PRO 71 CO -0.02 0.75 0.30 0.93 -0.21 0.00 0.00 178.00 179.75 1r45 h GLU 72 N 0.87 0.62 -0.46 1.05 5.08 -1.75 -0.41 114.58 119.57 1r45 h GLU 72 Ca 0.20 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1r45 h GLU 72 Cb 0.22 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1r45 h GLU 72 CO -0.01 0.42 0.20 1.96 -1.00 0.00 0.00 179.01 180.57 1r45 h GLN 73 N 0.63 0.68 -0.39 2.33 4.20 -0.77 -1.31 115.11 120.48 1r45 h GLN 73 Ca 0.17 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 1r45 h GLN 73 Cb -0.06 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 1r45 h GLN 73 CO -0.04 0.61 -0.03 0.93 -0.67 0.00 0.00 178.83 179.63 1r45 h GLU 74 N 0.60 0.65 -0.33 1.46 5.08 -0.96 0.52 114.58 121.60 1r45 h GLU 74 Ca 0.16 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 1r45 h GLU 74 Cb 0.17 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1r45 h GLU 74 CO -0.02 0.69 -0.17 0.00 -1.00 0.00 0.00 179.01 178.51 1r45 h ALA 75 N 1.36 0.47 -0.78 3.43 0.00 -0.78 -0.77 119.26 122.19 1r45 h ALA 75 Ca 0.12 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1r45 h ALA 75 Cb 0.43 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1r45 h ALA 75 CO 0.02 0.39 0.28 0.82 0.00 0.00 0.00 179.25 180.77 1r45 h ILE 76 N 0.48 1.26 -0.63 0.00 2.04 -1.03 -1.30 117.51 118.34 1r45 h ILE 76 Ca 0.07 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 65.03 1r45 h ILE 76 Cb 0.71 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1r45 h ILE 76 CO 0.05 0.35 0.24 0.50 0.00 0.00 0.00 178.15 179.29 1r45 h LYS 77 N 1.14 0.94 -0.40 2.37 3.64 -0.70 -0.52 116.57 123.06 1r45 h LYS 77 Ca 0.26 -0.18 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1r45 h LYS 77 Cb 0.25 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 1r45 h LYS 77 CO -0.02 0.80 0.19 0.35 -2.27 0.00 0.00 179.45 178.50 1r45 h PHE 78 N 0.88 0.34 -0.40 1.91 3.57 -0.92 -1.24 116.94 121.07 1r45 h PHE 78 Ca 0.21 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.78 1r45 h PHE 78 Cb 0.22 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 1r45 h PHE 78 CO 0.01 0.17 0.11 -0.92 -2.23 0.00 0.00 178.31 175.45 1r45 h TYR 79 N 0.38 0.19 0.00 0.41 5.03 -0.71 -1.99 116.97 120.28 1r45 h TYR 79 Ca 0.17 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.48 1r45 h TYR 79 Cb 0.09 -0.03 -0.00 0.00 1.55 0.00 0.00 36.73 38.35 1r45 h TYR 79 CO -0.11 0.05 -0.11 1.79 -1.32 0.00 0.00 178.16 178.46 1r45 h THR 80 N 0.25 0.73 -0.66 1.81 1.35 -0.17 -0.78 112.91 115.45 1r45 h THR 80 Ca 0.19 -0.45 -0.05 0.00 -0.55 0.00 0.00 66.41 65.55 1r45 h THR 80 Cb 0.21 1.27 -0.03 0.00 -1.73 0.00 0.00 68.15 67.86 1r45 h THR 80 CO -0.22 0.11 0.20 -0.09 -0.25 0.00 0.00 175.52 175.27 1r45 h ARG 81 N 0.00 1.01 -0.66 4.72 2.43 -0.47 -3.41 114.38 118.00 1r45 h ARG 81 Ca -0.00 -0.21 0.08 0.00 -0.81 0.00 0.00 59.98 59.05 1r45 h ARG 81 Cb 0.26 -0.15 -0.19 0.00 -0.42 0.00 0.00 29.97 29.46 1r45 h ARG 81 CO 0.01 0.87 -0.24 0.34 -1.51 0.00 0.00 179.97 179.44 1r45 s ASP 82 N -6.48 -1.06 0.54 -3.80 -1.08 -0.98 -5.04 116.67 98.77 1r45 s ASP 82 Ca -0.11 -0.08 0.29 0.00 -0.52 0.00 0.00 52.55 52.13 1r45 s ASP 82 Cb 0.15 1.56 1.57 0.00 -1.46 0.00 0.00 42.92 44.75 1r45 s ASP 82 CO 0.82 -0.17 2.12 0.00 0.52 0.00 0.00 175.17 178.46 1r45 h ALA 83 N 7.23 1.32 -0.03 3.66 0.00 -1.39 -2.00 119.26 128.05 1r45 h ALA 83 Ca -0.03 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1r45 h ALA 83 Cb 1.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1r45 h ALA 83 CO 0.03 0.11 0.04 0.66 0.00 0.00 0.00 179.25 180.09 1r45 h SER 84 N 0.00 0.00 1.04 0.00 4.64 -1.96 0.17 113.55 117.43 1r45 h SER 84 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r45 h SER 84 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1r45 h SER 84 CO 0.01 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.08 1r45 h LYS 85 N 0.00 0.00 0.00 4.77 1.79 -1.72 -0.05 116.57 121.36 1r45 h LYS 85 Ca 0.01 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.17 1r45 h LYS 85 Cb 0.10 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.70 1r45 h LYS 85 CO -0.00 0.00 -2.06 -0.89 -1.08 0.00 0.00 179.45 175.42 1r45 n ILE 86 N -2.56 1.04 0.15 1.86 2.08 -0.44 -4.53 119.36 116.96 1r45 n ILE 86 Ca 0.02 -0.27 0.01 0.00 0.56 0.00 0.00 62.75 63.07 1r45 n ILE 86 Cb 0.31 -1.74 0.20 0.00 -0.75 0.00 0.00 39.64 37.65 1r45 n ILE 86 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 1r45 h ASN 87 N -0.66 0.00 0.84 4.38 2.35 -0.79 -2.23 115.58 119.47 1r45 h ASN 87 Ca -0.48 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.23 1r45 h ASN 87 Cb 1.43 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.81 1r45 h ASN 87 CO -0.29 0.56 -0.40 1.23 -1.65 0.00 0.00 177.43 176.89 1r45 h GLY 88 N 2.06 -1.17 0.71 2.83 0.00 -1.18 -0.29 103.07 106.03 1r45 h GLY 88 Ca -0.01 0.43 0.13 0.00 0.00 0.00 0.00 47.33 47.89 1r45 h GLY 88 CO 0.07 -0.43 0.52 -2.55 0.00 0.00 0.00 176.54 174.15 1r45 h PRO 89 N -1.17 0.55 -0.44 4.80 0.11 -1.71 0.17 132.00 134.29 1r45 h PRO 89 Ca -0.11 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.89 1r45 h PRO 89 Cb 0.87 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 1r45 h PRO 89 CO 0.19 0.36 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.26 1r45 h LEU 90 N 0.56 0.78 -0.52 2.35 3.38 -1.15 -1.36 115.31 119.36 1r45 h LEU 90 Ca 0.38 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1r45 h LEU 90 Cb 0.69 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1r45 h LEU 90 CO -0.14 0.91 0.21 0.03 0.09 0.00 0.00 178.44 179.54 1r45 h ARG 91 N 0.64 0.77 -0.88 1.13 3.08 -0.27 0.36 114.38 119.21 1r45 h ARG 91 Ca 0.12 -0.14 0.13 0.00 0.07 0.00 0.00 59.98 60.16 1r45 h ARG 91 Cb 0.51 -0.13 -0.09 0.00 0.08 0.00 0.00 29.97 30.35 1r45 h ARG 91 CO 0.03 0.68 0.49 0.00 -1.07 0.00 0.00 179.97 180.09 1r45 h ALA 92 N 1.06 1.31 -0.65 0.04 0.00 -0.42 -1.77 119.26 118.83 1r45 h ALA 92 Ca 0.17 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1r45 h ALA 92 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1r45 h ALA 92 CO -0.02 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.36 1r45 n ASN 93 N -4.78 3.73 -3.96 0.00 3.02 -0.54 -4.94 115.26 107.79 1r45 n ASN 93 Ca 0.17 -2.08 -0.28 0.00 -0.03 0.00 0.00 54.58 52.35 1r45 n ASN 93 Cb 0.38 -0.47 -0.00 0.00 -0.61 0.00 0.00 39.78 39.07 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 1.36 -3.97 -0.79 3.52 6.02 -0.51 -1.14 117.38 121.88 1r45 n GLN 94 Ca 0.23 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.69 1r45 n GLN 94 Cb 0.61 -4.95 0.00 0.00 1.02 0.00 0.00 30.24 26.93 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 -1.73 0.83 3.55 1.08 0.00 0.00 -4.95 105.19 103.96 1r45 n GLY 95 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.77 6.26 0.60 1.61 2.47 -0.29 -4.82 114.94 118.00 1r45 s ASN 96 Ca 0.00 -0.77 0.31 0.00 0.42 0.00 0.00 52.86 52.82 1r45 s ASN 96 Cb 0.00 -2.56 1.87 0.00 -1.45 0.00 0.00 41.25 39.12 1r45 s ASN 96 CO 0.00 -1.72 2.25 1.05 -3.72 0.00 0.00 177.10 174.96 1r45 h GLU 97 N 9.93 0.00 0.00 0.43 4.11 -1.92 -0.74 114.58 126.39 1r45 h GLU 97 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.29 1r45 h GLU 97 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1r45 h GLU 97 CO 1.32 0.00 0.00 0.09 0.07 0.00 0.00 179.01 180.49 1r45 n ASN 98 N -3.75 0.69 -0.32 3.06 5.03 -1.26 -1.97 115.26 116.74 1r45 n ASN 98 Ca -0.03 0.66 0.13 0.00 0.87 0.00 0.00 54.58 56.21 1r45 n ASN 98 Cb 0.11 -0.81 0.34 0.00 -1.02 0.00 0.00 39.78 38.40 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 0.15 -0.43 3.78 7.41 0.00 -0.28 -4.95 105.19 110.87 1r45 n GLY 99 Ca 0.02 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.44 3.62 0.63 0.99 1.43 -0.83 -4.99 118.68 117.09 1r45 s LEU 100 Ca 0.25 2.07 -0.18 0.00 -1.03 0.00 0.00 54.13 55.24 1r45 s LEU 100 Cb 0.19 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.81 1r45 s LEU 100 CO 0.50 -1.31 1.01 -2.65 0.23 0.00 0.00 176.35 174.13 1r45 n PRO 101 N -1.69 0.87 -0.17 1.29 -0.02 -1.26 -4.66 135.00 129.35 1r45 n PRO 101 Ca 0.11 0.34 0.01 0.00 -2.02 0.00 0.00 63.50 61.94 1r45 n PRO 101 Cb 0.52 -2.23 0.27 0.00 -0.02 0.00 0.00 33.50 32.03 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 0.38 1.47 -0.27 3.55 0.00 -1.96 0.72 119.26 123.15 1r45 h ALA 102 Ca -0.49 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.23 1r45 h ALA 102 Cb 1.36 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1r45 h ALA 102 CO 0.50 0.47 -0.34 0.38 0.00 0.00 0.00 179.25 180.26 1r45 h ASP 103 N 0.92 0.61 0.12 0.00 2.03 -2.00 -1.40 116.42 116.71 1r45 h ASP 103 Ca 0.24 -0.25 -0.23 0.00 -0.73 0.00 0.00 57.03 56.06 1r45 h ASP 103 Cb -0.06 -0.17 0.01 0.00 -0.83 0.00 0.00 39.33 38.28 1r45 h ASP 103 CO -0.05 0.90 -0.90 0.40 -1.03 0.00 0.00 179.24 178.56 1r45 h ILE 104 N 0.50 1.33 -0.59 4.15 1.08 -1.65 -2.78 117.51 119.55 1r45 h ILE 104 Ca 0.05 -2.24 0.09 0.00 -0.39 0.00 0.00 64.86 62.38 1r45 h ILE 104 Cb 0.83 2.26 -0.07 0.00 -3.07 0.00 0.00 36.82 36.77 1r45 h ILE 104 CO 0.07 0.68 0.21 0.25 -0.69 0.00 0.00 178.15 178.67 1r45 h LEU 105 N 0.35 0.20 -1.03 1.44 5.85 -0.72 0.22 115.31 121.63 1r45 h LEU 105 Ca -0.08 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1r45 h LEU 105 Cb 1.53 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.59 1r45 h LEU 105 CO 0.17 0.12 0.41 -0.61 -0.34 0.00 0.00 178.44 178.19 1r45 h GLN 106 N 0.39 1.09 -0.25 1.25 -0.00 -1.15 0.56 115.11 117.01 1r45 h GLN 106 Ca 0.30 -0.13 -0.13 0.00 -0.00 0.00 0.00 58.65 58.68 1r45 h GLN 106 Cb 0.37 -0.21 -0.00 0.00 0.00 0.00 0.00 27.48 27.63 1r45 h GLN 106 CO -0.31 0.81 -0.36 0.87 0.00 0.00 0.00 178.83 179.84 1r45 h LYS 107 N 1.09 0.68 -0.65 1.69 1.57 -1.10 -2.64 116.57 117.21 1r45 h LYS 107 Ca 0.27 -0.40 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1r45 h LYS 107 Cb 0.05 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1r45 h LYS 107 CO -0.04 1.02 0.40 0.28 -0.57 0.00 0.00 179.45 180.54 1r45 h VAL 108 N 0.40 1.19 -0.82 0.50 2.07 -0.21 0.36 116.25 119.73 1r45 h VAL 108 Ca 0.02 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.18 1r45 h VAL 108 Cb 0.95 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 1r45 h VAL 108 CO 0.08 0.19 0.53 0.11 0.02 0.00 0.00 177.57 178.50 1r45 h LYS 109 N 0.89 0.98 -0.29 1.57 1.57 -0.90 0.10 116.57 120.49 1r45 h LYS 109 Ca 0.23 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1r45 h LYS 109 Cb -0.04 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1r45 h LYS 109 CO -0.05 0.65 0.09 -0.07 -0.57 0.00 0.00 179.45 179.50 1r45 h LEU 110 N 1.01 0.42 -0.42 2.94 3.38 -1.01 -0.58 115.31 121.06 1r45 h LEU 110 Ca 0.33 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1r45 h LEU 110 Cb 0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1r45 h LEU 110 CO -0.12 0.52 0.08 0.40 0.09 0.00 0.00 178.44 179.41 1r45 h ILE 111 N 0.31 1.24 -0.52 1.22 2.04 -0.68 -0.36 117.51 120.77 1r45 h ILE 111 Ca 0.09 -0.84 0.07 0.00 1.00 0.00 0.00 64.86 65.18 1r45 h ILE 111 Cb 0.25 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 1r45 h ILE 111 CO -0.00 0.29 0.19 0.44 0.00 0.00 0.00 178.15 179.07 1r45 h ASP 112 N 0.54 0.20 0.33 1.72 3.32 -0.73 -2.22 116.42 119.59 1r45 h ASP 112 Ca 0.13 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 1r45 h ASP 112 Cb 0.35 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1r45 h ASP 112 CO 0.01 0.14 -0.32 1.56 -1.72 0.00 0.00 179.24 178.91 1r45 h GLN 113 N 0.38 0.00 -0.04 3.56 4.20 -0.64 -2.65 115.11 119.91 1r45 h GLN 113 Ca 0.25 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.97 1r45 h GLN 113 Cb 0.26 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 1r45 h GLN 113 CO -0.25 0.32 0.03 0.66 -0.67 0.00 0.00 178.83 178.93 1r45 h SER 114 N 0.00 0.00 0.64 1.46 4.64 -0.42 -1.23 113.55 118.64 1r45 h SER 114 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r45 h SER 114 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1r45 h SER 114 CO 0.04 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.49 1r45 n PHE 115 N -4.37 0.31 0.30 4.77 3.72 -1.00 -1.00 117.46 120.20 1r45 n PHE 115 Ca -0.02 0.12 0.18 0.00 -0.05 0.00 0.00 57.45 57.68 1r45 n PHE 115 Cb 0.13 -0.69 0.86 0.00 -0.94 0.00 0.00 39.48 38.84 1r45 n PHE 115 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1r45 h SER 116 N 0.00 0.00 0.00 4.37 4.64 -1.39 -2.94 113.55 118.23 1r45 h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r45 h SER 116 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1r45 h SER 116 CO 0.00 0.00 -1.24 0.29 -0.87 0.00 0.00 176.83 175.01 1r45 n LYS 117 N -2.95 0.89 -4.02 4.77 5.02 -0.17 -4.90 118.16 116.80 1r45 n LYS 117 Ca -0.01 -0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 55.90 1r45 n LYS 117 Cb 0.19 -1.38 -0.15 0.00 -0.02 0.00 0.00 35.03 33.67 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 -2.92 1.72 0.07 1.97 -1.94 -1.11 -4.61 119.30 112.48 1r45 s MET 118 Ca 0.01 -1.63 0.06 0.00 -1.71 0.00 0.00 55.69 52.43 1r45 s MET 118 Cb 0.13 -3.03 -0.03 0.00 2.01 0.00 0.00 34.83 33.91 1r45 s MET 118 CO 0.75 -0.80 -0.16 0.15 -0.01 0.00 0.00 175.02 174.95 1r45 s LYS 119 N 1.02 0.94 0.09 2.03 -0.14 -1.15 -1.12 119.74 121.41 1r45 s LYS 119 Ca 0.03 -0.96 -0.31 0.00 -1.36 0.00 0.00 55.97 53.37 1r45 s LYS 119 Cb -0.19 -1.02 -0.08 0.00 -1.68 0.00 0.00 37.83 34.86 1r45 s LYS 119 CO -0.07 0.24 1.45 -1.64 -0.76 0.00 0.00 175.35 174.56 1r45 s MET 120 N -1.62 4.28 0.02 1.68 -1.94 0.51 -4.84 119.30 117.39 1r45 s MET 120 Ca 0.01 2.13 0.28 0.00 -1.71 0.00 0.00 55.69 56.40 1r45 s MET 120 Cb -0.09 -3.35 1.15 0.00 2.01 0.00 0.00 34.83 34.55 1r45 s MET 120 CO 0.02 -0.53 1.88 -0.35 -0.01 0.00 0.00 175.02 176.04 1r45 n PRO 121 N 4.46 0.02 -3.57 2.03 -0.04 -1.26 -0.21 135.00 136.43 1r45 n PRO 121 Ca 0.13 0.02 -0.12 0.00 -0.04 0.00 0.00 63.50 63.49 1r45 n PRO 121 Cb 0.42 -1.53 -0.04 0.00 -0.04 0.00 0.00 33.50 32.31 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 -3.01 1.10 0.24 0.54 -2.07 -1.26 -4.83 119.66 110.37 1r45 s GLN 122 Ca 0.13 -0.53 -0.31 0.00 -1.82 0.00 0.00 55.36 52.83 1r45 s GLN 122 Cb 0.18 0.50 -0.12 0.00 -1.09 0.00 0.00 33.01 32.48 1r45 s GLN 122 CO 0.55 -0.44 1.66 0.09 -1.32 0.00 0.00 175.29 175.83 1r45 n ASN 123 N -0.08 3.85 -3.93 12.60 3.02 -1.26 -3.70 115.26 125.76 1r45 n ASN 123 Ca -0.17 1.10 -0.10 0.00 -0.03 0.00 0.00 54.58 55.38 1r45 n ASN 123 Cb 0.63 -1.57 -0.10 0.00 -0.61 0.00 0.00 39.78 38.13 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 0.68 0.10 -0.19 2.41 2.07 -0.01 -1.17 121.20 125.09 1r45 s ILE 124 Ca 0.71 -0.84 -0.10 0.00 -1.41 0.00 0.00 60.65 59.02 1r45 s ILE 124 Cb -0.52 -0.38 -0.05 0.00 0.13 0.00 0.00 42.46 41.65 1r45 s ILE 124 CO 0.39 -0.46 0.14 -0.63 -1.91 0.00 0.00 174.94 172.47 1r45 s ILE 125 N -1.51 5.42 0.14 2.00 -1.09 0.54 -0.87 121.20 125.84 1r45 s ILE 125 Ca -0.15 0.21 0.06 0.00 -2.23 0.00 0.00 60.65 58.53 1r45 s ILE 125 Cb -0.08 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1r45 s ILE 125 CO -0.00 0.46 -0.13 -0.76 -1.23 0.00 0.00 174.94 173.28 1r45 s LEU 126 N 0.22 2.47 0.07 2.97 1.43 -0.19 -4.76 118.68 120.89 1r45 s LEU 126 Ca 0.09 -0.91 0.06 0.00 -1.03 0.00 0.00 54.13 52.34 1r45 s LEU 126 Cb -0.11 -0.49 -0.03 0.00 0.03 0.00 0.00 46.19 45.59 1r45 s LEU 126 CO -0.01 -0.22 -0.15 -0.36 0.23 0.00 0.00 176.35 175.84 1r45 s PHE 127 N -2.68 1.32 -0.03 0.29 0.08 0.10 -0.15 117.98 116.91 1r45 s PHE 127 Ca 0.13 -0.43 -0.02 0.00 0.12 0.00 0.00 56.93 56.74 1r45 s PHE 127 Cb -0.02 -0.75 0.02 0.00 -0.57 0.00 0.00 43.02 41.71 1r45 s PHE 127 CO 0.03 0.08 0.07 0.50 -0.10 0.00 0.00 175.22 175.80 1r45 s ARG 128 N -1.65 0.05 0.19 0.44 3.52 -0.35 0.11 118.95 121.27 1r45 s ARG 128 Ca 0.00 0.18 -0.03 0.00 -0.13 0.00 0.00 55.73 55.75 1r45 s ARG 128 Cb -0.10 -0.09 -0.05 0.00 -1.56 0.00 0.00 34.95 33.16 1r45 s ARG 128 CO 0.02 -0.09 0.41 0.20 -0.81 0.00 0.00 175.30 175.04 1r45 s GLY 129 N 0.56 1.95 0.29 8.12 0.00 -1.26 -0.59 107.32 116.39 1r45 s GLY 129 Ca -0.04 -0.70 -0.15 0.00 0.00 0.00 0.00 44.72 43.82 1r45 s GLY 129 CO -0.02 -0.64 0.63 -0.35 0.00 0.00 0.00 173.10 172.72 1r45 s ASP 130 N -2.92 -0.05 0.42 1.64 -1.08 0.06 -4.98 116.67 109.77 1r45 s ASP 130 Ca 0.40 -0.90 0.07 0.00 -0.52 0.00 0.00 52.55 51.60 1r45 s ASP 130 Cb -0.11 0.70 -0.05 0.00 -1.46 0.00 0.00 42.92 41.99 1r45 s ASP 130 CO 0.28 -1.33 0.18 -1.81 0.52 0.00 0.00 175.17 173.00 1r45 s ASP 131 N -3.01 4.42 0.63 -0.34 1.01 -1.26 -1.68 116.67 116.43 1r45 s ASP 131 Ca 0.18 -1.10 0.35 0.00 0.71 0.00 0.00 52.55 52.68 1r45 s ASP 131 Cb -0.03 -0.44 1.96 0.00 1.01 0.00 0.00 42.92 45.42 1r45 s ASP 131 CO 0.10 -0.57 2.21 -0.65 0.21 0.00 0.00 175.17 176.47 1r45 h PRO 132 N 1.41 0.00 -0.00 8.23 0.11 -1.94 -1.02 132.00 138.78 1r45 h PRO 132 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1r45 h PRO 132 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1r45 h PRO 132 CO 0.70 0.00 0.01 0.00 -0.21 0.00 0.00 178.00 178.50 1r45 h ALA 133 N 1.84 1.03 -0.39 -0.75 0.00 -1.89 -0.41 119.26 118.69 1r45 h ALA 133 Ca 0.03 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1r45 h ALA 133 Cb 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1r45 h ALA 133 CO -0.00 -0.01 0.28 -0.92 0.00 0.00 0.00 179.25 178.59 1r45 h TYR 134 N 0.00 0.06 -0.01 0.00 3.20 -1.59 -2.03 116.97 116.60 1r45 h TYR 134 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1r45 h TYR 134 Cb 0.03 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.28 1r45 h TYR 134 CO 0.00 0.03 -0.16 1.28 -1.64 0.00 0.00 178.16 177.66 1r45 n LEU 135 N -4.44 0.80 0.00 2.82 4.77 -0.16 -5.04 117.00 115.75 1r45 n LEU 135 Ca 0.06 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1r45 n LEU 135 Cb 0.43 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1r45 n LEU 135 CO 0.36 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1r45 n GLY 136 N 1.29 1.71 0.39 -0.72 0.00 -0.76 -4.45 105.19 102.65 1r45 n GLY 136 Ca 0.14 -1.83 0.18 0.00 0.00 0.00 0.00 46.02 44.51 1r45 n GLY 136 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1r45 h PRO 137 N 0.00 0.38 0.00 1.61 0.11 -1.93 0.48 132.00 132.65 1r45 h PRO 137 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1r45 h PRO 137 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 1r45 h PRO 137 CO 0.00 0.25 0.00 -0.85 -0.21 0.00 0.00 178.00 177.19 1r45 n GLU 138 N -4.48 0.20 -0.00 1.05 0.28 -1.26 -3.49 120.64 112.94 1r45 n GLU 138 Ca 0.17 0.33 0.01 0.00 -0.16 0.00 0.00 57.16 57.50 1r45 n GLU 138 Cb 0.62 -1.81 -0.01 0.00 1.43 0.00 0.00 31.44 31.66 1r45 n GLU 138 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1r45 n PHE 139 N -2.17 0.00 -0.10 -1.84 3.72 -0.61 -4.72 117.46 111.74 1r45 n PHE 139 Ca 0.03 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.54 1r45 n PHE 139 Cb 0.29 -0.05 0.46 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 0.48 -0.45 -1.08 3.07 -0.98 -0.45 115.11 115.71 1r45 h GLN 140 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.71 1r45 h GLN 140 Cb 0.19 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 27.64 1r45 h GLN 140 CO 0.00 0.32 0.00 -0.25 0.09 0.00 0.00 178.83 178.99 1r45 n ASP 141 N -4.48 3.43 -0.00 0.06 8.00 -1.26 -4.40 116.55 117.90 1r45 n ASP 141 Ca 0.10 -1.96 0.01 0.00 0.71 0.00 0.00 54.79 53.64 1r45 n ASP 141 Cb 0.32 -0.29 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 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 1.35 0.27 0.22 -1.24 5.02 -0.59 -4.73 118.16 118.47 1r45 n LYS 142 Ca 0.19 -0.02 0.11 0.00 -2.02 0.00 0.00 58.31 56.57 1r45 n LYS 142 Cb 0.57 -1.03 0.43 0.00 -0.02 0.00 0.00 35.03 34.98 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 0.44 -3.20 -0.18 6.09 -1.33 -3.42 117.51 115.91 1r45 h ILE 143 Ca 0.00 -1.11 -0.63 0.00 -1.37 0.00 0.00 64.86 61.75 1r45 h ILE 143 Cb 0.09 1.80 -0.14 0.00 0.47 0.00 0.00 36.82 39.04 1r45 h ILE 143 CO 0.00 0.19 -0.55 -0.76 -3.07 0.00 0.00 178.15 173.96 1r45 s LEU 144 N -6.60 3.89 0.87 2.19 1.43 -1.26 -0.28 118.68 118.92 1r45 s LEU 144 Ca 0.02 0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 1r45 s LEU 144 Cb 0.09 -1.97 0.11 0.00 0.03 0.00 0.00 46.19 44.46 1r45 s LEU 144 CO 0.63 0.23 1.09 0.20 0.23 0.00 0.00 176.35 178.74 1r45 s ASN 145 N 0.01 3.66 0.52 2.29 0.01 0.90 -4.81 114.94 117.52 1r45 s ASN 145 Ca 0.06 1.61 0.16 0.00 -0.71 0.00 0.00 52.86 53.98 1r45 s ASN 145 Cb -0.12 -2.29 1.26 0.00 0.41 0.00 0.00 41.25 40.52 1r45 s ASN 145 CO 0.01 -2.54 2.15 0.50 -1.51 0.00 0.00 177.10 175.70 1r45 h LYS 146 N -1.48 0.01 -0.29 -0.60 1.63 -1.98 -0.96 116.57 112.90 1r45 h LYS 146 Ca -0.48 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 1r45 h LYS 146 Cb 1.27 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 1r45 h LYS 146 CO 0.53 0.01 0.00 -0.40 -3.45 0.00 0.00 179.45 176.14 1r45 n ASP 147 N -4.54 1.20 0.00 4.20 5.75 -1.26 -4.88 116.55 117.02 1r45 n ASP 147 Ca -0.03 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 1r45 n ASP 147 Cb 0.09 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 1r45 n ASP 147 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1r45 n GLY 148 N 0.71 1.50 3.91 6.12 0.00 -0.36 -5.03 105.19 112.04 1r45 n GLY 148 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.56 4.91 0.13 2.61 -4.23 -1.26 -4.65 115.64 109.59 1r45 s THR 149 Ca 0.00 0.21 -0.31 0.00 -1.18 0.00 0.00 61.69 60.41 1r45 s THR 149 Cb 0.00 -3.86 -0.08 0.00 1.34 0.00 0.00 72.50 69.90 1r45 s THR 149 CO 0.00 -0.83 1.36 -0.63 -0.54 0.00 0.00 174.62 173.98 1r45 s ILE 150 N -2.72 3.31 -0.31 2.99 -1.09 0.28 -0.07 121.20 123.60 1r45 s ILE 150 Ca 0.47 0.97 -0.29 0.00 -2.23 0.00 0.00 60.65 59.58 1r45 s ILE 150 Cb -0.10 -3.62 -0.01 0.00 -1.58 0.00 0.00 42.46 37.14 1r45 s ILE 150 CO 0.44 0.09 1.64 0.21 -1.23 0.00 0.00 174.94 176.09 1r45 s ASN 151 N 0.93 6.17 0.24 3.58 3.84 0.61 -4.78 114.94 125.54 1r45 s ASN 151 Ca 0.62 1.29 -0.04 0.00 0.21 0.00 0.00 52.86 54.95 1r45 s ASN 151 Cb -0.36 -2.53 0.28 0.00 -0.55 0.00 0.00 41.25 38.08 1r45 s ASN 151 CO 0.32 -1.48 1.77 0.11 -2.79 0.00 0.00 177.10 175.03 1r45 h LYS 152 N 11.58 0.94 -0.09 0.43 1.57 -1.92 0.17 116.57 129.25 1r45 h LYS 152 Ca -0.32 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.21 1r45 h LYS 152 Cb 1.15 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 1r45 h LYS 152 CO 1.03 0.86 -0.05 1.15 -0.57 0.00 0.00 179.45 181.87 1r45 h THR 153 N 0.89 1.33 -0.42 -0.16 2.02 -1.99 -2.70 112.91 111.89 1r45 h THR 153 Ca 0.19 -1.11 -0.02 0.00 0.77 0.00 0.00 66.41 66.24 1r45 h THR 153 Cb 0.36 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 1r45 h THR 153 CO 0.01 0.31 0.16 0.58 0.37 0.00 0.00 175.52 176.95 1r45 h VAL 154 N -0.18 1.16 -0.80 3.16 2.07 -1.86 -1.61 116.25 118.20 1r45 h VAL 154 Ca 0.02 -0.51 0.09 0.00 0.82 0.00 0.00 66.70 67.12 1r45 h VAL 154 Cb 0.52 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 1r45 h VAL 154 CO 0.02 0.20 0.52 0.15 0.02 0.00 0.00 177.57 178.47 1r45 h PHE 155 N 0.60 0.79 -0.99 1.57 3.57 -0.43 0.89 116.94 122.95 1r45 h PHE 155 Ca 0.15 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.68 1r45 h PHE 155 Cb 0.13 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.56 1r45 h PHE 155 CO 0.01 0.38 0.65 0.93 -2.23 0.00 0.00 178.31 178.04 1r45 h GLU 156 N 0.75 1.27 -0.09 1.11 4.39 -0.98 -0.34 114.58 120.69 1r45 h GLU 156 Ca 0.37 -0.08 -0.13 0.00 0.34 0.00 0.00 59.36 59.86 1r45 h GLU 156 Cb 0.43 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1r45 h GLU 156 CO -0.14 0.84 -0.51 1.96 -1.16 0.00 0.00 179.01 180.00 1r45 h GLN 157 N 1.31 0.25 -0.47 2.33 7.50 -0.88 -1.34 115.11 123.81 1r45 h GLN 157 Ca 0.37 -0.15 -0.02 0.00 0.50 0.00 0.00 58.65 59.35 1r45 h GLN 157 Cb -0.11 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.41 1r45 h GLN 157 CO -0.09 0.71 0.22 0.28 -1.50 0.00 0.00 178.83 178.45 1r45 h VAL 158 N 0.20 1.19 -0.79 -0.54 2.07 -0.43 -1.04 116.25 116.91 1r45 h VAL 158 Ca 0.01 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 1r45 h VAL 158 Cb 0.98 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1r45 h VAL 158 CO 0.08 0.21 0.31 0.11 0.02 0.00 0.00 177.57 178.30 1r45 h LYS 159 N 0.62 1.18 -0.50 1.57 1.57 -0.88 -0.89 116.57 119.25 1r45 h LYS 159 Ca 0.16 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1r45 h LYS 159 Cb 0.13 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1r45 h LYS 159 CO -0.02 0.96 0.33 0.00 -0.57 0.00 0.00 179.45 180.15 1r45 h ALA 160 N 1.16 1.71 0.09 3.86 0.00 -0.68 0.18 119.26 125.58 1r45 h ALA 160 Ca 0.26 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.89 1r45 h ALA 160 Cb 0.23 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1r45 h ALA 160 CO -0.02 0.25 -1.14 -0.22 0.00 0.00 0.00 179.25 178.12 1r45 h LYS 161 N 0.62 0.24 0.00 0.00 3.64 -0.63 -3.42 116.57 117.02 1r45 h LYS 161 Ca 0.19 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1r45 h LYS 161 Cb 0.01 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1r45 h LYS 161 CO -0.05 1.15 -0.99 1.19 -2.27 0.00 0.00 179.45 178.49 1r45 n PHE 162 N -3.54 0.00 -2.44 1.91 3.72 -0.39 -4.95 117.46 111.77 1r45 n PHE 162 Ca -0.07 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.93 1r45 n PHE 162 Cb 0.97 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.47 1r45 n PHE 162 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1r45 s LEU 163 N -3.74 4.50 -1.51 4.37 2.96 0.61 -2.99 118.68 122.88 1r45 s LEU 163 Ca 0.00 2.24 -0.06 0.00 -0.22 0.00 0.00 54.13 56.09 1r45 s LEU 163 Cb 0.00 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 43.09 1r45 s LEU 163 CO 0.00 -0.25 0.68 0.29 -1.32 0.00 0.00 176.35 175.75 1r45 n LYS 164 N 1.84 -5.14 -4.17 1.98 5.02 0.13 -4.92 118.16 112.89 1r45 n LYS 164 Ca 0.01 0.85 -0.12 0.00 -2.02 0.00 0.00 58.31 57.03 1r45 n LYS 164 Cb 0.45 -5.72 -0.10 0.00 -0.02 0.00 0.00 35.03 29.64 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 -5.84 0.83 0.30 1.97 1.02 -1.16 -4.95 119.74 111.91 1r45 s LYS 165 Ca 0.36 -1.26 -0.12 0.00 0.02 0.00 0.00 55.97 54.97 1r45 s LYS 165 Cb -0.16 -0.33 -0.08 0.00 -0.52 0.00 0.00 37.83 36.74 1r45 s LYS 165 CO 0.45 0.02 0.66 -0.51 -0.92 0.00 0.00 175.35 175.05 1r45 s ASP 166 N -2.81 6.66 -0.00 2.83 1.01 -1.26 -1.47 116.67 121.62 1r45 s ASP 166 Ca 0.09 1.09 0.00 0.00 0.71 0.00 0.00 52.55 54.45 1r45 s ASP 166 Cb 0.02 -2.30 0.00 0.00 1.01 0.00 0.00 42.92 41.65 1r45 s ASP 166 CO -0.03 -0.19 -0.01 -0.60 0.21 0.00 0.00 175.17 174.55 1r45 s ARG 167 N -3.10 0.11 -0.07 8.23 3.52 -0.08 -4.97 118.95 122.59 1r45 s ARG 167 Ca 0.51 -0.04 0.04 0.00 -0.13 0.00 0.00 55.73 56.11 1r45 s ARG 167 Cb -0.11 -0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.17 1r45 s ARG 167 CO 0.22 0.02 -0.19 0.99 -0.81 0.00 0.00 175.30 175.52 1r45 s THR 168 N 0.03 1.66 -0.03 4.11 2.01 -1.26 -1.30 115.64 120.86 1r45 s THR 168 Ca -0.00 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.18 1r45 s THR 168 Cb -0.01 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 1r45 s THR 168 CO -0.00 0.47 0.04 -1.61 -0.69 0.00 0.00 174.62 172.83 1r45 s GLU 169 N 0.28 3.00 0.27 4.92 2.02 -1.26 -4.99 118.70 122.94 1r45 s GLU 169 Ca -0.12 -0.47 0.12 0.00 0.02 0.00 0.00 54.97 54.52 1r45 s GLU 169 Cb -0.15 -2.82 0.29 0.00 0.10 0.00 0.00 34.13 31.55 1r45 s GLU 169 CO 0.05 0.67 1.56 1.88 0.02 0.00 0.00 175.26 179.44 1r45 h TYR 170 N 4.49 0.00 -4.36 1.61 0.05 -1.94 -1.15 116.97 115.67 1r45 h TYR 170 Ca -0.50 0.00 -0.47 0.00 0.05 0.00 0.00 58.73 57.81 1r45 h TYR 170 Cb 1.19 0.00 0.12 0.00 1.01 0.00 0.00 36.73 39.04 1r45 h TYR 170 CO 0.64 0.62 0.34 0.20 -1.05 0.00 0.00 178.16 178.91 1r45 s GLY 171 N -4.49 1.59 0.86 3.88 0.00 -1.26 -4.05 107.32 103.85 1r45 s GLY 171 Ca 0.00 -0.49 -0.11 0.00 0.00 0.00 0.00 44.72 44.12 1r45 s GLY 171 CO 0.75 0.01 1.09 -0.19 0.00 0.00 0.00 173.10 174.77 1r45 s TYR 172 N -3.34 2.33 -0.28 1.90 2.02 -1.26 -4.01 117.35 114.71 1r45 s TYR 172 Ca 0.62 1.42 -0.08 0.00 -0.37 0.00 0.00 57.07 58.66 1r45 s TYR 172 Cb -0.13 -3.13 -0.01 0.00 -0.40 0.00 0.00 41.96 38.28 1r45 s TYR 172 CO 0.52 -2.23 0.11 0.42 -1.57 0.00 0.00 175.55 172.79 1r45 s ILE 173 N -2.88 4.38 -0.31 2.71 1.01 -0.85 -4.92 121.20 120.34 1r45 s ILE 173 Ca 0.63 -0.36 -0.16 0.00 0.00 0.00 0.00 60.65 60.77 1r45 s ILE 173 Cb -0.18 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.10 1r45 s ILE 173 CO 0.57 0.18 0.40 -0.44 0.00 0.00 0.00 174.94 175.65 1r45 s SER 174 N 1.60 6.25 0.46 3.58 0.01 -1.26 -0.82 113.70 123.52 1r45 s SER 174 Ca 0.05 0.08 0.03 0.00 1.31 0.00 0.00 55.95 57.43 1r45 s SER 174 Cb -0.16 -2.22 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 1r45 s SER 174 CO 0.05 -0.29 0.02 0.42 0.41 0.00 0.00 173.24 173.85 1r45 s THR 175 N 2.13 1.35 0.12 1.44 -4.23 -0.48 -4.75 115.64 111.22 1r45 s THR 175 Ca 0.15 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.73 1r45 s THR 175 Cb -0.16 -2.47 -0.04 0.00 1.34 0.00 0.00 72.50 71.18 1r45 s THR 175 CO 0.11 0.00 -0.16 -0.55 -0.54 0.00 0.00 174.62 173.48 1r45 s SER 176 N -3.78 2.15 0.58 3.99 0.15 0.12 -1.13 113.70 115.78 1r45 s SER 176 Ca 0.18 -0.78 0.34 0.00 0.70 0.00 0.00 55.95 56.39 1r45 s SER 176 Cb 0.05 -0.09 1.77 0.00 -1.71 0.00 0.00 66.02 66.03 1r45 s SER 176 CO 0.09 -0.09 2.17 -0.07 1.20 0.00 0.00 173.24 176.54 1r45 h LEU 177 N 3.63 0.00 -9.29 3.45 3.38 -1.59 0.32 115.31 115.21 1r45 h LEU 177 Ca -0.41 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 56.96 1r45 h LEU 177 Cb 1.20 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.81 1r45 h LEU 177 CO 0.48 0.05 -0.73 -0.04 0.09 0.00 0.00 178.44 178.29 1r45 s MET 178 N -4.13 1.85 -0.02 1.13 -1.94 -1.26 -4.36 119.30 110.56 1r45 s MET 178 Ca -0.03 -1.62 0.12 0.00 -1.71 0.00 0.00 55.69 52.45 1r45 s MET 178 Cb 0.13 -1.91 -0.18 0.00 2.01 0.00 0.00 34.83 34.88 1r45 s MET 178 CO 0.52 0.35 0.25 -1.13 -0.01 0.00 0.00 175.02 175.00 1r45 n SER 179 N -0.55 2.34 0.11 3.03 3.41 -1.26 -4.59 113.62 116.10 1r45 n SER 179 Ca -0.07 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.62 1r45 n SER 179 Cb 0.59 1.51 0.55 0.00 -0.26 0.00 0.00 64.21 66.59 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 1.05 1.93 0.00 7.33 0.00 -1.99 -0.58 119.26 126.99 1r45 h ALA 180 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1r45 h ALA 180 Cb 0.57 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1r45 h ALA 180 CO 0.00 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1r45 n GLN 181 N -4.50 0.01 -0.34 0.00 0.00 -1.26 -2.18 117.38 109.11 1r45 n GLN 181 Ca 0.02 0.33 0.10 0.00 0.00 0.00 0.00 57.00 57.45 1r45 n GLN 181 Cb 0.14 -1.51 0.28 0.00 0.00 0.00 0.00 30.24 29.16 1r45 n GLN 181 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1r45 n PHE 182 N -1.52 0.89 0.31 2.61 3.72 -0.23 -4.64 117.46 118.60 1r45 n PHE 182 Ca 0.02 -0.51 0.19 0.00 -0.05 0.00 0.00 57.45 57.10 1r45 n PHE 182 Cb 0.12 -0.03 0.93 0.00 -0.94 0.00 0.00 39.48 39.56 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 3.67 0.00 -1.42 1.37 0.00 -1.56 -1.85 103.07 103.28 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 0.02 0.00 -0.13 0.61 0.00 0.00 0.00 176.54 177.05 1r45 n GLY 184 N -0.61 0.45 3.80 4.60 0.00 -1.26 -5.00 105.19 107.17 1r45 n GLY 184 Ca -0.01 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.87 3.94 0.46 1.61 1.81 -0.70 -4.95 118.95 119.26 1r45 s ARG 185 Ca 0.22 1.35 0.16 0.00 -1.72 0.00 0.00 55.73 55.73 1r45 s ARG 185 Cb 0.17 -2.20 1.07 0.00 -0.45 0.00 0.00 34.95 33.54 1r45 s ARG 185 CO 0.33 -0.31 2.02 -1.35 -0.68 0.00 0.00 175.30 175.31 1r45 h PRO 186 N 1.81 0.00 -4.47 3.54 0.11 -1.82 -3.43 132.00 127.74 1r45 h PRO 186 Ca -0.49 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.23 1r45 h PRO 186 Cb 1.21 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.02 1r45 h PRO 186 CO 0.60 0.16 -0.77 0.42 -0.21 0.00 0.00 178.00 178.19 1r45 s ILE 187 N -4.65 0.63 -0.04 4.15 1.01 -0.68 -0.48 121.20 121.15 1r45 s ILE 187 Ca -0.04 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1r45 s ILE 187 Cb 0.16 -0.56 0.01 0.00 0.01 0.00 0.00 42.46 42.08 1r45 s ILE 187 CO 0.68 0.20 -0.09 0.54 0.00 0.00 0.00 174.94 176.28 1r45 s VAL 188 N 0.11 0.79 -0.14 2.92 0.11 -0.26 -0.76 120.40 123.18 1r45 s VAL 188 Ca -0.01 -0.33 -0.01 0.00 -2.93 0.00 0.00 61.98 58.70 1r45 s VAL 188 Cb -0.06 -0.73 -0.02 0.00 -1.53 0.00 0.00 36.38 34.04 1r45 s VAL 188 CO -0.00 0.26 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.03 1r45 s THR 189 N 0.44 3.27 -0.39 5.04 2.01 0.24 -0.76 115.64 125.49 1r45 s THR 189 Ca -0.07 -0.58 -0.16 0.00 0.31 0.00 0.00 61.69 61.19 1r45 s THR 189 Cb -0.11 -2.39 0.01 0.00 0.01 0.00 0.00 72.50 70.01 1r45 s THR 189 CO 0.01 0.51 0.35 -0.75 -0.69 0.00 0.00 174.62 174.06 1r45 s LYS 190 N 0.39 3.21 -0.16 4.92 2.20 0.59 -1.21 119.74 129.68 1r45 s LYS 190 Ca -0.09 -0.75 -0.17 0.00 -0.36 0.00 0.00 55.97 54.60 1r45 s LYS 190 Cb -0.15 -3.91 -0.04 0.00 -1.51 0.00 0.00 37.83 32.21 1r45 s LYS 190 CO 0.05 -0.70 0.46 -0.06 -0.36 0.00 0.00 175.35 174.74 1r45 s PHE 191 N 1.92 3.43 -0.36 4.03 0.08 0.79 -0.93 117.98 126.95 1r45 s PHE 191 Ca 0.09 0.77 -0.13 0.00 0.12 0.00 0.00 56.93 57.78 1r45 s PHE 191 Cb -0.18 -2.57 -0.01 0.00 -0.57 0.00 0.00 43.02 39.70 1r45 s PHE 191 CO 0.12 0.05 0.25 0.15 -0.10 0.00 0.00 175.22 175.68 1r45 s LYS 192 N 1.08 3.32 -0.15 0.44 1.02 0.78 -1.02 119.74 125.21 1r45 s LYS 192 Ca 0.23 -0.77 0.02 0.00 0.02 0.00 0.00 55.97 55.48 1r45 s LYS 192 Cb -0.15 -3.83 0.01 0.00 -0.52 0.00 0.00 37.83 33.34 1r45 s LYS 192 CO 0.09 -0.53 -0.22 0.08 -0.92 0.00 0.00 175.35 173.85 1r45 s VAL 193 N 1.69 2.08 0.58 3.17 1.01 -0.05 -0.95 120.40 127.93 1r45 s VAL 193 Ca 0.05 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.96 1r45 s VAL 193 Cb -0.18 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 1r45 s VAL 193 CO 0.10 0.55 0.98 0.42 0.00 0.00 0.00 175.10 177.15 1r45 s THR 194 N 0.88 4.72 0.14 3.92 -4.23 -0.84 -0.83 115.64 119.40 1r45 s THR 194 Ca -0.05 0.82 -0.33 0.00 -1.18 0.00 0.00 61.69 60.94 1r45 s THR 194 Cb -0.15 -3.85 -0.17 0.00 1.34 0.00 0.00 72.50 69.68 1r45 s THR 194 CO -0.03 -1.03 1.06 -3.20 -0.54 0.00 0.00 174.62 170.87 1r45 n ASN 195 N -2.50 0.74 0.00 3.99 4.05 -1.24 -1.78 115.26 118.52 1r45 n ASN 195 Ca 0.05 1.14 0.00 0.00 0.45 0.00 0.00 54.58 56.23 1r45 n ASN 195 Cb 0.54 -1.12 0.00 0.00 1.23 0.00 0.00 39.78 40.43 1r45 n ASN 195 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1r45 n GLY 196 N 1.92 1.86 3.77 8.20 0.00 0.71 -4.93 105.19 116.73 1r45 n GLY 196 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.13 5.51 0.26 1.61 0.01 -0.73 -4.57 113.70 113.66 1r45 s SER 197 Ca 0.00 2.16 -0.30 0.00 1.31 0.00 0.00 55.95 59.13 1r45 s SER 197 Cb 0.00 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 1r45 s SER 197 CO 0.00 -1.36 1.24 -0.54 0.41 0.00 0.00 173.24 172.99 1r45 s LYS 198 N -3.47 4.45 0.00 12.44 1.02 -1.25 -0.36 119.74 132.57 1r45 s LYS 198 Ca 0.72 2.02 0.00 0.00 0.02 0.00 0.00 55.97 58.73 1r45 s LYS 198 Cb -0.24 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 1r45 s LYS 198 CO 0.31 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 175.05 1r45 n GLY 199 N 1.58 3.75 3.41 -3.33 0.00 -0.27 -4.51 105.19 105.82 1r45 n GLY 199 Ca 0.02 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.45 -0.10 -0.02 0.00 -0.46 -2.95 107.32 103.34 1r45 s GLY 200 Ca 0.00 0.78 -0.30 0.00 0.00 0.00 0.00 44.72 45.20 1r45 s GLY 200 CO 0.00 0.47 1.10 -0.47 0.00 0.00 0.00 173.10 174.20 1r45 s TYR 201 N -1.98 3.34 -0.02 1.90 5.04 -1.26 -0.99 117.35 123.38 1r45 s TYR 201 Ca -0.08 1.41 0.03 0.00 -2.44 0.00 0.00 57.07 55.99 1r45 s TYR 201 Cb -0.01 -3.30 0.04 0.00 0.35 0.00 0.00 41.96 39.04 1r45 s TYR 201 CO 0.02 -0.75 0.97 0.44 -1.34 0.00 0.00 175.55 174.89 1r45 n ILE 202 N 4.68 1.00 -0.31 3.14 -5.35 -0.13 -4.69 119.36 117.69 1r45 n ILE 202 Ca 0.10 -1.05 0.11 0.00 -0.27 0.00 0.00 62.75 61.64 1r45 n ILE 202 Cb 0.47 0.45 0.28 0.00 -1.74 0.00 0.00 39.64 39.10 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 0.00 0.52 0.41 7.28 3.58 -1.91 -0.71 116.42 125.59 1r45 h ASP 203 Ca 0.00 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1r45 h ASP 203 Cb 0.65 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.74 1r45 h ASP 203 CO 0.00 0.15 0.00 -2.65 -2.88 0.00 0.00 179.24 173.86 1r45 n PRO 204 N -4.91 0.08 -0.04 0.28 -0.02 -1.26 -2.07 135.00 127.06 1r45 n PRO 204 Ca 0.21 0.40 0.02 0.00 -2.02 0.00 0.00 63.50 62.10 1r45 n PRO 204 Cb 0.56 -1.67 0.04 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 -1.82 0.58 -2.65 4.25 -5.35 -0.34 -5.05 119.36 108.98 1r45 n ILE 205 Ca 0.02 -0.79 -0.34 0.00 -0.27 0.00 0.00 62.75 61.37 1r45 n ILE 205 Cb 0.14 0.75 -0.05 0.00 -1.74 0.00 0.00 39.64 38.74 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 -0.72 6.57 0.55 7.28 0.15 -0.80 -4.20 113.70 122.53 1r45 s SER 206 Ca 0.07 1.83 0.31 0.00 0.70 0.00 0.00 55.95 58.86 1r45 s SER 206 Cb 0.04 -2.55 1.56 0.00 -1.71 0.00 0.00 66.02 63.36 1r45 s SER 206 CO 0.05 -0.62 2.09 0.22 1.20 0.00 0.00 173.24 176.19 1r45 h TYR 207 N 1.68 0.00 -2.37 3.44 5.03 -1.84 -3.34 116.97 119.57 1r45 h TYR 207 Ca -0.49 0.00 -0.60 0.00 2.58 0.00 0.00 58.73 60.22 1r45 h TYR 207 Cb 1.20 0.00 -0.41 0.00 1.55 0.00 0.00 36.73 39.07 1r45 h TYR 207 CO 0.59 0.09 -0.68 1.19 -1.32 0.00 0.00 178.16 178.02 1r45 n PHE 208 N -3.45 2.77 -1.92 -3.82 3.72 -1.26 -5.01 117.46 108.49 1r45 n PHE 208 Ca -0.01 -4.07 -0.41 0.00 -0.05 0.00 0.00 57.45 52.91 1r45 n PHE 208 Cb 0.23 -0.50 -0.02 0.00 -0.94 0.00 0.00 39.48 38.26 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 -1.95 4.21 0.00 -1.08 0.04 -1.26 -2.47 135.00 132.49 1r45 s PRO 209 Ca 0.36 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.82 1r45 s PRO 209 Cb 0.10 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.59 1r45 s PRO 209 CO -0.07 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 176.91 1r45 n GLY 210 N 1.71 1.30 0.21 0.56 0.00 -1.26 -4.93 105.19 102.79 1r45 n GLY 210 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.22 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 1.86 0.00 -5.87 1.61 4.20 -1.88 -3.47 115.11 111.56 1r45 h GLN 211 Ca 0.00 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 58.32 1r45 h GLN 211 Cb 0.00 0.00 0.12 0.00 0.30 0.00 0.00 27.48 27.90 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 -2.78 -3.47 -4.75 1.46 4.77 -1.26 -4.63 117.00 106.33 1r45 n LEU 212 Ca 0.02 -0.63 -0.40 0.00 -0.03 0.00 0.00 56.01 54.96 1r45 n LEU 212 Cb 0.33 -2.96 -0.05 0.00 -2.33 0.00 0.00 43.42 38.41 1r45 n LEU 212 CO 0.26 0.51 0.74 -0.70 -1.33 0.00 0.00 177.39 176.87 1r45 s GLU 213 N -5.99 4.71 -0.18 3.23 2.12 -1.26 -1.71 118.70 119.62 1r45 s GLU 213 Ca 0.33 1.68 0.00 0.00 0.36 0.00 0.00 54.97 57.34 1r45 s GLU 213 Cb -0.15 -3.23 0.01 0.00 0.26 0.00 0.00 34.13 31.02 1r45 s GLU 213 CO 0.75 0.30 -0.17 0.08 -0.54 0.00 0.00 175.26 175.69 1r45 s VAL 214 N -1.06 2.39 -0.16 3.70 1.01 -0.28 -0.96 120.40 125.05 1r45 s VAL 214 Ca 0.44 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 1r45 s VAL 214 Cb -0.29 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 1r45 s VAL 214 CO 0.37 0.52 0.23 -0.22 0.00 0.00 0.00 175.10 176.00 1r45 s LEU 215 N 1.20 4.27 0.23 3.92 2.96 -0.16 -1.38 118.68 129.71 1r45 s LEU 215 Ca 0.02 0.45 0.09 0.00 -0.22 0.00 0.00 54.13 54.48 1r45 s LEU 215 Cb -0.14 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 1r45 s LEU 215 CO -0.08 0.18 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.32 1r45 s LEU 216 N 0.14 3.10 1.01 -0.68 1.43 0.00 -1.36 118.68 122.33 1r45 s LEU 216 Ca 0.14 -0.62 -0.14 0.00 -1.03 0.00 0.00 54.13 52.49 1r45 s LEU 216 Cb -0.13 -1.68 0.10 0.00 0.03 0.00 0.00 46.19 44.51 1r45 s LEU 216 CO 0.03 0.05 0.52 -2.65 0.23 0.00 0.00 176.35 174.52 1r45 n PRO 217 N -0.50 -0.90 -2.15 1.29 -0.02 -1.26 -2.00 135.00 129.46 1r45 n PRO 217 Ca -0.08 -0.22 -0.28 0.00 -2.02 0.00 0.00 63.50 60.89 1r45 n PRO 217 Cb 0.57 -1.95 0.04 0.00 -0.02 0.00 0.00 33.50 32.14 1r45 n PRO 217 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1r45 s ARG 218 N -3.86 2.88 -1.38 -0.52 1.70 -1.26 -3.70 118.95 112.82 1r45 s ARG 218 Ca 0.60 0.22 -0.09 0.00 -0.47 0.00 0.00 55.73 55.99 1r45 s ARG 218 Cb -0.20 -2.15 0.06 0.00 -0.57 0.00 0.00 34.95 32.09 1r45 s ARG 218 CO 0.65 -0.87 0.57 0.09 -1.08 0.00 0.00 175.30 174.67 1r45 n ASN 219 N -2.79 -4.35 -4.31 -2.89 4.13 -0.43 -4.89 115.26 99.72 1r45 n ASN 219 Ca 0.06 -0.42 -0.46 0.00 1.68 0.00 0.00 54.58 55.44 1r45 n ASN 219 Cb 0.57 -3.56 -0.04 0.00 -1.54 0.00 0.00 39.78 35.22 1r45 n ASN 219 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1r45 s ASN 220 N -2.78 6.43 0.35 6.41 3.04 -1.25 -4.90 114.94 122.23 1r45 s ASN 220 Ca 0.41 -2.30 -0.29 0.00 0.04 0.00 0.00 52.86 50.73 1r45 s ASN 220 Cb -0.21 -2.19 -0.11 0.00 -1.54 0.00 0.00 41.25 37.20 1r45 s ASN 220 CO 0.51 -0.69 1.49 -0.55 -3.04 0.00 0.00 177.10 174.82 1r45 s SER 221 N 2.72 6.40 0.08 -4.21 0.15 -1.26 -4.58 113.70 113.00 1r45 s SER 221 Ca 0.11 2.98 0.04 0.00 0.70 0.00 0.00 55.95 59.78 1r45 s SER 221 Cb -0.19 -2.66 -0.03 0.00 -1.71 0.00 0.00 66.02 61.43 1r45 s SER 221 CO -0.04 -0.84 -0.11 -0.72 1.20 0.00 0.00 173.24 172.73 1r45 s TYR 222 N -0.82 1.05 -0.23 3.44 -0.85 -0.42 -4.83 117.35 114.70 1r45 s TYR 222 Ca 0.55 -0.57 -0.08 0.00 -0.52 0.00 0.00 57.07 56.45 1r45 s TYR 222 Cb -0.46 -0.58 -0.03 0.00 0.38 0.00 0.00 41.96 41.26 1r45 s TYR 222 CO 0.58 0.01 0.08 -0.47 -1.52 0.00 0.00 175.55 174.22 1r45 s TYR 223 N -1.92 3.15 -0.43 -3.49 5.04 -0.55 -0.90 117.35 118.24 1r45 s TYR 223 Ca 0.01 -0.20 -0.26 0.00 -2.44 0.00 0.00 57.07 54.18 1r45 s TYR 223 Cb -0.06 -2.19 0.02 0.00 0.35 0.00 0.00 41.96 40.08 1r45 s TYR 223 CO 0.01 -0.16 0.94 0.42 -1.34 0.00 0.00 175.55 175.42 1r45 s ILE 224 N 1.18 4.49 -0.34 3.14 1.01 -0.54 -0.35 121.20 129.78 1r45 s ILE 224 Ca 0.05 0.92 0.22 0.00 0.00 0.00 0.00 60.65 61.84 1r45 s ILE 224 Cb -0.14 -4.41 -0.22 0.00 0.01 0.00 0.00 42.46 37.69 1r45 s ILE 224 CO 0.04 -0.75 0.76 -1.54 0.00 0.00 0.00 174.94 173.44 1r45 n SER 225 N 7.08 0.42 -3.61 3.58 3.41 0.02 0.17 113.62 124.69 1r45 n SER 225 Ca 0.07 -0.15 -0.15 0.00 -0.26 0.00 0.00 58.87 58.37 1r45 n SER 225 Cb 0.48 1.34 -0.07 0.00 -0.26 0.00 0.00 64.21 65.70 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 -4.27 -0.60 -0.07 4.04 2.15 -1.17 -4.76 116.67 111.99 1r45 s ASP 226 Ca -0.02 0.90 -0.03 0.00 0.43 0.00 0.00 52.55 53.83 1r45 s ASP 226 Cb 0.14 0.86 0.04 0.00 -0.30 0.00 0.00 42.92 43.66 1r45 s ASP 226 CO 0.86 -0.41 0.16 -0.04 -0.17 0.00 0.00 175.17 175.57 1r45 s MET 227 N -0.50 0.10 0.03 4.34 -1.94 -1.26 -1.08 119.30 118.98 1r45 s MET 227 Ca -0.06 0.42 -0.01 0.00 -1.71 0.00 0.00 55.69 54.32 1r45 s MET 227 Cb -0.03 -0.18 -0.02 0.00 2.01 0.00 0.00 34.83 36.61 1r45 s MET 227 CO 0.05 -0.18 -0.00 -0.65 -0.01 0.00 0.00 175.02 174.22 1r45 s GLN 228 N 1.34 0.44 0.09 2.03 -1.52 -0.10 -4.99 119.66 116.95 1r45 s GLN 228 Ca -0.08 -0.78 -0.26 0.00 -1.95 0.00 0.00 55.36 52.30 1r45 s GLN 228 Cb -0.12 0.16 -0.06 0.00 -0.22 0.00 0.00 33.01 32.77 1r45 s GLN 228 CO -0.06 -0.08 0.79 0.42 -0.25 0.00 0.00 175.29 176.11 1r45 s ILE 229 N -2.26 4.60 0.88 1.08 1.01 -1.26 -0.30 121.20 124.95 1r45 s ILE 229 Ca -0.08 1.71 -0.11 0.00 0.00 0.00 0.00 60.65 62.17 1r45 s ILE 229 Cb -0.04 -4.15 0.12 0.00 0.01 0.00 0.00 42.46 38.40 1r45 s ILE 229 CO -0.04 0.40 1.10 -0.94 0.00 0.00 0.00 174.94 175.47 1r45 s SER 230 N -0.35 3.44 0.37 3.58 1.04 0.39 -4.87 113.70 117.29 1r45 s SER 230 Ca 0.39 1.84 0.13 0.00 0.48 0.00 0.00 55.95 58.78 1r45 s SER 230 Cb -0.22 -2.44 0.93 0.00 0.10 0.00 0.00 66.02 64.40 1r45 s SER 230 CO 0.25 -2.71 1.81 -0.65 0.98 0.00 0.00 173.24 172.92 1r45 h PRO 231 N -1.60 0.55 -0.02 4.02 0.11 -1.96 -0.76 132.00 132.34 1r45 h PRO 231 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1r45 h PRO 231 Cb 1.26 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1r45 h PRO 231 CO 0.49 0.36 0.00 0.27 -0.21 0.00 0.00 178.00 178.91 1r45 n ASN 232 N -4.62 0.62 -0.17 -2.05 6.94 -1.26 -4.90 115.26 109.82 1r45 n ASN 232 Ca 0.22 -1.28 -0.02 0.00 -0.02 0.00 0.00 54.58 53.47 1r45 n ASN 232 Cb 0.66 -0.01 -0.01 0.00 -2.36 0.00 0.00 39.78 38.06 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 -0.48 -4.48 -0.17 0.53 3.02 -0.29 -4.86 115.26 108.52 1r45 n ASN 233 Ca 0.20 0.05 0.02 0.00 -0.03 0.00 0.00 54.58 54.83 1r45 n ASN 233 Cb 0.20 -2.18 0.02 0.00 -0.61 0.00 0.00 39.78 37.22 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 -1.31 0.31 -3.97 3.52 1.74 -1.26 -0.56 116.66 115.13 1r45 n ARG 234 Ca -0.02 -0.95 -0.10 0.00 -0.77 0.00 0.00 57.85 56.01 1r45 n ARG 234 Cb 0.28 -1.08 -0.11 0.00 -1.02 0.00 0.00 32.46 30.52 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 -0.48 0.28 -0.22 5.56 0.74 -1.26 -4.64 119.66 119.64 1r45 s GLN 235 Ca 0.05 -0.54 -0.10 0.00 0.05 0.00 0.00 55.36 54.83 1r45 s GLN 235 Cb 0.04 0.08 -0.05 0.00 1.10 0.00 0.00 33.01 34.17 1r45 s GLN 235 CO 0.05 -0.04 0.13 0.42 -0.55 0.00 0.00 175.29 175.30 1r45 s ILE 236 N -1.26 5.24 -0.27 -2.34 1.01 0.37 -0.46 121.20 123.49 1r45 s ILE 236 Ca -0.14 0.13 -0.08 0.00 0.00 0.00 0.00 60.65 60.57 1r45 s ILE 236 Cb -0.09 -3.42 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 1r45 s ILE 236 CO -0.01 0.39 0.10 -0.04 0.00 0.00 0.00 174.94 175.38 1r45 s MET 237 N 0.76 3.51 -0.08 2.79 -1.94 0.59 -1.10 119.30 123.84 1r45 s MET 237 Ca 0.07 -0.58 -0.00 0.00 -1.71 0.00 0.00 55.69 53.47 1r45 s MET 237 Cb -0.13 -3.40 -0.03 0.00 2.01 0.00 0.00 34.83 33.28 1r45 s MET 237 CO 0.02 -0.28 -0.06 0.42 -0.01 0.00 0.00 175.02 175.11 1r45 s ILE 238 N 1.61 3.77 -0.12 2.53 1.01 0.06 -0.92 121.20 129.14 1r45 s ILE 238 Ca 0.05 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 1r45 s ILE 238 Cb -0.16 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 1r45 s ILE 238 CO 0.04 0.59 -0.07 -0.89 0.00 0.00 0.00 174.94 174.61 1r45 s THR 239 N -0.65 3.62 0.04 2.92 2.01 -0.24 -0.30 115.64 123.05 1r45 s THR 239 Ca 0.10 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 61.66 1r45 s THR 239 Cb -0.12 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 1r45 s THR 239 CO 0.02 0.54 -0.11 0.00 -0.69 0.00 0.00 174.62 174.37 1r45 s ALA 240 N -0.04 0.90 -0.08 7.40 0.00 -0.11 -0.80 121.76 129.03 1r45 s ALA 240 Ca -0.00 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.22 1r45 s ALA 240 Cb -0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 22.90 1r45 s ALA 240 CO 0.03 0.11 -0.24 -1.64 0.00 0.00 0.00 175.76 174.03 1r45 s MET 241 N -1.33 2.74 -0.02 0.00 -1.94 0.53 -0.15 119.30 119.12 1r45 s MET 241 Ca -0.03 -0.86 0.05 0.00 -1.71 0.00 0.00 55.69 53.14 1r45 s MET 241 Cb -0.08 -2.18 -0.01 0.00 2.01 0.00 0.00 34.83 34.57 1r45 s MET 241 CO 0.01 0.26 -0.17 0.42 -0.01 0.00 0.00 175.02 175.53 1r45 s ILE 242 N 0.14 1.32 0.00 2.53 1.01 -0.13 -1.47 121.20 124.60 1r45 s ILE 242 Ca -0.12 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1r45 s ILE 242 Cb -0.16 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.20 1r45 s ILE 242 CO 0.06 0.38 0.31 0.49 0.00 0.00 0.00 174.94 176.18 1r45 n PHE 243 N 2.78 0.00 -1.31 3.97 3.72 -1.26 -1.99 117.46 123.37 1r45 n PHE 243 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 1r45 n PHE 243 Cb 0.54 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 1r45 n PHE 243 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07