#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cpe s VAL 5 N 0.00 0.65 -0.24 4.08 1.01 -1.26 -4.90 120.40 119.74 1cpe s VAL 5 Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1cpe s VAL 5 Cb 0.00 -0.60 0.06 0.00 0.00 0.00 0.00 36.38 35.84 1cpe s VAL 5 CO 0.00 0.22 -0.05 -1.00 0.00 0.00 0.00 175.10 174.27 1cpe s HIS 6 N 0.35 2.50 -0.13 5.22 3.76 -1.26 -5.06 115.29 120.66 1cpe s HIS 6 Ca -0.05 -1.85 -0.10 0.00 -0.15 0.00 0.00 55.06 52.91 1cpe s HIS 6 Cb -0.09 -1.66 -0.05 0.00 1.11 0.00 0.00 32.58 31.89 1cpe s HIS 6 CO 0.00 -0.79 0.19 0.08 -0.85 0.00 0.00 174.74 173.37 1cpe s VAL 7 N 1.36 5.40 0.24 -0.90 1.01 -1.26 -0.54 120.40 125.70 1cpe s VAL 7 Ca -0.05 0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 1cpe s VAL 7 Cb -0.19 -3.49 -0.10 0.00 0.00 0.00 0.00 36.38 32.61 1cpe s VAL 7 CO -0.07 0.54 1.45 0.00 0.00 0.00 0.00 175.10 177.02 1cpe s ALA 8 N -0.46 3.64 -0.24 5.51 0.00 -0.18 -4.86 121.76 125.16 1cpe s ALA 8 Ca 0.14 1.32 -0.01 0.00 0.00 0.00 0.00 51.96 53.41 1cpe s ALA 8 Cb -0.12 -3.56 0.07 0.00 0.00 0.00 0.00 23.12 19.51 1cpe s ALA 8 CO 0.03 -0.74 0.02 0.45 0.00 0.00 0.00 175.76 175.53 1cpe s SER 9 N 0.45 3.52 0.17 0.00 0.15 0.22 -4.68 113.70 113.53 1cpe s SER 9 Ca 0.60 -1.16 -0.34 0.00 0.70 0.00 0.00 55.95 55.75 1cpe s SER 9 Cb -0.42 -0.86 -0.15 0.00 -1.71 0.00 0.00 66.02 62.88 1cpe s SER 9 CO 0.42 -0.31 1.39 0.52 1.20 0.00 0.00 173.24 176.45 1cpe n VAL 10 N 4.87 0.43 -1.68 4.45 0.31 -1.26 -4.37 118.33 121.08 1cpe n VAL 10 Ca -0.08 -0.11 -0.48 0.00 -0.01 0.00 0.00 64.34 63.67 1cpe n VAL 10 Cb 0.45 -1.20 -0.05 0.00 -0.91 0.00 0.00 33.84 32.14 1cpe n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1cpe n GLU 11 N 2.48 2.23 -1.58 5.55 4.71 -1.26 -4.70 120.64 128.08 1cpe n GLU 11 Ca 0.15 0.82 -0.58 0.00 -0.01 0.00 0.00 57.16 57.54 1cpe n GLU 11 Cb 0.26 -2.66 -0.08 0.00 -1.01 0.00 0.00 31.44 27.95 1cpe n GLU 11 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1cpe n LYS 12 N 6.29 0.77 -1.27 3.49 3.00 -1.26 -2.05 118.16 127.13 1cpe n LYS 12 Ca 0.22 0.26 -0.09 0.00 -0.00 0.00 0.00 58.31 58.69 1cpe n LYS 12 Cb 0.30 -1.99 -0.04 0.00 0.00 0.00 0.00 35.03 33.30 1cpe n LYS 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1cpe n GLY 13 N 5.28 1.06 3.87 3.14 0.00 -1.26 -5.04 105.19 112.24 1cpe n GLY 13 Ca 0.35 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1cpe n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cpe s ARG 14 N -2.62 3.76 0.12 1.61 1.81 -0.87 -5.08 118.95 117.68 1cpe s ARG 14 Ca 0.00 0.17 0.01 0.00 -1.72 0.00 0.00 55.73 54.19 1cpe s ARG 14 Cb 0.00 -2.90 -0.00 0.00 -0.45 0.00 0.00 34.95 31.59 1cpe s ARG 14 CO 0.00 0.49 0.04 -1.13 -0.68 0.00 0.00 175.30 174.02 1cpe n SER 15 N 0.56 1.21 -0.24 0.23 3.41 -1.26 -4.88 113.62 112.65 1cpe n SER 15 Ca -0.05 -1.62 -0.07 0.00 -0.26 0.00 0.00 58.87 56.86 1cpe n SER 15 Cb 0.52 0.27 -0.06 0.00 -0.26 0.00 0.00 64.21 64.68 1cpe n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1cpe h TYR 16 N 1.18 -1.19 -1.15 7.33 3.20 -1.99 0.34 116.97 124.68 1cpe h TYR 16 Ca -0.10 0.08 0.33 0.00 3.14 0.00 0.00 58.73 62.18 1cpe h TYR 16 Cb 0.35 0.60 -0.10 0.00 1.54 0.00 0.00 36.73 39.12 1cpe h TYR 16 CO 0.00 -0.25 0.75 0.93 -1.64 0.00 0.00 178.16 177.95 1cpe h GLU 17 N -0.04 0.25 -0.44 1.82 3.07 -1.99 0.70 114.58 117.95 1cpe h GLU 17 Ca 0.09 -0.02 -0.12 0.00 -0.50 0.00 0.00 59.36 58.81 1cpe h GLU 17 Cb 0.28 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1cpe h GLU 17 CO -0.57 0.17 -0.21 -0.44 -1.40 0.00 0.00 179.01 176.56 1cpe h ASP 18 N 0.26 0.95 -0.13 1.42 3.32 -0.72 -3.05 116.42 118.46 1cpe h ASP 18 Ca 0.67 -0.40 -0.16 0.00 0.02 0.00 0.00 57.03 57.15 1cpe h ASP 18 Cb 1.92 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 41.21 1cpe h ASP 18 CO -0.31 1.14 -0.51 -0.26 -1.72 0.00 0.00 179.24 177.58 1cpe h PHE 19 N 0.75 0.87 -0.57 4.55 0.04 0.81 -2.92 116.94 120.47 1cpe h PHE 19 Ca 0.10 -0.29 0.15 0.00 2.80 0.00 0.00 57.97 60.72 1cpe h PHE 19 Cb 0.78 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.73 1cpe h PHE 19 CO 0.06 1.06 0.40 0.37 -0.60 0.00 0.00 178.31 179.60 1cpe h GLN 20 N 0.55 0.09 -0.26 1.51 5.75 -0.85 -0.27 115.11 121.64 1cpe h GLN 20 Ca 0.02 -0.01 -0.18 0.00 -0.15 0.00 0.00 58.65 58.34 1cpe h GLN 20 Cb 1.07 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.60 1cpe h GLN 20 CO 0.10 0.06 -0.56 0.87 -2.65 0.00 0.00 178.83 176.66 1cpe h LYS 21 N 0.10 0.78 -0.35 1.69 1.57 -1.41 0.03 116.57 118.97 1cpe h LYS 21 Ca 0.27 -0.50 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 1cpe h LYS 21 Cb 0.95 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 1cpe h LYS 21 CO -0.03 1.13 0.06 0.28 -0.57 0.00 0.00 179.45 180.32 1cpe h VAL 22 N 0.60 1.24 0.01 0.50 2.07 -1.03 -0.92 116.25 118.72 1cpe h VAL 22 Ca 0.01 -0.84 0.03 0.00 0.82 0.00 0.00 66.70 66.72 1cpe h VAL 22 Cb 1.15 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 1cpe h VAL 22 CO 0.12 0.28 -0.32 0.22 0.02 0.00 0.00 177.57 177.89 1cpe h TYR 23 N 0.43 -0.87 -1.00 1.57 5.03 -1.20 -0.45 116.97 120.48 1cpe h TYR 23 Ca 0.11 0.03 0.09 0.00 2.58 0.00 0.00 58.73 61.53 1cpe h TYR 23 Cb 0.36 0.38 -0.07 0.00 1.55 0.00 0.00 36.73 38.94 1cpe h TYR 23 CO 0.02 -0.41 0.64 -0.91 -1.32 0.00 0.00 178.16 176.18 1cpe h ASN 24 N -0.47 0.98 -0.66 -2.11 -0.26 -0.86 0.18 115.58 112.38 1cpe h ASN 24 Ca 0.06 0.03 -0.06 0.00 -0.56 0.00 0.00 56.30 55.76 1cpe h ASN 24 Cb 0.56 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.61 1cpe h ASN 24 CO -0.26 0.59 0.18 0.00 -1.06 0.00 0.00 177.43 176.88 1cpe h ALA 25 N 1.49 1.04 -0.31 -0.83 0.00 -0.06 0.16 119.26 120.76 1cpe h ALA 25 Ca 0.46 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1cpe h ALA 25 Cb 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1cpe h ALA 25 CO -0.21 0.64 -0.02 0.82 0.00 0.00 0.00 179.25 180.47 1cpe h ILE 26 N 1.01 1.26 -0.60 0.00 2.04 0.33 -2.31 117.51 119.25 1cpe h ILE 26 Ca 0.22 -0.99 0.01 0.00 1.00 0.00 0.00 64.86 65.09 1cpe h ILE 26 Cb 0.33 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1cpe h ILE 26 CO -0.00 0.32 0.40 0.00 0.00 0.00 0.00 178.15 178.87 1cpe h ALA 27 N 0.83 0.76 -0.22 1.87 0.00 -0.44 0.14 119.26 122.19 1cpe h ALA 27 Ca 0.08 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1cpe h ALA 27 Cb 0.47 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1cpe h ALA 27 CO 0.02 0.19 -0.28 -0.07 0.00 0.00 0.00 179.25 179.12 1cpe h LEU 28 N 0.81 0.43 -0.71 0.00 3.38 -0.62 -1.91 115.31 116.68 1cpe h LEU 28 Ca 0.22 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1cpe h LEU 28 Cb -0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1cpe h LEU 28 CO -0.05 0.70 -0.58 0.50 0.09 0.00 0.00 178.44 179.10 1cpe h LYS 29 N 0.37 0.20 -0.77 1.13 3.64 -0.78 -2.04 116.57 118.32 1cpe h LYS 29 Ca 0.05 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1cpe h LYS 29 Cb 0.68 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 1cpe h LYS 29 CO 0.05 0.72 0.32 -0.07 -2.27 0.00 0.00 179.45 178.20 1cpe h LEU 30 N 0.15 1.05 -0.60 5.20 3.38 -0.21 -0.76 115.31 123.52 1cpe h LEU 30 Ca -0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1cpe h LEU 30 Cb 1.06 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1cpe h LEU 30 CO 0.09 0.93 0.31 -0.09 0.09 0.00 0.00 178.44 179.77 1cpe h ARG 31 N 1.11 0.85 -0.14 1.13 2.43 -1.08 -3.26 114.38 115.41 1cpe h ARG 31 Ca 0.26 -0.11 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 1cpe h ARG 31 Cb 0.19 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1cpe h ARG 31 CO -0.02 0.66 -0.39 1.49 -1.51 0.00 0.00 179.97 180.21 1cpe h GLU 32 N 0.82 0.51 -2.33 0.20 4.81 -1.01 -3.34 114.58 114.23 1cpe h GLU 32 Ca 0.21 -0.36 -0.56 0.00 -0.13 0.00 0.00 59.36 58.52 1cpe h GLU 32 Cb 0.07 0.06 -0.12 0.00 0.63 0.00 0.00 28.75 29.39 1cpe h GLU 32 CO -0.03 0.98 1.40 -0.25 -0.73 0.00 0.00 179.01 180.37 1cpe n ASP 33 N -4.31 7.13 -0.05 1.04 9.92 -0.32 -4.72 116.55 125.23 1cpe n ASP 33 Ca -0.07 -3.01 0.02 0.00 -0.53 0.00 0.00 54.79 51.20 1cpe n ASP 33 Cb 0.53 -1.34 0.10 0.00 -0.64 0.00 0.00 41.12 39.77 1cpe n ASP 33 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1cpe n ASP 34 N 1.70 0.15 0.06 -2.24 5.75 -1.26 -3.90 116.55 116.82 1cpe n ASP 34 Ca 0.56 -1.91 0.12 0.00 -0.01 0.00 0.00 54.79 53.55 1cpe n ASP 34 Cb 0.46 -0.02 0.06 0.00 -1.03 0.00 0.00 41.12 40.58 1cpe n ASP 34 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1cpe n GLU 35 N -0.46 0.39 -1.57 0.11 1.02 -1.26 -4.04 120.64 114.82 1cpe n GLU 35 Ca 0.03 0.05 -0.50 0.00 -0.02 0.00 0.00 57.16 56.72 1cpe n GLU 35 Cb 0.04 -1.68 -0.05 0.00 -0.02 0.00 0.00 31.44 29.73 1cpe n GLU 35 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1cpe n TYR 36 N -2.21 1.29 -3.68 -0.32 9.36 -1.25 -1.06 117.16 119.29 1cpe n TYR 36 Ca 0.02 0.69 -0.29 0.00 3.32 0.00 0.00 57.90 61.64 1cpe n TYR 36 Cb 0.47 -2.28 0.04 0.00 -0.63 0.00 0.00 39.34 36.94 1cpe n TYR 36 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1cpe n ASP 37 N 2.15 -4.66 -3.83 2.98 -0.08 -1.26 -1.13 116.55 110.72 1cpe n ASP 37 Ca 0.16 -0.98 -0.25 0.00 -1.51 0.00 0.00 54.79 52.21 1cpe n ASP 37 Cb 0.22 -3.52 0.01 0.00 2.34 0.00 0.00 41.12 40.16 1cpe n ASP 37 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1cpe n ASN 38 N -2.77 -1.35 -0.46 1.67 6.94 -1.04 -2.28 115.26 115.98 1cpe n ASN 38 Ca -0.13 -0.95 -0.06 0.00 -0.02 0.00 0.00 54.58 53.43 1cpe n ASN 38 Cb 0.61 -3.44 -0.03 0.00 -2.36 0.00 0.00 39.78 34.56 1cpe n ASN 38 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1cpe n TYR 39 N -4.32 0.00 0.08 -2.53 4.02 -0.22 -4.88 117.16 109.31 1cpe n TYR 39 Ca -0.28 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.46 1cpe n TYR 39 Cb 0.67 -1.46 -0.14 0.00 -0.02 0.00 0.00 39.34 38.39 1cpe n TYR 39 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1cpe h ILE 40 N 0.00 1.32 0.00 -0.72 2.04 -0.69 -3.47 117.51 115.99 1cpe h ILE 40 Ca -0.12 -2.93 0.00 0.00 1.00 0.00 0.00 64.86 62.80 1cpe h ILE 40 Cb 0.52 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 1cpe h ILE 40 CO 0.18 0.85 0.00 0.61 0.00 0.00 0.00 178.15 179.79 1cpe n GLY 41 N 1.59 0.55 0.52 5.37 0.00 -0.63 -4.65 105.19 107.94 1cpe n GLY 41 Ca -0.12 -2.03 0.14 0.00 0.00 0.00 0.00 46.02 44.01 1cpe n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cpe n TYR 42 N 0.52 0.00 -0.00 1.61 4.02 -1.26 -4.46 117.16 117.59 1cpe n TYR 42 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.74 1cpe n TYR 42 Cb 0.00 -0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.22 1cpe n TYR 42 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1cpe h GLY 43 N 4.84 -1.10 0.71 2.72 0.00 -1.94 -2.55 103.07 105.75 1cpe h GLY 43 Ca 0.00 0.68 0.04 0.00 0.00 0.00 0.00 47.33 48.05 1cpe h GLY 43 CO 0.00 -0.20 0.12 -2.55 0.00 0.00 0.00 176.54 173.90 1cpe h PRO 44 N -0.59 0.25 -0.19 4.80 0.11 -1.89 -2.23 132.00 132.27 1cpe h PRO 44 Ca 0.03 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.17 1cpe h PRO 44 Cb 0.68 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 1cpe h PRO 44 CO -0.43 0.17 0.13 -0.24 -0.21 0.00 0.00 178.00 177.42 1cpe h VAL 45 N 0.26 0.94 -0.30 3.15 3.04 -1.79 -1.31 116.25 120.24 1cpe h VAL 45 Ca 0.15 -0.02 -0.17 0.00 -1.01 0.00 0.00 66.70 65.65 1cpe h VAL 45 Cb 0.12 0.87 -0.00 0.00 -2.01 0.00 0.00 31.29 30.27 1cpe h VAL 45 CO -0.16 0.01 -0.48 -0.07 -1.01 0.00 0.00 177.57 175.87 1cpe h LEU 46 N 0.06 0.88 -0.43 3.16 3.38 -1.01 0.22 115.31 121.58 1cpe h LEU 46 Ca 0.08 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 1cpe h LEU 46 Cb 0.26 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1cpe h LEU 46 CO -0.01 1.21 0.16 0.58 0.09 0.00 0.00 178.44 180.48 1cpe h VAL 47 N 0.64 1.20 -0.70 1.22 2.07 -0.75 -0.60 116.25 119.33 1cpe h VAL 47 Ca 0.03 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 1cpe h VAL 47 Cb 1.06 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1cpe h VAL 47 CO 0.11 0.23 0.24 -0.09 0.02 0.00 0.00 177.57 178.07 1cpe h ARG 48 N 0.55 1.08 -0.17 1.57 2.43 -1.03 -1.39 114.38 117.42 1cpe h ARG 48 Ca 0.14 -0.22 0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1cpe h ARG 48 Cb 0.20 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1cpe h ARG 48 CO -0.01 0.92 0.02 1.25 -1.51 0.00 0.00 179.97 180.64 1cpe h LEU 49 N 1.03 -0.03 -0.95 3.80 5.85 -0.04 0.16 115.31 125.13 1cpe h LEU 49 Ca 0.23 0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.02 1cpe h LEU 49 Cb 0.28 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 1cpe h LEU 49 CO -0.01 0.01 0.61 0.00 -0.34 0.00 0.00 178.44 178.71 1cpe h ALA 50 N 1.13 1.27 -0.30 1.25 0.00 -0.79 -1.69 119.26 120.13 1cpe h ALA 50 Ca 0.08 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1cpe h ALA 50 Cb 0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1cpe h ALA 50 CO -0.11 0.46 -0.09 2.35 0.00 0.00 0.00 179.25 181.86 1cpe h TRP 51 N 1.17 0.67 -0.38 0.00 2.91 -0.80 -3.01 115.95 116.51 1cpe h TRP 51 Ca 0.39 -0.15 -0.04 0.00 1.13 0.00 0.00 58.89 60.21 1cpe h TRP 51 Cb 0.05 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 28.52 1cpe h TRP 51 CO -0.01 0.79 0.05 0.45 -1.03 0.00 0.00 178.44 178.69 1cpe h HIS 52 N 0.36 0.58 0.00 2.65 3.86 -0.43 0.93 115.15 123.10 1cpe h HIS 52 Ca 0.07 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1cpe h HIS 52 Cb 0.58 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1cpe h HIS 52 CO 0.05 0.54 0.00 -0.84 0.86 0.00 0.00 177.93 178.54 1cpe h ILE 53 N 0.55 0.00 0.00 2.45 -0.00 -1.34 -3.26 117.51 115.91 1cpe h ILE 53 Ca 0.12 -0.60 -0.24 0.00 -0.00 0.00 0.00 64.86 64.15 1cpe h ILE 53 Cb 0.28 1.54 -0.04 0.00 -0.00 0.00 0.00 36.82 38.60 1cpe h ILE 53 CO 0.00 0.00 -2.01 -1.20 -0.00 0.00 0.00 178.15 174.95 1cpe n SER 54 N -2.74 0.30 0.00 2.16 7.64 -0.80 -2.90 113.62 117.28 1cpe n SER 54 Ca 0.03 0.13 0.15 0.00 1.01 0.00 0.00 58.87 60.20 1cpe n SER 54 Cb 0.39 0.89 0.89 0.00 -1.01 0.00 0.00 64.21 65.36 1cpe n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cpe n GLY 55 N 1.55 -1.02 0.04 0.23 0.00 0.26 -3.17 105.19 103.07 1cpe n GLY 55 Ca -0.20 -0.18 0.15 0.00 0.00 0.00 0.00 46.02 45.79 1cpe n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cpe n THR 56 N -1.05 0.00 -1.76 2.61 -2.24 -1.26 -4.63 114.28 105.95 1cpe n THR 56 Ca 0.21 -0.02 -0.39 0.00 -2.27 0.00 0.00 64.05 61.58 1cpe n THR 56 Cb 0.13 -0.37 0.04 0.00 -2.10 0.00 0.00 70.33 68.02 1cpe n THR 56 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1cpe s TRP 57 N -2.32 2.28 -0.33 4.78 -0.00 -1.19 -4.22 118.94 117.94 1cpe s TRP 57 Ca 0.36 1.33 0.00 0.00 -0.00 0.00 0.00 56.10 57.80 1cpe s TRP 57 Cb 0.21 -3.86 0.10 0.00 -0.00 0.00 0.00 33.47 29.92 1cpe s TRP 57 CO 0.43 -3.01 0.11 0.34 -0.00 0.00 0.00 176.95 174.81 1cpe s ASP 58 N -0.82 4.10 0.59 5.86 -1.08 -0.81 -4.71 116.67 119.80 1cpe s ASP 58 Ca 0.70 -1.85 0.21 0.00 -0.52 0.00 0.00 52.55 51.09 1cpe s ASP 58 Cb -0.42 -1.01 1.15 0.00 -1.46 0.00 0.00 42.92 41.18 1cpe s ASP 58 CO 0.51 -0.39 1.62 0.07 0.52 0.00 0.00 175.17 177.50 1cpe h LYS 59 N 7.84 0.00 -0.00 4.34 2.10 -1.76 0.23 116.57 129.32 1cpe h LYS 59 Ca -0.10 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.38 1cpe h LYS 59 Cb 1.00 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.35 1cpe h LYS 59 CO 0.48 0.00 -0.65 0.45 -2.00 0.00 0.00 179.45 177.73 1cpe h HIS 60 N 0.00 0.66 0.00 0.07 3.86 -1.94 -3.38 115.15 114.42 1cpe h HIS 60 Ca 0.00 -0.36 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 1cpe h HIS 60 Cb 0.90 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.30 1cpe h HIS 60 CO 0.00 1.18 0.00 -0.40 0.86 0.00 0.00 177.93 179.57 1cpe n ASP 61 N -4.17 1.35 -0.30 2.45 5.68 -0.84 -5.01 116.55 115.71 1cpe n ASP 61 Ca -0.10 -1.48 -0.04 0.00 -0.50 0.00 0.00 54.79 52.67 1cpe n ASP 61 Cb 0.70 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.66 1cpe n ASP 61 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1cpe n ASN 62 N -0.24 -4.59 -4.88 -1.12 4.05 0.76 -4.40 115.26 104.84 1cpe n ASN 62 Ca 0.00 0.10 -0.30 0.00 0.45 0.00 0.00 54.58 54.83 1cpe n ASN 62 Cb 0.17 -2.44 0.08 0.00 1.23 0.00 0.00 39.78 38.81 1cpe n ASN 62 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1cpe s THR 63 N -1.78 2.70 0.00 -0.44 -4.23 -1.25 -4.85 115.64 105.79 1cpe s THR 63 Ca 0.00 0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.74 1cpe s THR 63 Cb 0.00 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.66 1cpe s THR 63 CO 0.00 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 1cpe n GLY 64 N -3.00 0.36 0.00 3.99 0.00 -1.26 -1.92 105.19 103.35 1cpe n GLY 64 Ca 0.07 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1cpe n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cpe n GLY 65 N 0.00 -0.70 0.20 -0.02 0.00 -1.26 -4.66 105.19 98.75 1cpe n GLY 65 Ca 0.00 -1.69 0.14 0.00 0.00 0.00 0.00 46.02 44.47 1cpe n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1cpe h SER 66 N 0.00 0.00 -0.49 1.61 4.64 -1.75 -3.39 113.55 114.17 1cpe h SER 66 Ca 0.00 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.41 1cpe h SER 66 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 61.99 1cpe h SER 66 CO 0.00 0.00 -0.34 0.22 -0.87 0.00 0.00 176.83 175.84 1cpe h TYR 67 N 0.00 -0.96 0.00 4.77 5.03 -1.86 -3.09 116.97 120.86 1cpe h TYR 67 Ca 0.00 0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.38 1cpe h TYR 67 Cb 0.54 0.49 0.00 0.00 1.55 0.00 0.00 36.73 39.31 1cpe h TYR 67 CO 0.00 -0.39 0.00 0.41 -1.32 0.00 0.00 178.16 176.86 1cpe n GLY 68 N -1.42 -1.18 2.50 1.82 0.00 -1.24 -2.32 105.19 103.35 1cpe n GLY 68 Ca 0.02 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 1cpe n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cpe n GLY 69 N 0.69 0.93 0.35 -0.02 0.00 -1.17 -1.58 105.19 104.39 1cpe n GLY 69 Ca 0.07 -0.04 0.18 0.00 0.00 0.00 0.00 46.02 46.23 1cpe n GLY 69 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1cpe h THR 70 N 0.00 0.34 -0.88 2.61 1.35 -1.88 -2.36 112.91 112.09 1cpe h THR 70 Ca -0.44 0.00 0.26 0.00 -0.55 0.00 0.00 66.41 65.68 1cpe h THR 70 Cb 1.33 0.78 -0.04 0.00 -1.73 0.00 0.00 68.15 68.50 1cpe h THR 70 CO 0.59 0.00 0.70 0.22 -0.25 0.00 0.00 175.52 176.78 1cpe h TYR 71 N 0.00 0.00 0.00 4.73 3.20 -1.94 0.16 116.97 123.13 1cpe h TYR 71 Ca 0.09 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1cpe h TYR 71 Cb 0.60 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.87 1cpe h TYR 71 CO 0.00 0.00 0.00 2.89 -1.64 0.00 0.00 178.16 179.41 1cpe n ARG 72 N -4.03 0.14 -3.67 1.82 1.85 -0.89 -3.44 116.66 108.44 1cpe n ARG 72 Ca 0.18 0.50 -0.32 0.00 -1.00 0.00 0.00 57.85 57.22 1cpe n ARG 72 Cb 1.01 -1.84 -0.05 0.00 -1.05 0.00 0.00 32.46 30.54 1cpe n ARG 72 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1cpe s PHE 73 N -3.35 3.48 0.17 2.89 0.08 0.57 -4.93 117.98 116.90 1cpe s PHE 73 Ca 0.01 0.57 -0.26 0.00 0.12 0.00 0.00 56.93 57.37 1cpe s PHE 73 Cb 0.07 -2.01 0.04 0.00 -0.57 0.00 0.00 43.02 40.55 1cpe s PHE 73 CO 0.27 0.44 1.56 0.87 -0.10 0.00 0.00 175.22 178.25 1cpe h LYS 74 N 2.88 -0.15 -0.75 0.44 1.79 -1.87 -0.17 116.57 118.74 1cpe h LYS 74 Ca -0.46 0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.09 1cpe h LYS 74 Cb 1.17 0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 31.76 1cpe h LYS 74 CO 0.72 -0.10 -0.46 -0.22 -1.08 0.00 0.00 179.45 178.31 1cpe h LYS 75 N -0.16 -0.02 -0.15 3.15 3.64 -1.94 -0.26 116.57 120.83 1cpe h LYS 75 Ca 0.20 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1cpe h LYS 75 Cb 0.54 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1cpe h LYS 75 CO -0.78 -0.01 0.05 1.49 -2.27 0.00 0.00 179.45 177.93 1cpe h GLU 76 N -0.02 0.23 -0.57 1.90 4.81 -1.79 -3.01 114.58 116.13 1cpe h GLU 76 Ca 0.12 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1cpe h GLU 76 Cb 0.33 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1cpe h GLU 76 CO -0.71 0.33 0.38 0.35 -0.73 0.00 0.00 179.01 178.63 1cpe h PHE 77 N 0.08 0.68 -0.18 0.92 3.57 -0.58 -1.86 116.94 119.55 1cpe h PHE 77 Ca 0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1cpe h PHE 77 Cb 0.20 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.71 1cpe h PHE 77 CO -0.01 0.41 0.00 0.09 -2.23 0.00 0.00 178.31 176.57 1cpe n ASN 78 N -4.46 1.51 -4.72 0.41 3.02 -0.15 -4.85 115.26 106.02 1cpe n ASN 78 Ca 0.06 -1.75 -0.42 0.00 -0.03 0.00 0.00 54.58 52.44 1cpe n ASN 78 Cb 0.09 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 1cpe n ASN 78 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1cpe n ASP 79 N 0.24 4.02 -0.25 6.41 -0.08 -0.70 -4.84 116.55 121.34 1cpe n ASP 79 Ca 0.15 1.07 0.12 0.00 -1.51 0.00 0.00 54.79 54.61 1cpe n ASP 79 Cb 0.29 -1.58 0.39 0.00 2.34 0.00 0.00 41.12 42.56 1cpe n ASP 79 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1cpe h PRO 80 N 6.68 0.64 0.00 -0.67 0.11 -1.91 0.31 132.00 137.16 1cpe h PRO 80 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1cpe h PRO 80 Cb 1.20 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1cpe h PRO 80 CO 0.95 0.43 0.00 0.43 -0.21 0.00 0.00 178.00 179.60 1cpe n SER 81 N -4.54 0.61 -1.13 -2.05 7.64 -1.26 -2.28 113.62 110.62 1cpe n SER 81 Ca 0.16 0.68 0.10 0.00 1.01 0.00 0.00 58.87 60.82 1cpe n SER 81 Cb 0.46 -0.80 0.27 0.00 -1.01 0.00 0.00 64.21 63.13 1cpe n SER 81 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1cpe n ASN 82 N -2.21 3.67 -4.64 6.43 3.02 0.09 -5.00 115.26 116.62 1cpe n ASN 82 Ca 0.01 -2.04 -0.48 0.00 -0.03 0.00 0.00 54.58 52.04 1cpe n ASN 82 Cb 0.18 -0.41 -0.04 0.00 -0.61 0.00 0.00 39.78 38.89 1cpe n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cpe n ALA 83 N 1.21 0.58 0.00 5.41 0.00 -0.96 -0.90 120.51 125.85 1cpe n ALA 83 Ca 0.20 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.11 1cpe n ALA 83 Cb 0.58 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1cpe n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cpe n GLY 84 N 2.94 3.16 0.21 0.00 0.00 -1.26 -4.87 105.19 105.37 1cpe n GLY 84 Ca 0.17 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.33 1cpe n GLY 84 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1cpe h LEU 85 N 0.00 0.00 -2.37 0.99 3.38 -1.41 -2.79 115.31 113.11 1cpe h LEU 85 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1cpe h LEU 85 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1cpe h LEU 85 CO 0.00 0.00 0.09 0.06 0.09 0.00 0.00 178.44 178.68 1cpe h GLN 86 N 0.00 0.00 -0.30 1.13 -0.00 -1.90 0.26 115.11 114.30 1cpe h GLN 86 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.53 1cpe h GLN 86 Cb 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.81 1cpe h GLN 86 CO 0.00 0.00 -0.31 -0.91 -0.00 0.00 0.00 178.83 177.61 1cpe h ASN 87 N 0.00 0.65 0.53 0.06 2.35 -1.89 -1.09 115.58 116.18 1cpe h ASN 87 Ca 0.04 -0.25 -0.19 0.00 -0.55 0.00 0.00 56.30 55.34 1cpe h ASN 87 Cb 0.21 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1cpe h ASN 87 CO -0.00 0.92 -0.83 1.23 -1.65 0.00 0.00 177.43 177.10 1cpe h GLY 88 N 1.01 0.24 1.01 2.83 0.00 -1.16 -1.86 103.07 105.14 1cpe h GLY 88 Ca 0.06 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 1cpe h GLY 88 CO 0.07 0.35 -0.46 -2.75 0.00 0.00 0.00 176.54 173.74 1cpe h PHE 89 N 0.13 -1.19 -1.00 5.60 3.57 -1.23 -1.35 116.94 121.46 1cpe h PHE 89 Ca -0.04 -0.03 0.19 0.00 3.53 0.00 0.00 57.97 61.63 1cpe h PHE 89 Cb 1.44 0.39 -0.11 0.00 2.79 0.00 0.00 35.95 40.46 1cpe h PHE 89 CO 0.03 -0.74 0.61 0.87 -2.23 0.00 0.00 178.31 176.85 1cpe h LYS 90 N -1.29 0.72 -0.80 1.11 1.57 -1.22 0.15 116.57 116.81 1cpe h LYS 90 Ca -0.13 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1cpe h LYS 90 Cb 0.99 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 33.09 1cpe h LYS 90 CO 0.22 0.47 0.52 0.35 -0.57 0.00 0.00 179.45 180.44 1cpe h PHE 91 N 0.74 0.98 0.00 -1.35 3.04 -0.81 -2.99 116.94 116.54 1cpe h PHE 91 Ca 0.58 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 62.44 1cpe h PHE 91 Cb 0.94 -0.33 -0.02 0.00 2.56 0.00 0.00 35.95 39.10 1cpe h PHE 91 CO -0.00 0.59 -0.53 -0.07 -2.02 0.00 0.00 178.31 176.28 1cpe h LEU 92 N 1.03 0.00 -0.72 0.59 3.38 0.35 -3.38 115.31 116.57 1cpe h LEU 92 Ca 0.31 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.38 1cpe h LEU 92 Cb -0.05 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.58 1cpe h LEU 92 CO -0.09 0.53 -0.42 -0.08 0.09 0.00 0.00 178.44 178.47 1cpe h GLU 93 N 0.00 -0.14 0.00 1.13 4.81 -1.02 0.43 114.58 119.79 1cpe h GLU 93 Ca -0.01 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1cpe h GLU 93 Cb 1.21 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 1cpe h GLU 93 CO 0.07 -0.09 -0.04 -1.00 -0.73 0.00 0.00 179.01 177.22 1cpe h PRO 94 N -0.14 0.00 -0.21 0.92 0.13 -1.75 -2.03 132.00 128.92 1cpe h PRO 94 Ca 0.23 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.20 1cpe h PRO 94 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1cpe h PRO 94 CO -0.78 0.04 -0.49 0.82 -0.23 0.00 0.00 178.00 177.36 1cpe h ILE 95 N 0.00 1.31 -0.49 -3.56 2.04 -0.41 -2.02 117.51 114.39 1cpe h ILE 95 Ca -0.00 -1.71 -0.06 0.00 1.00 0.00 0.00 64.86 64.08 1cpe h ILE 95 Cb 0.17 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1cpe h ILE 95 CO 0.00 0.54 0.05 -0.74 0.00 0.00 0.00 178.15 178.00 1cpe h HIS 96 N 0.41 0.82 -0.60 1.37 2.76 -0.62 -1.19 115.15 118.10 1cpe h HIS 96 Ca -0.00 -0.10 -0.02 0.00 -2.20 0.00 0.00 60.37 58.04 1cpe h HIS 96 Cb 1.10 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.80 1cpe h HIS 96 CO 0.09 0.74 0.28 0.87 -1.30 0.00 0.00 177.93 178.60 1cpe h LYS 97 N 0.74 0.87 -0.31 5.26 1.57 -1.29 0.59 116.57 124.01 1cpe h LYS 97 Ca 0.15 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1cpe h LYS 97 Cb 0.39 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1cpe h LYS 97 CO 0.01 0.71 -0.04 1.49 -0.57 0.00 0.00 179.45 181.05 1cpe h GLU 98 N 0.82 0.49 -2.11 3.15 4.81 -0.61 -3.32 114.58 117.81 1cpe h GLU 98 Ca 0.20 -0.11 -0.58 0.00 -0.13 0.00 0.00 59.36 58.74 1cpe h GLU 98 Cb 0.14 -0.07 -0.40 0.00 0.63 0.00 0.00 28.75 29.05 1cpe h GLU 98 CO -0.02 0.55 -0.91 1.19 -0.73 0.00 0.00 179.01 179.08 1cpe n PHE 99 N -4.26 1.07 0.18 0.92 3.01 -0.52 -4.96 117.46 112.90 1cpe n PHE 99 Ca 0.01 -3.77 0.11 0.00 1.01 0.00 0.00 57.45 54.81 1cpe n PHE 99 Cb 0.27 -0.40 0.57 0.00 -0.01 0.00 0.00 39.48 39.90 1cpe n PHE 99 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1cpe n PRO 100 N 1.30 0.14 0.00 -1.08 -0.04 0.13 -2.35 135.00 133.10 1cpe n PRO 100 Ca 0.24 0.61 0.15 0.00 -0.04 0.00 0.00 63.50 64.47 1cpe n PRO 100 Cb 0.48 -1.94 0.71 0.00 -0.04 0.00 0.00 33.50 32.71 1cpe n PRO 100 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1cpe n TRP 101 N -2.24 0.00 -3.07 0.54 4.27 -1.26 -4.86 117.44 110.83 1cpe n TRP 101 Ca -0.01 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.23 1cpe n TRP 101 Cb 0.05 -0.10 -0.06 0.00 -1.36 0.00 0.00 31.31 29.84 1cpe n TRP 101 CO 0.00 0.00 0.00 -1.50 -2.29 0.00 0.00 177.69 173.90 1cpe s ILE 102 N -2.25 4.52 0.77 -1.67 2.07 -0.99 -4.92 121.20 118.73 1cpe s ILE 102 Ca 0.36 1.39 -0.11 0.00 -1.41 0.00 0.00 60.65 60.88 1cpe s ILE 102 Cb 0.21 -3.92 0.05 0.00 0.13 0.00 0.00 42.46 38.93 1cpe s ILE 102 CO 0.42 0.28 1.09 -0.94 -1.91 0.00 0.00 174.94 173.88 1cpe s SER 103 N -1.52 4.75 0.07 4.50 1.04 -1.26 -4.89 113.70 116.39 1cpe s SER 103 Ca 0.41 1.39 -0.25 0.00 0.48 0.00 0.00 55.95 57.98 1cpe s SER 103 Cb -0.18 -2.16 -0.16 0.00 0.10 0.00 0.00 66.02 63.61 1cpe s SER 103 CO 0.22 -1.81 1.62 0.28 0.98 0.00 0.00 173.24 174.52 1cpe h SER 104 N -0.98 -0.15 -0.87 7.02 0.02 -1.93 -1.96 113.55 114.70 1cpe h SER 104 Ca -0.46 -0.07 0.10 0.00 -0.84 0.00 0.00 61.79 60.51 1cpe h SER 104 Cb 1.25 0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.76 1cpe h SER 104 CO 0.59 -0.02 0.52 1.23 -1.14 0.00 0.00 176.83 178.00 1cpe h GLY 105 N -0.27 1.37 1.18 -3.77 0.00 -1.79 -0.44 103.07 99.35 1cpe h GLY 105 Ca -0.02 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 1cpe h GLY 105 CO 0.03 0.15 0.30 -0.55 0.00 0.00 0.00 176.54 176.47 1cpe h ASP 106 N 0.86 0.95 -0.21 0.19 3.32 -1.75 -2.36 116.42 117.43 1cpe h ASP 106 Ca 0.42 -0.13 -0.18 0.00 0.02 0.00 0.00 57.03 57.16 1cpe h ASP 106 Cb 0.37 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1cpe h ASP 106 CO -0.24 0.84 -0.58 0.25 -1.72 0.00 0.00 179.24 177.78 1cpe h LEU 107 N 1.03 0.87 -0.51 1.55 5.85 -0.55 -0.57 115.31 122.98 1cpe h LEU 107 Ca 0.24 -0.58 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 1cpe h LEU 107 Cb 0.17 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1cpe h LEU 107 CO -0.02 1.30 0.03 -0.26 -0.34 0.00 0.00 178.44 179.15 1cpe h PHE 108 N 0.49 0.94 -0.28 1.25 0.04 -1.09 -2.14 116.94 116.15 1cpe h PHE 108 Ca -0.01 -0.15 -0.19 0.00 2.80 0.00 0.00 57.97 60.42 1cpe h PHE 108 Cb 1.20 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 39.10 1cpe h PHE 108 CO 0.09 0.87 -0.56 0.66 -0.60 0.00 0.00 178.31 178.77 1cpe h SER 109 N 0.74 0.96 -0.44 2.17 4.64 -1.45 -3.21 113.55 116.97 1cpe h SER 109 Ca 0.15 -0.52 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 1cpe h SER 109 Cb 0.47 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1cpe h SER 109 CO 0.02 1.32 0.20 0.25 -0.87 0.00 0.00 176.83 177.75 1cpe h LEU 110 N 0.66 0.64 -1.23 5.97 5.85 -0.97 -2.35 115.31 123.88 1cpe h LEU 110 Ca 0.01 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1cpe h LEU 110 Cb 1.17 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 1cpe h LEU 110 CO 0.12 0.58 0.31 1.23 -0.34 0.00 0.00 178.44 180.34 1cpe h GLY 111 N 0.84 0.90 0.93 3.75 0.00 -1.39 0.44 103.07 108.53 1cpe h GLY 111 Ca 0.17 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 1cpe h GLY 111 CO -0.02 0.39 -0.18 -1.33 0.00 0.00 0.00 176.54 175.40 1cpe h GLY 112 N 0.92 0.70 1.01 4.60 0.00 -1.46 0.19 103.07 109.03 1cpe h GLY 112 Ca 0.21 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1cpe h GLY 112 CO -0.03 0.59 0.31 -2.08 0.00 0.00 0.00 176.54 175.33 1cpe h VAL 113 N 0.39 1.23 -0.44 4.60 2.07 -1.08 -0.02 116.25 123.02 1cpe h VAL 113 Ca 0.06 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.85 1cpe h VAL 113 Cb 0.72 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1cpe h VAL 113 CO 0.05 0.28 0.07 0.74 0.02 0.00 0.00 177.57 178.73 1cpe h THR 114 N 0.95 1.25 -0.00 2.57 2.02 0.05 -2.18 112.91 117.57 1cpe h THR 114 Ca 0.23 -0.90 0.01 0.00 0.77 0.00 0.00 66.41 66.53 1cpe h THR 114 Cb 0.15 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1cpe h THR 114 CO -0.03 0.31 -0.08 0.00 0.37 0.00 0.00 175.52 176.10 1cpe h ALA 115 N 0.94 -0.08 -0.22 6.16 0.00 -0.18 0.21 119.26 126.09 1cpe h ALA 115 Ca 0.13 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1cpe h ALA 115 Cb 0.38 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1cpe h ALA 115 CO 0.01 -0.57 -0.02 0.28 0.00 0.00 0.00 179.25 178.95 1cpe h VAL 116 N -0.13 0.82 -0.58 0.00 2.07 -0.90 -2.31 116.25 115.22 1cpe h VAL 116 Ca 0.03 -0.01 -0.09 0.00 0.82 0.00 0.00 66.70 67.44 1cpe h VAL 116 Cb 0.17 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1cpe h VAL 116 CO -0.08 0.01 0.00 1.56 0.02 0.00 0.00 177.57 179.08 1cpe h GLN 117 N 0.04 1.02 0.00 1.57 4.20 -1.23 0.05 115.11 120.77 1cpe h GLN 117 Ca 0.10 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1cpe h GLN 117 Cb 0.14 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1cpe h GLN 117 CO -0.20 1.01 0.00 0.93 -0.67 0.00 0.00 178.83 179.90 1cpe h GLU 118 N 0.92 0.00 -0.71 1.46 4.39 -0.76 -2.72 114.58 117.16 1cpe h GLU 118 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1cpe h GLU 118 Cb 0.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1cpe h GLU 118 CO 0.03 0.00 0.00 -1.33 -1.16 0.00 0.00 179.01 176.55 1cpe n MET 119 N -2.68 3.18 -1.03 2.33 2.81 -0.89 -4.87 117.12 115.98 1cpe n MET 119 Ca 0.01 -1.86 -0.01 0.00 -1.81 0.00 0.00 57.70 54.04 1cpe n MET 119 Cb 0.28 -1.88 -0.00 0.00 -0.71 0.00 0.00 33.22 30.90 1cpe n MET 119 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1cpe n GLN 120 N 0.43 -0.35 0.00 0.03 6.02 -1.02 -0.31 117.38 122.17 1cpe n GLN 120 Ca 0.16 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 1cpe n GLN 120 Cb 0.76 -3.60 0.00 0.00 1.02 0.00 0.00 30.24 28.43 1cpe n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cpe n GLY 121 N -2.31 -1.86 3.94 1.08 0.00 -0.03 -4.76 105.19 101.25 1cpe n GLY 121 Ca -0.01 -1.54 -0.26 0.00 0.00 0.00 0.00 46.02 44.22 1cpe n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cpe s PRO 122 N -2.74 2.05 0.10 1.61 0.04 -1.26 -4.71 135.00 130.08 1cpe s PRO 122 Ca 0.00 -0.36 -0.30 0.00 0.04 0.00 0.00 61.00 60.38 1cpe s PRO 122 Cb 0.00 -2.17 -0.06 0.00 0.04 0.00 0.00 34.50 32.31 1cpe s PRO 122 CO 0.00 -1.33 1.03 0.15 0.04 0.00 0.00 177.00 176.89 1cpe s LYS 123 N -5.27 4.61 -0.32 4.56 -0.14 -1.26 -4.35 119.74 117.57 1cpe s LYS 123 Ca 0.62 1.54 -0.02 0.00 -1.36 0.00 0.00 55.97 56.75 1cpe s LYS 123 Cb -0.10 -3.37 0.06 0.00 -1.68 0.00 0.00 37.83 32.74 1cpe s LYS 123 CO 0.45 0.07 0.03 0.42 -0.76 0.00 0.00 175.35 175.56 1cpe s ILE 124 N 0.30 3.02 0.36 2.17 -1.09 -1.26 -4.88 121.20 119.82 1cpe s ILE 124 Ca 0.50 -1.50 -0.28 0.00 -2.23 0.00 0.00 60.65 57.14 1cpe s ILE 124 Cb -0.25 -2.80 -0.11 0.00 -1.58 0.00 0.00 42.46 37.73 1cpe s ILE 124 CO 0.30 -0.20 1.41 -2.84 -1.23 0.00 0.00 174.94 172.39 1cpe s PRO 125 N 1.23 4.21 0.02 2.79 0.02 -1.26 -4.79 135.00 137.23 1cpe s PRO 125 Ca -0.03 2.42 0.03 0.00 0.02 0.00 0.00 61.00 63.44 1cpe s PRO 125 Cb -0.20 -3.01 -0.02 0.00 0.02 0.00 0.00 34.50 31.29 1cpe s PRO 125 CO -0.02 -0.39 -0.10 -0.46 -0.33 0.00 0.00 177.00 175.70 1cpe s TRP 126 N -1.11 0.90 -0.05 6.54 -0.00 0.46 -4.81 118.94 120.88 1cpe s TRP 126 Ca 0.51 -0.29 0.06 0.00 -0.00 0.00 0.00 56.10 56.38 1cpe s TRP 126 Cb -0.44 -0.55 -0.02 0.00 -0.00 0.00 0.00 33.47 32.46 1cpe s TRP 126 CO 0.59 -0.01 -0.22 1.03 -0.00 0.00 0.00 176.95 178.34 1cpe s ARG 127 N -0.83 2.44 0.66 5.86 0.52 -1.26 0.02 118.95 126.35 1cpe s ARG 127 Ca -0.00 -0.85 -0.00 0.00 -0.52 0.00 0.00 55.73 54.35 1cpe s ARG 127 Cb -0.06 -2.20 0.09 0.00 0.52 0.00 0.00 34.95 33.30 1cpe s ARG 127 CO 0.00 0.48 0.91 0.00 0.02 0.00 0.00 175.30 176.72 1cpe n GLY 129 N -2.66 0.91 3.77 0.00 0.00 -1.26 -4.76 105.19 101.18 1cpe n GLY 129 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1cpe n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cpe s ARG 130 N 0.00 3.48 -0.06 1.61 0.52 -1.26 0.73 118.95 123.97 1cpe s ARG 130 Ca 0.00 1.71 0.05 0.00 -0.52 0.00 0.00 55.73 56.97 1cpe s ARG 130 Cb 0.00 -2.16 -0.00 0.00 0.52 0.00 0.00 34.95 33.30 1cpe s ARG 130 CO 0.00 -0.77 -0.21 0.08 0.02 0.00 0.00 175.30 174.43 1cpe s VAL 131 N -1.66 1.73 0.22 3.52 1.01 -0.98 -4.69 120.40 119.56 1cpe s VAL 131 Ca 0.70 -0.87 -0.31 0.00 0.00 0.00 0.00 61.98 61.49 1cpe s VAL 131 Cb -0.27 -1.48 -0.11 0.00 0.00 0.00 0.00 36.38 34.52 1cpe s VAL 131 CO 0.31 0.49 1.61 -1.81 0.00 0.00 0.00 175.10 175.69 1cpe s ASP 132 N 0.04 6.47 0.33 3.32 1.11 -1.26 -3.67 116.67 123.02 1cpe s ASP 132 Ca -0.06 2.79 0.09 0.00 0.18 0.00 0.00 52.55 55.54 1cpe s ASP 132 Cb -0.13 -2.61 -0.05 0.00 1.07 0.00 0.00 42.92 41.20 1cpe s ASP 132 CO 0.04 -0.88 0.02 0.42 1.18 0.00 0.00 175.17 175.95 1cpe s THR 133 N 0.72 2.80 0.90 -1.27 -4.23 -0.62 -4.99 115.64 108.95 1cpe s THR 133 Ca 0.68 -1.93 -0.11 0.00 -1.18 0.00 0.00 61.69 59.15 1cpe s THR 133 Cb -0.46 -2.81 0.13 0.00 1.34 0.00 0.00 72.50 70.69 1cpe s THR 133 CO 0.37 -0.23 1.10 -2.84 -0.54 0.00 0.00 174.62 172.48 1cpe s PRO 134 N -3.73 1.22 0.38 3.99 0.02 -1.26 -4.83 135.00 130.80 1cpe s PRO 134 Ca 0.35 1.08 0.18 0.00 0.02 0.00 0.00 61.00 62.62 1cpe s PRO 134 Cb -0.02 -1.79 1.11 0.00 0.02 0.00 0.00 34.50 33.83 1cpe s PRO 134 CO 0.20 -2.34 1.72 1.49 -0.33 0.00 0.00 177.00 177.74 1cpe h GLU 135 N -1.63 0.36 0.00 5.54 4.81 -1.98 -0.94 114.58 120.74 1cpe h GLU 135 Ca -0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1cpe h GLU 135 Cb 1.27 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1cpe h GLU 135 CO 0.50 0.24 0.00 -0.40 -0.73 0.00 0.00 179.01 178.62 1cpe n ASP 136 N -4.76 0.00 -0.72 1.04 5.75 -1.26 -2.43 116.55 114.17 1cpe n ASP 136 Ca 0.29 0.41 0.11 0.00 -0.01 0.00 0.00 54.79 55.58 1cpe n ASP 136 Cb 0.95 -0.46 0.32 0.00 -1.03 0.00 0.00 41.12 40.90 1cpe n ASP 136 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1cpe n THR 137 N -1.46 0.30 -2.24 2.12 -2.24 -0.36 -4.87 114.28 105.53 1cpe n THR 137 Ca 0.05 -0.46 -0.43 0.00 -2.27 0.00 0.00 64.05 60.95 1cpe n THR 137 Cb 0.21 0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 68.94 1cpe n THR 137 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1cpe s THR 138 N -1.70 3.94 0.70 4.28 2.01 -1.02 -4.66 115.64 119.20 1cpe s THR 138 Ca 0.33 1.12 -0.16 0.00 0.31 0.00 0.00 61.69 63.29 1cpe s THR 138 Cb 0.18 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.91 1cpe s THR 138 CO 0.27 -0.19 1.20 -2.16 -0.69 0.00 0.00 174.62 173.05 1cpe s PRO 139 N 3.99 2.34 0.79 4.92 0.05 -1.26 -4.99 135.00 140.85 1cpe s PRO 139 Ca 0.64 1.74 -0.11 0.00 0.05 0.00 0.00 61.00 63.31 1cpe s PRO 139 Cb -0.25 -1.86 0.07 0.00 0.05 0.00 0.00 34.50 32.51 1cpe s PRO 139 CO 0.23 -1.67 1.09 -0.51 0.05 0.00 0.00 177.00 176.19 1cpe s ASP 140 N -2.00 4.50 0.76 6.66 1.01 -1.26 -4.68 116.67 121.66 1cpe s ASP 140 Ca 0.74 1.35 -0.12 0.00 0.71 0.00 0.00 52.55 55.23 1cpe s ASP 140 Cb -0.29 -2.09 0.05 0.00 1.01 0.00 0.00 42.92 41.60 1cpe s ASP 140 CO 0.43 -1.97 1.10 0.20 0.21 0.00 0.00 175.17 175.15 1cpe s ASN 141 N -3.86 4.50 0.00 0.27 0.01 -1.26 -4.24 114.94 110.36 1cpe s ASN 141 Ca 0.61 1.91 0.00 0.00 -0.71 0.00 0.00 52.86 54.67 1cpe s ASN 141 Cb -0.15 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.98 1cpe s ASN 141 CO 0.54 -2.04 0.00 0.61 -1.51 0.00 0.00 177.10 174.71 1cpe n GLY 142 N -0.88 0.83 0.00 0.66 0.00 -1.26 -4.99 105.19 99.56 1cpe n GLY 142 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1cpe n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cpe n ARG 143 N -1.41 0.02 -3.32 1.61 1.74 -1.26 -4.90 116.66 109.14 1cpe n ARG 143 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 1cpe n ARG 143 Cb 0.00 -1.51 -0.06 0.00 -1.02 0.00 0.00 32.46 29.88 1cpe n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1cpe s LEU 144 N -3.06 4.24 0.57 0.55 1.43 -1.26 -4.74 118.68 116.41 1cpe s LEU 144 Ca 0.10 1.08 -0.16 0.00 -1.03 0.00 0.00 54.13 54.12 1cpe s LEU 144 Cb 0.17 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.79 1cpe s LEU 144 CO 0.72 -0.01 1.04 -2.16 0.23 0.00 0.00 176.35 176.17 1cpe s PRO 145 N -2.40 3.51 0.34 1.29 0.04 -1.26 -5.07 135.00 131.44 1cpe s PRO 145 Ca 0.44 1.15 -0.10 0.00 0.04 0.00 0.00 61.00 62.53 1cpe s PRO 145 Cb -0.13 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 1cpe s PRO 145 CO 0.20 -0.65 0.69 -0.51 0.04 0.00 0.00 177.00 176.77 1cpe s ASP 146 N -2.81 6.59 0.02 6.66 1.01 -1.26 -5.02 116.67 121.86 1cpe s ASP 146 Ca 0.63 1.06 0.23 0.00 0.71 0.00 0.00 52.55 55.18 1cpe s ASP 146 Cb -0.14 -2.29 0.11 0.00 1.01 0.00 0.00 42.92 41.61 1cpe s ASP 146 CO 0.34 -0.26 1.11 0.00 0.21 0.00 0.00 175.17 176.57 1cpe n ALA 147 N -0.82 3.85 -0.90 5.23 0.00 -1.26 -4.46 120.51 122.14 1cpe n ALA 147 Ca 0.02 -0.45 -0.22 0.00 0.00 0.00 0.00 53.44 52.79 1cpe n ALA 147 Cb 0.53 -0.96 0.09 0.00 0.00 0.00 0.00 19.45 19.11 1cpe n ALA 147 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1cpe n ASP 148 N -1.67 5.66 -1.91 0.00 5.75 -1.26 -2.15 116.55 120.97 1cpe n ASP 148 Ca 0.04 -3.31 0.00 0.00 -0.01 0.00 0.00 54.79 51.51 1cpe n ASP 148 Cb 0.37 -0.91 0.00 0.00 -1.03 0.00 0.00 41.12 39.55 1cpe n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1cpe n LYS 149 N -0.42 1.95 -3.64 0.11 4.01 -1.26 -4.95 118.16 113.96 1cpe n LYS 149 Ca 0.45 0.00 -0.20 0.00 -0.51 0.00 0.00 58.31 58.04 1cpe n LYS 149 Cb 0.91 0.00 -0.04 0.00 -0.51 0.00 0.00 35.03 35.39 1cpe n LYS 149 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1cpe n ASP 150 N -1.07 2.83 -0.31 4.39 5.75 -1.26 -3.39 116.55 123.50 1cpe n ASP 150 Ca 0.00 -2.39 0.30 0.00 -0.01 0.00 0.00 54.79 52.69 1cpe n ASP 150 Cb 0.00 0.21 0.66 0.00 -1.03 0.00 0.00 41.12 40.95 1cpe n ASP 150 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cpe h ALA 151 N 1.13 2.75 -0.26 2.12 0.00 -1.89 -1.29 119.26 121.82 1cpe h ALA 151 Ca -0.26 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.46 1cpe h ALA 151 Cb 0.81 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1cpe h ALA 151 CO 0.44 -1.11 -0.57 0.78 0.00 0.00 0.00 179.25 178.79 1cpe h GLY 152 N 0.15 0.90 0.94 0.00 0.00 -1.96 -1.69 103.07 101.40 1cpe h GLY 152 Ca 0.56 -1.06 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1cpe h GLY 152 CO -0.12 0.95 -0.22 -1.82 0.00 0.00 0.00 176.54 175.33 1cpe h TYR 153 N 0.62 -0.57 -0.79 5.60 5.03 -1.64 -1.52 116.97 123.70 1cpe h TYR 153 Ca 0.01 -0.01 0.16 0.00 2.58 0.00 0.00 58.73 61.46 1cpe h TYR 153 Cb 1.17 0.19 -0.10 0.00 1.55 0.00 0.00 36.73 39.53 1cpe h TYR 153 CO 0.07 -0.32 0.31 0.28 -1.32 0.00 0.00 178.16 177.18 1cpe h VAL 154 N -0.68 0.61 0.08 1.81 2.07 -1.42 1.07 116.25 119.79 1cpe h VAL 154 Ca -0.06 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1cpe h VAL 154 Cb 0.51 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1cpe h VAL 154 CO 0.10 0.08 -0.04 -0.09 0.02 0.00 0.00 177.57 177.64 1cpe h ARG 155 N 0.43 -0.11 -0.06 1.57 2.43 -1.21 -0.98 114.38 116.45 1cpe h ARG 155 Ca 0.44 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.62 1cpe h ARG 155 Cb 0.72 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1cpe h ARG 155 CO -0.44 0.10 0.02 1.15 -1.51 0.00 0.00 179.97 179.29 1cpe h THR 156 N -0.30 1.17 0.17 0.20 2.02 -0.57 -2.12 112.91 113.49 1cpe h THR 156 Ca -0.01 -0.51 0.01 0.00 0.77 0.00 0.00 66.41 66.67 1cpe h THR 156 Cb 0.26 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1cpe h THR 156 CO 0.02 0.14 -0.29 0.15 0.37 0.00 0.00 175.52 175.91 1cpe h PHE 157 N -0.09 -0.77 -0.11 3.16 3.57 0.12 -2.63 116.94 120.18 1cpe h PHE 157 Ca 0.02 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.57 1cpe h PHE 157 Cb 0.21 0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 1cpe h PHE 157 CO -0.00 -0.40 0.09 0.74 -2.23 0.00 0.00 178.31 176.50 1cpe h PHE 158 N -0.54 0.00 0.00 0.41 0.04 -1.16 -1.81 116.94 113.88 1cpe h PHE 158 Ca 0.02 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 1cpe h PHE 158 Cb 0.54 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.69 1cpe h PHE 158 CO -0.23 0.00 -0.01 1.96 -0.60 0.00 0.00 178.31 179.42 1cpe h GLN 159 N 0.00 0.00 0.00 1.51 1.08 -0.98 0.40 115.11 117.12 1cpe h GLN 159 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1cpe h GLN 159 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1cpe h GLN 159 CO -0.00 0.01 0.00 -0.09 -0.95 0.00 0.00 178.83 177.80 1cpe h ARG 160 N 0.00 0.00 -0.41 1.46 2.43 -1.39 0.88 114.38 117.35 1cpe h ARG 160 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1cpe h ARG 160 Cb 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1cpe h ARG 160 CO 0.00 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.74 1cpe n LEU 161 N -2.93 3.37 -1.77 3.80 4.77 0.10 -2.20 117.00 122.13 1cpe n LEU 161 Ca -0.02 -2.20 -0.16 0.00 -0.03 0.00 0.00 56.01 53.60 1cpe n LEU 161 Cb 0.11 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.84 1cpe n LEU 161 CO 0.20 0.76 -0.20 0.59 -1.33 0.00 0.00 177.39 177.40 1cpe n ASN 162 N 0.54 -4.89 -4.63 -1.43 3.02 0.30 -4.99 115.26 103.19 1cpe n ASN 162 Ca 0.16 0.05 -0.35 0.00 -0.03 0.00 0.00 54.58 54.42 1cpe n ASN 162 Cb 0.57 -3.97 -0.10 0.00 -0.61 0.00 0.00 39.78 35.66 1cpe n ASN 162 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1cpe s MET 163 N -4.58 3.24 0.51 3.52 -1.94 -1.00 -5.02 119.30 114.02 1cpe s MET 163 Ca 0.00 -0.43 -0.00 0.00 -1.71 0.00 0.00 55.69 53.54 1cpe s MET 163 Cb 0.00 -2.86 0.10 0.00 2.01 0.00 0.00 34.83 34.08 1cpe s MET 163 CO 0.00 0.55 0.69 0.27 -0.01 0.00 0.00 175.02 176.52 1cpe n ASN 164 N 2.61 0.91 -0.11 3.03 0.23 -1.26 -4.15 115.26 116.52 1cpe n ASN 164 Ca -0.18 -1.77 -0.05 0.00 -0.53 0.00 0.00 54.58 52.05 1cpe n ASN 164 Cb 0.53 -0.45 0.02 0.00 -2.08 0.00 0.00 39.78 37.80 1cpe n ASN 164 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1cpe h ASP 165 N -0.43 -0.29 -0.68 0.53 3.32 -1.99 -1.41 116.42 115.47 1cpe h ASP 165 Ca -0.23 0.11 0.04 0.00 0.02 0.00 0.00 57.03 56.97 1cpe h ASP 165 Cb 0.84 0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.55 1cpe h ASP 165 CO 0.24 -0.10 0.41 -0.09 -1.72 0.00 0.00 179.24 177.98 1cpe h ARG 166 N 0.03 0.76 -0.57 3.56 2.43 -1.96 -2.18 114.38 116.45 1cpe h ARG 166 Ca 0.19 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1cpe h ARG 166 Cb 0.28 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1cpe h ARG 166 CO -0.37 0.50 0.12 0.93 -1.51 0.00 0.00 179.97 179.64 1cpe h GLU 167 N 0.78 0.93 -0.42 0.20 5.08 -1.75 -1.62 114.58 117.79 1cpe h GLU 167 Ca 0.28 -0.24 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1cpe h GLU 167 Cb 0.08 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1cpe h GLU 167 CO -0.13 0.88 0.22 0.28 -1.00 0.00 0.00 179.01 179.26 1cpe h VAL 168 N 0.83 1.00 -0.21 3.13 2.07 -1.01 0.21 116.25 122.28 1cpe h VAL 168 Ca 0.18 -0.16 -0.16 0.00 0.82 0.00 0.00 66.70 67.38 1cpe h VAL 168 Cb 0.38 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1cpe h VAL 168 CO 0.01 0.08 -0.52 0.58 0.02 0.00 0.00 177.57 177.74 1cpe h VAL 169 N 0.45 1.31 -0.26 2.57 2.07 -1.34 -1.19 116.25 119.86 1cpe h VAL 169 Ca 0.17 -1.75 -0.05 0.00 0.82 0.00 0.00 66.70 65.89 1cpe h VAL 169 Cb 0.05 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1cpe h VAL 169 CO -0.10 0.55 -0.05 0.00 0.02 0.00 0.00 177.57 177.99 1cpe h ALA 170 N 0.96 0.36 -0.85 1.67 0.00 -0.81 -3.03 119.26 117.57 1cpe h ALA 170 Ca 0.02 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.69 1cpe h ALA 170 Cb 1.06 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1cpe h ALA 170 CO 0.10 0.15 0.56 -0.07 0.00 0.00 0.00 179.25 179.99 1cpe h LEU 171 N 0.25 0.92 -2.31 0.00 3.38 -0.48 -2.31 115.31 114.76 1cpe h LEU 171 Ca 0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1cpe h LEU 171 Cb 0.51 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1cpe h LEU 171 CO 0.02 0.65 -0.00 -0.03 0.09 0.00 0.00 178.44 179.16 1cpe h MET 172 N 1.08 0.00 0.00 1.13 4.05 -1.09 -2.59 114.93 117.51 1cpe h MET 172 Ca 0.33 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.75 1cpe h MET 172 Cb -0.02 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.78 1cpe h MET 172 CO -0.09 0.00 0.00 0.41 0.23 0.00 0.00 176.91 177.46 1cpe n GLY 173 N -0.59 -0.61 0.11 1.39 0.00 -0.87 -0.29 105.19 104.33 1cpe n GLY 173 Ca -0.01 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.11 1cpe n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cpe n ALA 174 N -1.48 1.74 0.40 4.61 0.00 -0.98 -2.22 120.51 122.58 1cpe n ALA 174 Ca 0.01 0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.55 1cpe n ALA 174 Cb 0.04 -1.38 0.23 0.00 0.00 0.00 0.00 19.45 18.34 1cpe n ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1cpe n HIS 175 N -2.13 0.00 0.22 0.00 8.25 0.61 -1.32 115.22 120.85 1cpe n HIS 175 Ca 0.03 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.57 1cpe n HIS 175 Cb 0.24 -0.40 0.48 0.00 1.12 0.00 0.00 29.99 31.43 1cpe n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1cpe h ALA 176 N 2.40 1.15 -2.26 -1.41 0.00 -1.67 -3.43 119.26 114.04 1cpe h ALA 176 Ca 0.00 -0.24 -0.48 0.00 0.00 0.00 0.00 54.91 54.18 1cpe h ALA 176 Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1cpe h ALA 176 CO 0.00 0.33 0.20 -0.51 0.00 0.00 0.00 179.25 179.28 1cpe s LEU 177 N -7.24 3.82 0.00 0.00 1.43 -0.43 -4.41 118.68 111.84 1cpe s LEU 177 Ca -0.01 1.33 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 1cpe s LEU 177 Cb 0.12 -4.21 0.00 0.00 0.03 0.00 0.00 46.19 42.13 1cpe s LEU 177 CO 0.65 -0.42 0.00 0.61 0.23 0.00 0.00 176.35 177.43 1cpe n GLY 178 N -1.16 3.04 3.83 -3.19 0.00 0.13 -4.94 105.19 102.89 1cpe n GLY 178 Ca 0.04 -0.34 0.01 0.00 0.00 0.00 0.00 46.02 45.73 1cpe n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cpe s LYS 179 N 0.00 0.56 0.12 1.61 -2.85 -1.26 -4.50 119.74 113.42 1cpe s LYS 179 Ca 0.00 -0.35 -0.02 0.00 -1.00 0.00 0.00 55.97 54.60 1cpe s LYS 179 Cb 0.00 0.17 -0.05 0.00 -2.06 0.00 0.00 37.83 35.89 1cpe s LYS 179 CO 0.00 -0.26 0.31 0.95 0.10 0.00 0.00 175.35 176.45 1cpe s THR 180 N -2.25 5.26 -0.11 3.79 -4.23 -0.34 -4.95 115.64 112.80 1cpe s THR 180 Ca 0.22 -0.19 -0.00 0.00 -1.18 0.00 0.00 61.69 60.54 1cpe s THR 180 Cb 0.01 -3.64 0.02 0.00 1.34 0.00 0.00 72.50 70.24 1cpe s THR 180 CO -0.01 0.05 -0.09 -1.00 -0.54 0.00 0.00 174.62 173.03 1cpe s HIS 181 N -1.63 1.59 0.24 3.99 0.09 -0.77 -2.14 115.29 116.66 1cpe s HIS 181 Ca 0.38 -0.79 -0.12 0.00 -0.00 0.00 0.00 55.06 54.53 1cpe s HIS 181 Cb -0.12 -1.27 0.32 0.00 -0.00 0.00 0.00 32.58 31.51 1cpe s HIS 181 CO 0.26 -0.51 1.58 1.25 -0.00 0.00 0.00 174.74 177.32 1cpe h LEU 182 N 8.04 -0.93 -2.12 0.89 5.85 -0.54 0.29 115.31 126.80 1cpe h LEU 182 Ca -0.31 0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1cpe h LEU 182 Cb 1.14 0.57 -0.00 0.00 0.37 0.00 0.00 40.66 42.73 1cpe h LEU 182 CO 0.43 -0.29 -0.02 0.11 -0.34 0.00 0.00 178.44 178.33 1cpe h LYS 183 N -0.02 0.00 0.00 1.25 1.79 -1.97 -0.64 116.57 116.98 1cpe h LYS 183 Ca 0.38 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.85 1cpe h LYS 183 Cb 0.61 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.26 1cpe h LYS 183 CO -0.87 0.02 -0.27 -0.91 -1.08 0.00 0.00 179.45 176.35 1cpe h ASN 184 N 0.00 0.00 -0.03 0.86 2.35 -0.77 -3.43 115.58 114.55 1cpe h ASN 184 Ca -0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1cpe h ASN 184 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1cpe h ASN 184 CO 0.00 0.64 0.00 -1.54 -1.65 0.00 0.00 177.43 174.89 1cpe n SER 185 N -4.69 1.64 0.00 5.81 3.41 -0.87 -4.79 113.62 114.13 1cpe n SER 185 Ca -0.04 -1.51 0.00 0.00 -0.26 0.00 0.00 58.87 57.06 1cpe n SER 185 Cb 0.14 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1cpe n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cpe n GLY 186 N -0.08 0.40 3.08 5.00 0.00 -0.25 -5.03 105.19 108.32 1cpe n GLY 186 Ca 0.02 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 1cpe n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cpe s TYR 187 N -2.00 0.78 -0.05 1.61 1.51 -1.26 -4.69 117.35 113.25 1cpe s TYR 187 Ca 0.00 -0.47 -0.03 0.00 -1.01 0.00 0.00 57.07 55.56 1cpe s TYR 187 Cb 0.00 -0.46 0.03 0.00 -0.11 0.00 0.00 41.96 41.42 1cpe s TYR 187 CO 0.00 -0.05 0.13 -2.00 -1.11 0.00 0.00 175.55 172.52 1cpe s GLU 188 N -1.52 0.10 0.00 -0.62 2.56 -1.26 0.27 118.70 118.23 1cpe s GLU 188 Ca -0.08 0.28 0.00 0.00 0.00 0.00 0.00 54.97 55.18 1cpe s GLU 188 Cb -0.10 -0.09 0.00 0.00 2.00 0.00 0.00 34.13 35.94 1cpe s GLU 188 CO 0.01 -0.11 0.00 0.41 -0.56 0.00 0.00 175.26 175.01 1cpe n GLY 189 N 3.76 3.35 3.97 -1.50 0.00 -0.91 -4.87 105.19 109.00 1cpe n GLY 189 Ca -0.21 -1.92 -0.21 0.00 0.00 0.00 0.00 46.02 43.68 1cpe n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cpe s PRO 190 N -3.12 2.65 -0.04 1.61 0.04 -1.26 -1.20 135.00 133.68 1cpe s PRO 190 Ca 0.00 -0.79 0.11 0.00 0.04 0.00 0.00 61.00 60.36 1cpe s PRO 190 Cb 0.00 -2.53 0.32 0.00 0.04 0.00 0.00 34.50 32.33 1cpe s PRO 190 CO 0.00 -0.60 1.26 0.41 0.04 0.00 0.00 177.00 178.11 1cpe n GLY 191 N -2.25 3.08 2.31 0.56 0.00 -1.26 -0.68 105.19 106.95 1cpe n GLY 191 Ca 0.07 -0.48 0.03 0.00 0.00 0.00 0.00 46.02 45.64 1cpe n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cpe n GLY 192 N 0.17 0.21 0.13 -0.02 0.00 -1.26 -4.74 105.19 99.68 1cpe n GLY 192 Ca 0.12 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 1cpe n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cpe n ALA 193 N -1.86 0.94 -2.85 4.61 0.00 -1.26 -4.57 120.51 115.52 1cpe n ALA 193 Ca -0.06 -0.61 -0.44 0.00 0.00 0.00 0.00 53.44 52.33 1cpe n ALA 193 Cb 0.33 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1cpe n ALA 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cpe n ALA 194 N -2.97 4.05 0.21 0.00 0.00 -1.26 -4.83 120.51 115.71 1cpe n ALA 194 Ca -0.31 -4.23 0.05 0.00 0.00 0.00 0.00 53.44 48.95 1cpe n ALA 194 Cb 1.05 -3.08 0.22 0.00 0.00 0.00 0.00 19.45 17.64 1cpe n ALA 194 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1cpe n ASN 195 N 5.58 3.15 -0.60 0.00 2.04 -1.26 -3.97 115.26 120.19 1cpe n ASN 195 Ca 0.38 -2.30 0.00 0.00 -0.44 0.00 0.00 54.58 52.22 1cpe n ASN 195 Cb 0.42 -0.47 -0.00 0.00 -2.53 0.00 0.00 39.78 37.20 1cpe n ASN 195 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1cpe n ASN 196 N 0.56 0.05 -3.97 0.53 0.23 -1.26 -0.69 115.26 110.70 1cpe n ASN 196 Ca 0.16 -1.73 -0.19 0.00 -0.53 0.00 0.00 54.58 52.29 1cpe n ASN 196 Cb 0.61 -0.13 -0.15 0.00 -2.08 0.00 0.00 39.78 38.02 1cpe n ASN 196 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1cpe s VAL 197 N 0.00 0.65 -0.37 3.53 0.11 -1.25 -4.80 120.40 118.27 1cpe s VAL 197 Ca 0.03 -0.29 -0.28 0.00 -2.93 0.00 0.00 61.98 58.51 1cpe s VAL 197 Cb 0.03 -0.59 0.02 0.00 -1.53 0.00 0.00 36.38 34.31 1cpe s VAL 197 CO -0.01 0.21 1.02 0.12 -3.33 0.00 0.00 175.10 173.11 1cpe s PHE 198 N 0.23 3.06 0.25 1.54 2.19 0.57 -4.87 117.98 120.95 1cpe s PHE 198 Ca -0.03 0.94 -0.01 0.00 0.33 0.00 0.00 56.93 58.16 1cpe s PHE 198 Cb -0.08 -3.81 0.00 0.00 -1.31 0.00 0.00 43.02 37.83 1cpe s PHE 198 CO 0.00 -0.88 0.34 0.25 1.83 0.00 0.00 175.22 176.76 1cpe n THR 199 N 6.09 0.00 1.06 0.12 -2.24 -1.26 -4.58 114.28 113.46 1cpe n THR 199 Ca 0.10 -1.30 0.06 0.00 -2.27 0.00 0.00 64.05 60.64 1cpe n THR 199 Cb 0.48 0.79 0.19 0.00 -2.10 0.00 0.00 70.33 69.68 1cpe n THR 199 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1cpe n ASN 200 N -1.79 1.64 -0.33 3.42 2.04 -1.26 -4.51 115.26 114.47 1cpe n ASN 200 Ca 0.01 -1.94 0.27 0.00 -0.44 0.00 0.00 54.58 52.47 1cpe n ASN 200 Cb 0.42 -0.19 0.51 0.00 -2.53 0.00 0.00 39.78 37.99 1cpe n ASN 200 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 1cpe h GLU 201 N 1.86 0.21 -0.80 -3.83 4.81 -1.94 -1.42 114.58 113.47 1cpe h GLU 201 Ca 0.00 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.34 1cpe h GLU 201 Cb 0.42 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.67 1cpe h GLU 201 CO 0.00 0.14 0.41 0.35 -0.73 0.00 0.00 179.01 179.18 1cpe h PHE 202 N 0.22 0.72 -0.25 0.92 3.57 -1.85 -0.11 116.94 120.15 1cpe h PHE 202 Ca 0.77 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 62.19 1cpe h PHE 202 Cb 1.86 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 40.40 1cpe h PHE 202 CO -0.01 0.21 -0.30 1.88 -2.23 0.00 0.00 178.31 177.85 1cpe h TYR 203 N 0.62 0.79 -0.05 0.41 0.05 -1.63 -1.89 116.97 115.29 1cpe h TYR 203 Ca 0.42 -0.25 -0.00 0.00 0.05 0.00 0.00 58.73 58.95 1cpe h TYR 203 Cb 0.53 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 38.11 1cpe h TYR 203 CO -0.10 0.99 0.02 -0.07 -1.05 0.00 0.00 178.16 177.95 1cpe h LEU 204 N 0.36 0.06 -0.69 3.88 3.38 -1.26 -1.46 115.31 119.60 1cpe h LEU 204 Ca 0.03 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1cpe h LEU 204 Cb 0.88 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 1cpe h LEU 204 CO 0.07 0.20 0.42 0.78 0.09 0.00 0.00 178.44 180.01 1cpe h ASN 205 N -0.08 0.68 -0.34 -0.43 4.21 -1.03 0.33 115.58 118.92 1cpe h ASN 205 Ca 0.02 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.53 1cpe h ASN 205 Cb 0.16 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.20 1cpe h ASN 205 CO -0.00 0.47 0.21 0.25 -1.29 0.00 0.00 177.43 177.06 1cpe h LEU 206 N 0.82 0.41 -0.11 1.61 5.85 -1.24 -2.06 115.31 120.59 1cpe h LEU 206 Ca 0.28 -0.05 -0.22 0.00 0.84 0.00 0.00 57.88 58.73 1cpe h LEU 206 Cb 0.05 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1cpe h LEU 206 CO -0.12 0.34 -1.00 -0.07 -0.34 0.00 0.00 178.44 177.25 1cpe h LEU 207 N 0.44 0.21 0.00 2.25 3.38 -0.54 -3.39 115.31 117.66 1cpe h LEU 207 Ca 0.12 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1cpe h LEU 207 Cb 0.01 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1cpe h LEU 207 CO -0.02 1.08 -1.48 0.59 0.09 0.00 0.00 178.44 178.69 1cpe n ASN 208 N -3.53 0.41 -4.92 -0.43 5.03 0.11 -4.98 115.26 106.94 1cpe n ASN 208 Ca -0.04 -0.13 -0.27 0.00 0.87 0.00 0.00 54.58 55.02 1cpe n ASN 208 Cb 0.90 1.34 0.03 0.00 -1.02 0.00 0.00 39.78 41.03 1cpe n ASN 208 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1cpe s GLU 209 N -3.35 2.89 -0.53 3.52 0.41 -0.78 -5.01 118.70 115.84 1cpe s GLU 209 Ca -0.02 -0.02 -0.12 0.00 -0.41 0.00 0.00 54.97 54.40 1cpe s GLU 209 Cb 0.14 -2.27 0.13 0.00 -1.78 0.00 0.00 34.13 30.35 1cpe s GLU 209 CO 0.86 -0.72 0.44 0.34 -0.49 0.00 0.00 175.26 175.70 1cpe s ASP 210 N -4.31 5.97 0.16 -0.19 2.15 -1.26 -4.97 116.67 114.21 1cpe s ASP 210 Ca 0.54 -1.96 -0.24 0.00 0.43 0.00 0.00 52.55 51.32 1cpe s ASP 210 Cb -0.11 -2.10 -0.08 0.00 -0.30 0.00 0.00 42.92 40.33 1cpe s ASP 210 CO 0.45 -0.74 0.75 0.26 -0.17 0.00 0.00 175.17 175.72 1cpe s TRP 211 N 1.31 3.87 -0.16 -5.34 0.52 -1.26 -4.15 118.94 113.73 1cpe s TRP 211 Ca 0.06 1.57 0.01 0.00 0.02 0.00 0.00 56.10 57.76 1cpe s TRP 211 Cb -0.26 -2.72 0.02 0.00 -1.15 0.00 0.00 33.47 29.35 1cpe s TRP 211 CO 0.00 0.51 -0.17 0.15 0.02 0.00 0.00 176.95 177.46 1cpe s LYS 212 N -1.22 2.61 0.15 4.98 3.01 0.41 -4.93 119.74 124.75 1cpe s LYS 212 Ca 0.36 -0.68 -0.30 0.00 -1.01 0.00 0.00 55.97 54.33 1cpe s LYS 212 Cb -0.22 -2.30 -0.07 0.00 -1.01 0.00 0.00 37.83 34.23 1cpe s LYS 212 CO 0.25 -0.20 1.21 -1.17 0.51 0.00 0.00 175.35 175.94 1cpe s LEU 213 N 1.34 4.42 0.13 3.17 2.96 -1.26 -1.32 118.68 128.11 1cpe s LEU 213 Ca 0.04 2.17 -0.12 0.00 -0.22 0.00 0.00 54.13 56.00 1cpe s LEU 213 Cb -0.13 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 42.97 1cpe s LEU 213 CO -0.11 -0.41 0.32 -1.61 -1.32 0.00 0.00 176.35 173.22 1cpe s GLU 214 N 0.21 1.05 -0.05 1.98 2.02 0.39 -4.95 118.70 119.35 1cpe s GLU 214 Ca 0.55 -0.91 -0.10 0.00 0.02 0.00 0.00 54.97 54.53 1cpe s GLU 214 Cb -0.32 0.41 -0.05 0.00 0.10 0.00 0.00 34.13 34.28 1cpe s GLU 214 CO 0.34 -0.39 0.26 0.15 0.02 0.00 0.00 175.26 175.64 1cpe s LYS 215 N -3.87 3.64 0.32 1.61 1.02 -1.26 -0.14 119.74 121.07 1cpe s LYS 215 Ca 0.07 0.08 0.05 0.00 0.02 0.00 0.00 55.97 56.19 1cpe s LYS 215 Cb 0.03 -3.18 0.05 0.00 -0.52 0.00 0.00 37.83 34.21 1cpe s LYS 215 CO -0.08 0.72 0.40 0.27 -0.92 0.00 0.00 175.35 175.75 1cpe n ASN 216 N 1.77 1.35 0.20 2.83 0.23 0.17 -4.89 115.26 116.92 1cpe n ASN 216 Ca -0.16 -1.90 0.13 0.00 -0.53 0.00 0.00 54.58 52.12 1cpe n ASN 216 Cb 0.54 -0.19 0.71 0.00 -2.08 0.00 0.00 39.78 38.75 1cpe n ASN 216 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1cpe h ASP 217 N 0.12 0.00 -0.56 0.53 3.32 -1.93 0.22 116.42 118.13 1cpe h ASP 217 Ca -0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1cpe h ASP 217 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1cpe h ASP 217 CO 0.24 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.76 1cpe n ALA 218 N -1.84 2.38 -2.79 3.45 0.00 -1.26 -4.93 120.51 115.51 1cpe n ALA 218 Ca -0.02 -1.16 -0.14 0.00 0.00 0.00 0.00 53.44 52.13 1cpe n ALA 218 Cb 0.05 -0.86 0.03 0.00 0.00 0.00 0.00 19.45 18.67 1cpe n ALA 218 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1cpe n ASN 219 N 1.49 -4.35 -4.35 0.00 4.05 0.79 -5.03 115.26 107.87 1cpe n ASN 219 Ca 0.21 -0.20 -0.29 0.00 0.45 0.00 0.00 54.58 54.76 1cpe n ASN 219 Cb 0.60 -3.17 -0.14 0.00 1.23 0.00 0.00 39.78 38.30 1cpe n ASN 219 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1cpe s ASN 220 N -2.90 3.13 0.21 1.20 0.01 -1.25 -4.84 114.94 110.49 1cpe s ASN 220 Ca 0.21 -0.66 -0.19 0.00 -0.71 0.00 0.00 52.86 51.51 1cpe s ASN 220 Cb -0.09 -0.24 -0.08 0.00 0.41 0.00 0.00 41.25 41.25 1cpe s ASN 220 CO 0.26 0.20 0.70 -1.61 -1.51 0.00 0.00 177.10 175.15 1cpe s GLU 221 N -1.64 4.23 0.05 -0.60 0.41 -1.26 0.46 118.70 120.35 1cpe s GLU 221 Ca 0.12 0.84 -0.20 0.00 -0.41 0.00 0.00 54.97 55.32 1cpe s GLU 221 Cb -0.10 -2.91 0.04 0.00 -1.78 0.00 0.00 34.13 29.38 1cpe s GLU 221 CO 0.04 0.42 0.46 1.14 -0.49 0.00 0.00 175.26 176.83 1cpe s GLN 222 N -1.91 0.98 -0.34 1.61 -2.07 0.81 -4.61 119.66 114.13 1cpe s GLN 222 Ca 0.42 -0.32 -0.18 0.00 -1.82 0.00 0.00 55.36 53.46 1cpe s GLN 222 Cb -0.17 0.44 -0.01 0.00 -1.09 0.00 0.00 33.01 32.18 1cpe s GLN 222 CO 0.21 -0.35 0.49 -1.58 -1.32 0.00 0.00 175.29 172.74 1cpe s TRP 223 N -2.52 3.20 -0.06 9.60 0.52 -0.95 -0.46 118.94 128.27 1cpe s TRP 223 Ca -0.05 0.21 0.02 0.00 0.02 0.00 0.00 56.10 56.31 1cpe s TRP 223 Cb -0.01 -2.85 -0.03 0.00 -1.15 0.00 0.00 33.47 29.43 1cpe s TRP 223 CO -0.03 -0.48 -0.10 -0.51 0.02 0.00 0.00 176.95 175.85 1cpe s ASP 224 N 1.73 4.35 0.26 2.95 1.01 -0.44 -0.30 116.67 126.23 1cpe s ASP 224 Ca 0.18 -0.11 0.10 0.00 0.71 0.00 0.00 52.55 53.43 1cpe s ASP 224 Cb -0.16 -1.01 -0.04 0.00 1.01 0.00 0.00 42.92 42.72 1cpe s ASP 224 CO 0.12 0.35 -0.03 -0.94 0.21 0.00 0.00 175.17 174.89 1cpe s SER 225 N -0.80 4.43 0.33 0.27 1.04 -0.09 -0.45 113.70 118.44 1cpe s SER 225 Ca 0.12 -0.69 0.02 0.00 0.48 0.00 0.00 55.95 55.89 1cpe s SER 225 Cb -0.11 -0.78 0.58 0.00 0.10 0.00 0.00 66.02 65.81 1cpe s SER 225 CO 0.01 0.01 1.94 0.07 0.98 0.00 0.00 173.24 176.25 1cpe h LYS 226 N 1.97 0.76 0.00 4.02 2.10 -1.88 -0.75 116.57 122.79 1cpe h LYS 226 Ca -0.44 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.12 1cpe h LYS 226 Cb 1.25 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1cpe h LYS 226 CO 0.60 0.60 0.00 0.77 -2.00 0.00 0.00 179.45 179.42 1cpe h SER 227 N 0.76 0.00 0.00 7.07 0.02 -1.95 -3.45 113.55 116.00 1cpe h SER 227 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1cpe h SER 227 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1cpe h SER 227 CO -0.02 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.28 1cpe n GLY 228 N -1.07 0.93 3.98 -3.77 0.00 -0.29 -5.10 105.19 99.86 1cpe n GLY 228 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 1cpe n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cpe s TYR 229 N -2.00 2.94 0.16 1.61 2.02 -1.25 -4.64 117.35 116.19 1cpe s TYR 229 Ca 0.00 -0.03 -0.01 0.00 -0.37 0.00 0.00 57.07 56.66 1cpe s TYR 229 Cb 0.00 -2.56 -0.04 0.00 -0.40 0.00 0.00 41.96 38.96 1cpe s TYR 229 CO 0.00 -0.65 0.07 0.00 -1.57 0.00 0.00 175.55 173.40 1cpe s MET 230 N -4.62 1.03 -0.04 -0.62 0.23 0.15 -0.91 119.30 114.51 1cpe s MET 230 Ca 0.54 -1.51 -0.07 0.00 -1.03 0.00 0.00 55.69 53.63 1cpe s MET 230 Cb -0.10 0.19 0.01 0.00 -1.53 0.00 0.00 34.83 33.40 1cpe s MET 230 CO 0.37 -0.28 0.17 -1.64 -2.03 0.00 0.00 175.02 171.61 1cpe s MET 231 N -4.06 0.33 0.57 3.16 -1.94 0.59 -4.15 119.30 113.81 1cpe s MET 231 Ca 0.28 -0.01 -0.09 0.00 -1.71 0.00 0.00 55.69 54.16 1cpe s MET 231 Cb 0.07 0.15 -0.03 0.00 2.01 0.00 0.00 34.83 37.03 1cpe s MET 231 CO 0.05 -0.07 0.94 -0.51 -0.01 0.00 0.00 175.02 175.42 1cpe s LEU 232 N -0.52 3.36 0.23 -0.03 1.43 -1.26 -2.23 118.68 119.65 1cpe s LEU 232 Ca -0.06 1.21 -0.06 0.00 -1.03 0.00 0.00 54.13 54.18 1cpe s LEU 232 Cb -0.04 -4.21 0.35 0.00 0.03 0.00 0.00 46.19 42.33 1cpe s LEU 232 CO 0.01 -0.79 1.78 -0.65 0.23 0.00 0.00 176.35 176.93 1cpe h PRO 233 N -0.14 0.62 -0.45 1.29 0.11 -1.81 0.18 132.00 131.81 1cpe h PRO 233 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1cpe h PRO 233 Cb 1.20 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1cpe h PRO 233 CO 0.62 0.41 0.28 1.79 -0.21 0.00 0.00 178.00 180.89 1cpe h THR 234 N 0.64 1.12 -0.13 -1.15 1.35 -1.44 0.19 112.91 113.48 1cpe h THR 234 Ca 0.36 -0.24 -0.07 0.00 -0.55 0.00 0.00 66.41 65.91 1cpe h THR 234 Cb 0.38 0.48 -0.00 0.00 -1.73 0.00 0.00 68.15 67.28 1cpe h THR 234 CO -0.27 0.12 -0.18 0.44 -0.25 0.00 0.00 175.52 175.38 1cpe h ASP 235 N 0.61 0.38 -0.70 5.36 3.32 -1.08 -3.14 116.42 121.16 1cpe h ASP 235 Ca 0.16 -0.52 0.06 0.00 0.02 0.00 0.00 57.03 56.75 1cpe h ASP 235 Cb -0.05 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.34 1cpe h ASP 235 CO -0.03 0.82 0.40 0.22 -1.72 0.00 0.00 179.24 178.93 1cpe h TYR 236 N -0.06 0.73 -0.86 4.55 3.20 -0.40 -1.60 116.97 122.54 1cpe h TYR 236 Ca 0.01 0.03 0.25 0.00 3.14 0.00 0.00 58.73 62.16 1cpe h TYR 236 Cb 0.74 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.75 1cpe h TYR 236 CO 0.10 0.35 0.81 0.66 -1.64 0.00 0.00 178.16 178.44 1cpe h SER 237 N 0.73 0.00 0.27 -2.11 4.64 -0.59 0.12 113.55 116.62 1cpe h SER 237 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1cpe h SER 237 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1cpe h SER 237 CO -0.18 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.96 1cpe n LEU 238 N -3.71 0.36 -0.00 5.97 4.77 -0.60 -1.42 117.00 122.38 1cpe n LEU 238 Ca 0.18 0.63 0.07 0.00 -0.03 0.00 0.00 56.01 56.86 1cpe n LEU 238 Cb 1.10 -0.63 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 1cpe n LEU 238 CO 0.30 -0.63 -0.13 2.30 -1.33 0.00 0.00 177.39 177.90 1cpe n ILE 239 N -1.95 0.00 0.07 -0.08 -5.35 0.41 -2.11 119.36 110.36 1cpe n ILE 239 Ca 0.01 -0.19 -0.18 0.00 -0.27 0.00 0.00 62.75 62.12 1cpe n ILE 239 Cb 0.10 0.87 -0.14 0.00 -1.74 0.00 0.00 39.64 38.72 1cpe n ILE 239 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1cpe h GLN 240 N 0.00 0.29 -6.09 6.28 4.20 -1.24 -3.46 115.11 115.10 1cpe h GLN 240 Ca 0.00 -0.50 -0.57 0.00 0.06 0.00 0.00 58.65 57.64 1cpe h GLN 240 Cb 0.40 0.19 -0.05 0.00 0.30 0.00 0.00 27.48 28.31 1cpe h GLN 240 CO 0.00 1.17 0.40 0.34 -0.67 0.00 0.00 178.83 180.07 1cpe s ASP 241 N -7.08 7.08 0.39 1.46 -1.08 -0.88 -4.96 116.67 111.59 1cpe s ASP 241 Ca -0.10 1.32 0.10 0.00 -0.52 0.00 0.00 52.55 53.35 1cpe s ASP 241 Cb 0.06 -2.49 0.87 0.00 -1.46 0.00 0.00 42.92 39.91 1cpe s ASP 241 CO 0.86 -0.36 1.94 1.55 0.52 0.00 0.00 175.17 179.68 1cpe h PRO 242 N 7.14 0.59 0.11 4.34 0.13 -1.91 0.20 132.00 142.60 1cpe h PRO 242 Ca -0.32 -0.04 -0.25 0.00 -0.87 0.00 0.00 66.00 64.52 1cpe h PRO 242 Cb 1.15 -0.13 0.03 0.00 0.13 0.00 0.00 31.00 32.17 1cpe h PRO 242 CO 0.82 0.39 -1.04 0.87 -0.23 0.00 0.00 178.00 178.82 1cpe h LYS 243 N 0.61 0.51 -0.58 0.86 1.57 -1.94 -3.14 116.57 114.46 1cpe h LYS 243 Ca 0.34 -0.69 -0.10 0.00 -1.87 0.00 0.00 60.65 58.33 1cpe h LYS 243 Cb 0.51 0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1cpe h LYS 243 CO -0.12 1.30 -0.02 1.88 -0.57 0.00 0.00 179.45 181.92 1cpe h TYR 244 N 0.05 1.14 -0.98 -1.35 0.05 -1.67 -3.19 116.97 111.03 1cpe h TYR 244 Ca -0.16 -0.21 0.12 0.00 0.05 0.00 0.00 58.73 58.53 1cpe h TYR 244 Cb 1.75 -0.30 -0.08 0.00 1.01 0.00 0.00 36.73 39.12 1cpe h TYR 244 CO 0.14 1.02 0.62 1.25 -1.05 0.00 0.00 178.16 180.14 1cpe h LEU 245 N 0.94 0.89 -1.27 3.88 6.46 -0.42 -0.28 115.31 125.52 1cpe h LEU 245 Ca 0.16 0.04 -0.08 0.00 -0.12 0.00 0.00 57.88 57.89 1cpe h LEU 245 Cb 0.58 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 1cpe h LEU 245 CO 0.03 0.49 -0.36 0.77 -0.62 0.00 0.00 178.44 178.75 1cpe h SER 246 N 0.97 0.00 -0.09 1.25 4.64 -1.53 -0.78 113.55 118.01 1cpe h SER 246 Ca 0.48 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.60 1cpe h SER 246 Cb 0.48 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1cpe h SER 246 CO -0.24 0.36 -0.73 0.40 -0.87 0.00 0.00 176.83 175.76 1cpe h ILE 247 N 0.00 1.32 0.05 0.95 2.04 -1.16 -1.73 117.51 118.98 1cpe h ILE 247 Ca -0.00 -1.99 0.03 0.00 1.00 0.00 0.00 64.86 63.89 1cpe h ILE 247 Cb 0.66 2.20 -0.04 0.00 -0.74 0.00 0.00 36.82 38.90 1cpe h ILE 247 CO 0.05 0.61 -0.30 0.58 0.00 0.00 0.00 178.15 179.09 1cpe h VAL 248 N 0.31 0.34 -0.82 1.67 2.07 -0.94 0.33 116.25 119.21 1cpe h VAL 248 Ca -0.07 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.58 1cpe h VAL 248 Cb 1.38 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 1cpe h VAL 248 CO 0.15 0.00 0.53 0.11 0.02 0.00 0.00 177.57 178.38 1cpe h LYS 249 N -0.48 0.62 -0.57 1.57 1.57 -1.13 0.72 116.57 118.87 1cpe h LYS 249 Ca 0.05 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1cpe h LYS 249 Cb 0.54 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1cpe h LYS 249 CO -0.22 0.41 0.11 1.49 -0.57 0.00 0.00 179.45 180.67 1cpe h GLU 250 N 0.64 0.93 0.00 3.15 4.81 -0.03 -2.79 114.58 121.29 1cpe h GLU 250 Ca 0.40 -0.24 -0.08 0.00 -0.13 0.00 0.00 59.36 59.30 1cpe h GLU 250 Cb 0.64 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1cpe h GLU 250 CO -0.16 0.88 -0.40 1.88 -0.73 0.00 0.00 179.01 180.48 1cpe h TYR 251 N 0.83 0.00 -0.01 0.92 0.05 -0.08 -1.81 116.97 116.87 1cpe h TYR 251 Ca 0.17 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.86 1cpe h TYR 251 Cb 0.39 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 1cpe h TYR 251 CO 0.03 0.40 -0.46 0.00 -1.05 0.00 0.00 178.16 177.08 1cpe h ALA 252 N 1.60 1.22 0.00 3.88 0.00 -0.76 -3.18 119.26 122.03 1cpe h ALA 252 Ca -0.00 -0.42 -0.18 0.00 0.00 0.00 0.00 54.91 54.31 1cpe h ALA 252 Cb 1.07 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1cpe h ALA 252 CO 0.05 0.58 -1.38 -0.91 0.00 0.00 0.00 179.25 177.59 1cpe h ASN 253 N 0.02 0.00 -2.60 0.00 4.21 -1.28 -3.45 115.58 112.47 1cpe h ASN 253 Ca -0.00 0.00 -0.51 0.00 1.21 0.00 0.00 56.30 57.00 1cpe h ASN 253 Cb 0.82 0.00 -0.38 0.00 -1.12 0.00 0.00 38.32 37.64 1cpe h ASN 253 CO 0.06 0.62 -0.77 -0.62 -1.29 0.00 0.00 177.43 175.43 1cpe s ASP 254 N -5.86 3.00 0.45 5.81 2.15 -0.70 -4.98 116.67 116.53 1cpe s ASP 254 Ca -0.03 -1.46 0.16 0.00 0.43 0.00 0.00 52.55 51.65 1cpe s ASP 254 Cb 0.09 -0.19 1.11 0.00 -0.30 0.00 0.00 42.92 43.62 1cpe s ASP 254 CO 0.81 -0.39 1.98 -0.61 -0.17 0.00 0.00 175.17 176.79 1cpe h GLN 255 N 7.95 0.31 -0.32 4.34 4.15 -1.87 -2.15 115.11 127.52 1cpe h GLN 255 Ca -0.11 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.25 1cpe h GLN 255 Cb 1.01 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.62 1cpe h GLN 255 CO 0.37 0.21 0.05 -0.44 -1.93 0.00 0.00 178.83 177.08 1cpe h ASP 256 N 0.32 0.52 -0.66 -0.69 3.32 -1.93 0.76 116.42 118.05 1cpe h ASP 256 Ca 0.28 -0.27 0.06 0.00 0.02 0.00 0.00 57.03 57.13 1cpe h ASP 256 Cb 0.67 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 40.02 1cpe h ASP 256 CO -0.07 0.65 0.36 0.50 -1.72 0.00 0.00 179.24 178.96 1cpe h LYS 257 N 0.36 0.64 -0.36 3.56 1.63 -1.79 -0.02 116.57 120.59 1cpe h LYS 257 Ca 0.10 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.88 1cpe h LYS 257 Cb 0.36 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.82 1cpe h LYS 257 CO 0.01 0.42 0.19 0.35 -3.45 0.00 0.00 179.45 176.97 1cpe h PHE 258 N 0.65 0.36 -0.62 1.91 3.57 -0.98 -1.32 116.94 120.52 1cpe h PHE 258 Ca 0.30 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 1cpe h PHE 258 Cb 0.22 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1cpe h PHE 258 CO -0.09 0.20 0.28 0.74 -2.23 0.00 0.00 178.31 177.21 1cpe h PHE 259 N 0.39 0.91 -0.30 0.41 -1.00 0.27 -0.35 116.94 117.28 1cpe h PHE 259 Ca 0.15 -0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.85 1cpe h PHE 259 Cb 0.04 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.31 1cpe h PHE 259 CO -0.09 0.70 0.10 0.87 -1.61 0.00 0.00 178.31 178.29 1cpe h LYS 260 N 0.85 0.46 -0.66 1.51 1.57 -0.75 -1.87 116.57 117.69 1cpe h LYS 260 Ca 0.21 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1cpe h LYS 260 Cb 0.15 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1cpe h LYS 260 CO -0.02 0.50 0.33 -0.44 -0.57 0.00 0.00 179.45 179.24 1cpe h ASP 261 N 0.33 0.85 -0.32 0.86 3.32 -1.12 -2.16 116.42 118.18 1cpe h ASP 261 Ca 0.10 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1cpe h ASP 261 Cb 0.22 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1cpe h ASP 261 CO -0.00 0.74 0.17 0.15 -1.72 0.00 0.00 179.24 178.57 1cpe h PHE 262 N 0.91 0.45 0.15 4.55 3.57 -0.98 -1.70 116.94 123.88 1cpe h PHE 262 Ca 0.23 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.73 1cpe h PHE 262 Cb 0.10 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 1cpe h PHE 262 CO 0.00 0.37 -0.36 1.03 -2.23 0.00 0.00 178.31 177.13 1cpe h SER 263 N 0.40 -1.03 -0.94 0.41 0.87 -1.17 0.24 113.55 112.34 1cpe h SER 263 Ca 0.11 0.11 0.05 0.00 -1.23 0.00 0.00 61.79 60.84 1cpe h SER 263 Cb 0.07 0.38 -0.06 0.00 -0.44 0.00 0.00 62.40 62.36 1cpe h SER 263 CO -0.02 -0.45 0.60 0.11 -0.53 0.00 0.00 176.83 176.55 1cpe h LYS 264 N -0.60 1.09 -0.20 2.24 1.57 -1.29 -2.25 116.57 117.13 1cpe h LYS 264 Ca 0.02 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 1cpe h LYS 264 Cb 0.62 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1cpe h LYS 264 CO -0.19 0.72 -0.36 0.00 -0.57 0.00 0.00 179.45 179.04 1cpe h ALA 265 N 1.42 0.31 -0.57 3.86 0.00 -0.79 -2.15 119.26 121.34 1cpe h ALA 265 Ca 0.40 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1cpe h ALA 265 Cb 0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1cpe h ALA 265 CO -0.15 0.38 0.37 0.35 0.00 0.00 0.00 179.25 180.19 1cpe h PHE 266 N 0.27 0.72 -0.03 0.00 3.57 -0.38 0.25 116.94 121.34 1cpe h PHE 266 Ca 0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1cpe h PHE 266 Cb 0.96 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 1cpe h PHE 266 CO 0.09 0.47 0.00 1.49 -2.23 0.00 0.00 178.31 178.13 1cpe h GLU 267 N 0.77 0.01 -0.67 1.11 4.81 -1.43 -0.63 114.58 118.56 1cpe h GLU 267 Ca 0.21 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.49 1cpe h GLU 267 Cb -0.07 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.26 1cpe h GLU 267 CO -0.04 0.01 0.38 -0.22 -0.73 0.00 0.00 179.01 178.41 1cpe h LYS 268 N 0.02 0.69 -0.80 1.92 3.64 -0.94 -0.29 116.57 120.81 1cpe h LYS 268 Ca 0.01 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1cpe h LYS 268 Cb 0.01 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.63 1cpe h LYS 268 CO -0.02 0.46 0.51 1.25 -2.27 0.00 0.00 179.45 179.37 1cpe h LEU 269 N 0.71 0.84 -0.00 5.20 5.85 -0.04 -0.94 115.31 126.93 1cpe h LEU 269 Ca 0.29 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1cpe h LEU 269 Cb 0.16 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1cpe h LEU 269 CO -0.17 0.57 0.00 0.18 -0.34 0.00 0.00 178.44 178.69 1cpe n LEU 270 N -4.60 0.03 -0.44 2.25 4.77 -0.29 -3.19 117.00 115.54 1cpe n LEU 270 Ca 0.10 0.50 0.08 0.00 -0.03 0.00 0.00 56.01 56.65 1cpe n LEU 270 Cb 0.09 -0.49 0.02 0.00 -2.33 0.00 0.00 43.42 40.71 1cpe n LEU 270 CO 0.33 -0.03 0.34 -0.62 -1.33 0.00 0.00 177.39 176.08 1cpe n GLU 271 N -1.52 1.56 -1.73 3.23 1.02 -0.21 -4.73 120.64 118.26 1cpe n GLU 271 Ca 0.07 -1.00 -0.42 0.00 -0.02 0.00 0.00 57.16 55.78 1cpe n GLU 271 Cb 0.33 -1.26 -0.02 0.00 -0.02 0.00 0.00 31.44 30.47 1cpe n GLU 271 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1cpe n ASN 272 N 0.21 3.66 0.00 1.62 3.02 -0.42 -1.82 115.26 121.52 1cpe n ASN 272 Ca 0.07 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.76 1cpe n ASN 272 Cb 0.34 -1.56 0.00 0.00 -0.61 0.00 0.00 39.78 37.95 1cpe n ASN 272 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cpe n GLY 273 N 2.26 1.38 3.67 7.41 0.00 -1.26 -4.51 105.19 114.14 1cpe n GLY 273 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1cpe n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cpe s ILE 274 N -3.11 4.54 -0.33 -0.61 1.01 -0.75 -4.31 121.20 117.64 1cpe s ILE 274 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.40 1cpe s ILE 274 Cb 0.00 -2.97 -0.00 0.00 0.01 0.00 0.00 42.46 39.50 1cpe s ILE 274 CO 0.00 0.55 0.18 -0.89 0.00 0.00 0.00 174.94 174.78 1cpe s THR 275 N -0.40 4.73 -0.40 2.92 2.01 0.29 -4.96 115.64 119.84 1cpe s THR 275 Ca 0.08 -0.45 -0.19 0.00 0.31 0.00 0.00 61.69 61.44 1cpe s THR 275 Cb -0.12 -3.45 0.01 0.00 0.01 0.00 0.00 72.50 68.95 1cpe s THR 275 CO 0.02 0.00 0.58 -0.36 -0.69 0.00 0.00 174.62 174.17 1cpe s PHE 276 N 1.63 3.12 1.22 4.92 0.08 -1.26 -1.02 117.98 126.68 1cpe s PHE 276 Ca 0.04 0.05 -0.14 0.00 0.12 0.00 0.00 56.93 57.00 1cpe s PHE 276 Cb -0.17 -3.14 0.31 0.00 -0.57 0.00 0.00 43.02 39.45 1cpe s PHE 276 CO 0.07 -0.71 1.00 -1.25 -0.10 0.00 0.00 175.22 174.23 1cpe s PRO 277 N 2.60 -1.39 0.22 0.24 0.04 -1.26 -4.91 135.00 130.53 1cpe s PRO 277 Ca 0.21 0.71 -0.09 0.00 0.04 0.00 0.00 61.00 61.87 1cpe s PRO 277 Cb -0.15 -1.51 0.18 0.00 0.04 0.00 0.00 34.50 33.06 1cpe s PRO 277 CO 0.16 -4.01 1.85 -0.22 0.04 0.00 0.00 177.00 174.82 1cpe h LYS 278 N -2.82 1.13 -0.01 4.56 3.64 -2.00 -2.95 116.57 118.12 1cpe h LYS 278 Ca -0.60 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 58.65 1cpe h LYS 278 Cb 1.34 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1cpe h LYS 278 CO 0.48 0.82 0.00 -0.40 -2.27 0.00 0.00 179.45 178.08 1cpe n ASP 279 N -4.42 0.83 -4.69 4.20 5.75 -1.26 -4.93 116.55 112.04 1cpe n ASP 279 Ca 0.08 -1.29 -0.40 0.00 -0.01 0.00 0.00 54.79 53.17 1cpe n ASP 279 Cb 0.08 -0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.19 1cpe n ASP 279 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cpe n ALA 280 N -0.34 1.12 -0.87 2.12 0.00 -1.12 -4.94 120.51 116.49 1cpe n ALA 280 Ca 0.21 0.22 -0.30 0.00 0.00 0.00 0.00 53.44 53.57 1cpe n ALA 280 Cb 0.24 -2.25 0.17 0.00 0.00 0.00 0.00 19.45 17.62 1cpe n ALA 280 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1cpe s PRO 281 N -2.32 0.78 0.96 0.00 0.04 -1.26 -4.97 135.00 128.22 1cpe s PRO 281 Ca 0.64 1.14 -0.12 0.00 0.04 0.00 0.00 61.00 62.69 1cpe s PRO 281 Cb -0.49 -1.73 0.16 0.00 0.04 0.00 0.00 34.50 32.48 1cpe s PRO 281 CO 0.56 -2.66 1.12 -1.12 0.04 0.00 0.00 177.00 174.94 1cpe s SER 282 N -2.93 3.07 0.39 6.66 0.01 -1.26 -4.96 113.70 114.68 1cpe s SER 282 Ca 0.65 1.04 -0.26 0.00 1.31 0.00 0.00 55.95 58.70 1cpe s SER 282 Cb -0.21 -1.65 -0.09 0.00 0.21 0.00 0.00 66.02 64.28 1cpe s SER 282 CO 0.59 -2.83 1.17 -2.84 0.41 0.00 0.00 173.24 169.74 1cpe s PRO 283 N -5.15 4.10 0.11 12.44 0.02 -1.26 -4.91 135.00 140.35 1cpe s PRO 283 Ca 0.65 1.86 -0.12 0.00 0.02 0.00 0.00 61.00 63.40 1cpe s PRO 283 Cb -0.16 -2.72 -0.06 0.00 0.02 0.00 0.00 34.50 31.57 1cpe s PRO 283 CO 0.55 -0.29 0.48 -0.06 -0.33 0.00 0.00 177.00 177.35 1cpe s PHE 284 N -1.39 3.60 -0.32 6.54 0.08 0.10 -4.80 117.98 121.79 1cpe s PHE 284 Ca 0.56 0.94 0.02 0.00 0.12 0.00 0.00 56.93 58.57 1cpe s PHE 284 Cb -0.31 -2.28 0.08 0.00 -0.57 0.00 0.00 43.02 39.94 1cpe s PHE 284 CO 0.39 0.47 0.02 0.42 -0.10 0.00 0.00 175.22 176.43 1cpe s ILE 285 N -1.43 2.51 0.34 0.64 1.09 -1.26 -0.40 121.20 122.70 1cpe s ILE 285 Ca 0.35 -1.94 -0.26 0.00 -1.10 0.00 0.00 60.65 57.70 1cpe s ILE 285 Cb -0.15 -2.66 -0.09 0.00 -1.06 0.00 0.00 42.46 38.50 1cpe s ILE 285 CO 0.19 -0.37 1.01 -0.36 -0.10 0.00 0.00 174.94 175.30 1cpe s PHE 286 N 1.05 3.53 0.33 3.97 0.08 -1.26 -5.05 117.98 120.63 1cpe s PHE 286 Ca 0.02 1.72 -0.26 0.00 0.12 0.00 0.00 56.93 58.54 1cpe s PHE 286 Cb -0.20 -3.06 -0.10 0.00 -0.57 0.00 0.00 43.02 39.09 1cpe s PHE 286 CO -0.05 -0.21 0.95 0.15 -0.10 0.00 0.00 175.22 175.95 1cpe s LYS 287 N -2.09 4.57 0.81 0.44 -0.14 -1.26 -5.02 119.74 117.05 1cpe s LYS 287 Ca 0.52 1.33 -0.11 0.00 -1.36 0.00 0.00 55.97 56.35 1cpe s LYS 287 Cb -0.22 -2.79 0.10 0.00 -1.68 0.00 0.00 37.83 33.24 1cpe s LYS 287 CO 0.28 0.27 1.16 0.95 -0.76 0.00 0.00 175.35 177.25 1cpe s THR 288 N -1.62 2.08 0.16 2.17 -4.23 -1.26 -4.88 115.64 108.06 1cpe s THR 288 Ca 0.50 -0.10 -0.17 0.00 -1.18 0.00 0.00 61.69 60.75 1cpe s THR 288 Cb -0.19 -2.98 0.06 0.00 1.34 0.00 0.00 72.50 70.73 1cpe s THR 288 CO 0.24 0.00 1.70 -0.07 -0.54 0.00 0.00 174.62 175.94 1cpe h LEU 289 N -1.05 -0.19 -1.10 4.79 3.38 -1.97 -0.83 115.31 118.36 1cpe h LEU 289 Ca -0.45 0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.66 1cpe h LEU 289 Cb 1.30 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 42.16 1cpe h LEU 289 CO 0.57 -0.06 0.61 -0.08 0.09 0.00 0.00 178.44 179.58 1cpe h GLU 290 N 0.08 1.11 0.00 1.13 4.81 -1.92 0.28 114.58 120.06 1cpe h GLU 290 Ca 0.18 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1cpe h GLU 290 Cb 0.25 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1cpe h GLU 290 CO -0.31 0.73 0.00 0.93 -0.73 0.00 0.00 179.01 179.63 1cpe h GLU 291 N 1.14 0.00 -0.09 1.92 5.08 -1.51 -0.93 114.58 120.19 1cpe h GLU 291 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1cpe h GLU 291 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1cpe h GLU 291 CO -0.13 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 178.92 1cpe n GLN 292 N -3.08 2.34 -2.09 2.33 6.02 0.75 -4.94 117.38 118.72 1cpe n GLN 292 Ca -0.01 -1.98 -0.11 0.00 -0.01 0.00 0.00 57.00 54.89 1cpe n GLN 292 Cb 0.22 -1.47 -0.01 0.00 1.02 0.00 0.00 30.24 30.00 1cpe n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cpe n GLY 293 N 1.37 0.10 0.53 1.08 0.00 0.11 -5.07 105.19 103.31 1cpe n GLY 293 Ca 0.15 -0.42 0.07 0.00 0.00 0.00 0.00 46.02 45.82 1cpe n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36