#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cpg s VAL 5 N 0.00 0.67 -0.24 4.08 1.01 -1.26 -4.88 120.40 119.78 1cpg s VAL 5 Ca 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 1cpg s VAL 5 Cb 0.00 -0.59 0.07 0.00 0.00 0.00 0.00 36.38 35.86 1cpg s VAL 5 CO 0.00 0.21 0.01 -1.00 0.00 0.00 0.00 175.10 174.31 1cpg s HIS 6 N 0.05 1.93 -0.11 5.22 3.76 -1.26 -5.05 115.29 119.83 1cpg s HIS 6 Ca -0.01 -1.54 -0.12 0.00 -0.15 0.00 0.00 55.06 53.24 1cpg s HIS 6 Cb -0.06 -1.50 -0.05 0.00 1.11 0.00 0.00 32.58 32.08 1cpg s HIS 6 CO -0.00 -0.75 0.28 0.08 -0.85 0.00 0.00 174.74 173.50 1cpg s VAL 7 N 1.55 5.29 0.13 -0.90 1.01 -1.26 0.20 120.40 126.42 1cpg s VAL 7 Ca -0.01 0.53 -0.31 0.00 0.00 0.00 0.00 61.98 62.19 1cpg s VAL 7 Cb -0.18 -3.59 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 1cpg s VAL 7 CO -0.10 0.50 1.41 0.00 0.00 0.00 0.00 175.10 176.91 1cpg s ALA 8 N -0.33 3.62 -0.24 5.51 0.00 -0.55 -4.84 121.76 124.93 1cpg s ALA 8 Ca 0.18 1.16 -0.00 0.00 0.00 0.00 0.00 51.96 53.30 1cpg s ALA 8 Cb -0.14 -3.55 0.07 0.00 0.00 0.00 0.00 23.12 19.50 1cpg s ALA 8 CO 0.06 -0.64 -0.01 0.45 0.00 0.00 0.00 175.76 175.63 1cpg s SER 9 N 1.02 3.69 0.15 0.00 0.15 0.33 -4.70 113.70 114.33 1cpg s SER 9 Ca 0.65 -1.19 -0.34 0.00 0.70 0.00 0.00 55.95 55.76 1cpg s SER 9 Cb -0.38 -1.03 -0.15 0.00 -1.71 0.00 0.00 66.02 62.76 1cpg s SER 9 CO 0.31 -0.28 1.51 0.52 1.20 0.00 0.00 173.24 176.51 1cpg n VAL 10 N 4.76 0.05 -1.66 4.45 0.31 -1.26 -4.36 118.33 120.63 1cpg n VAL 10 Ca -0.09 -0.01 -0.51 0.00 -0.01 0.00 0.00 64.34 63.71 1cpg n VAL 10 Cb 0.44 -1.36 -0.06 0.00 -0.91 0.00 0.00 33.84 31.96 1cpg n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1cpg n GLU 11 N 3.13 1.59 -1.54 5.55 4.71 -1.26 -4.68 120.64 128.14 1cpg n GLU 11 Ca 0.17 0.58 -0.55 0.00 -0.01 0.00 0.00 57.16 57.35 1cpg n GLU 11 Cb 0.27 -2.30 -0.08 0.00 -1.01 0.00 0.00 31.44 28.31 1cpg n GLU 11 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1cpg n LYS 12 N 4.26 0.95 -0.99 3.49 3.00 -1.26 -2.24 118.16 125.37 1cpg n LYS 12 Ca 0.21 0.31 0.00 0.00 -0.00 0.00 0.00 58.31 58.83 1cpg n LYS 12 Cb 0.22 -2.15 0.00 0.00 0.00 0.00 0.00 35.03 33.10 1cpg n LYS 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1cpg n GLY 13 N 5.60 0.58 3.87 3.14 0.00 -1.26 -5.04 105.19 112.07 1cpg n GLY 13 Ca 0.36 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 1cpg n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cpg s ARG 14 N -0.16 3.82 0.08 1.61 1.81 -0.95 -5.09 118.95 120.08 1cpg s ARG 14 Ca 0.00 0.28 0.01 0.00 -1.72 0.00 0.00 55.73 54.30 1cpg s ARG 14 Cb 0.00 -2.78 -0.00 0.00 -0.45 0.00 0.00 34.95 31.72 1cpg s ARG 14 CO 0.00 0.40 0.02 -1.13 -0.68 0.00 0.00 175.30 173.91 1cpg n SER 15 N 0.25 1.23 -0.21 0.23 3.41 -1.26 -4.91 113.62 112.37 1cpg n SER 15 Ca -0.02 -1.42 -0.11 0.00 -0.26 0.00 0.00 58.87 57.06 1cpg n SER 15 Cb 0.52 0.17 -0.07 0.00 -0.26 0.00 0.00 64.21 64.58 1cpg n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1cpg h TYR 16 N 1.11 -1.51 -1.06 7.33 3.20 -2.00 0.73 116.97 124.77 1cpg h TYR 16 Ca -0.06 0.09 0.30 0.00 3.14 0.00 0.00 58.73 62.19 1cpg h TYR 16 Cb 0.23 0.74 -0.06 0.00 1.54 0.00 0.00 36.73 39.18 1cpg h TYR 16 CO 0.00 -0.44 0.74 0.93 -1.64 0.00 0.00 178.16 177.75 1cpg h GLU 17 N -0.26 0.14 -0.01 1.82 3.07 -1.99 0.56 114.58 117.90 1cpg h GLU 17 Ca 0.14 -0.01 -0.16 0.00 -0.50 0.00 0.00 59.36 58.83 1cpg h GLU 17 Cb 0.56 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 1cpg h GLU 17 CO -0.69 0.09 -0.72 -0.44 -1.40 0.00 0.00 179.01 175.85 1cpg h ASP 18 N 0.14 0.10 0.26 1.42 3.32 -1.24 -3.13 116.42 117.30 1cpg h ASP 18 Ca 0.54 -0.07 -0.26 0.00 0.02 0.00 0.00 57.03 57.26 1cpg h ASP 18 Cb 1.86 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 41.39 1cpg h ASP 18 CO -0.10 0.79 -1.09 -0.26 -1.72 0.00 0.00 179.24 176.85 1cpg h PHE 19 N 0.06 0.79 -0.77 4.55 0.04 0.18 -3.11 116.94 118.68 1cpg h PHE 19 Ca -0.01 -0.47 0.14 0.00 2.80 0.00 0.00 57.97 60.43 1cpg h PHE 19 Cb 1.28 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 39.30 1cpg h PHE 19 CO 0.01 1.31 0.51 0.37 -0.60 0.00 0.00 178.31 179.91 1cpg h GLN 20 N 0.25 0.46 -0.28 1.51 5.75 -0.87 -0.45 115.11 121.48 1cpg h GLN 20 Ca -0.13 -0.03 -0.16 0.00 -0.15 0.00 0.00 58.65 58.18 1cpg h GLN 20 Cb 1.75 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 30.19 1cpg h GLN 20 CO 0.20 0.31 -0.48 0.87 -2.65 0.00 0.00 178.83 177.07 1cpg h LYS 21 N 0.48 0.77 -0.67 1.69 1.57 -1.49 0.62 116.57 119.54 1cpg h LYS 21 Ca 0.38 -0.45 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1cpg h LYS 21 Cb 0.79 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 1cpg h LYS 21 CO -0.13 1.07 0.25 0.28 -0.57 0.00 0.00 179.45 180.35 1cpg h VAL 22 N 0.61 1.24 0.46 0.50 2.07 -1.07 0.60 116.25 120.66 1cpg h VAL 22 Ca 0.03 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1cpg h VAL 22 Cb 1.05 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1cpg h VAL 22 CO 0.10 0.31 -0.42 0.22 0.02 0.00 0.00 177.57 177.81 1cpg h TYR 23 N 0.95 -1.13 -0.41 1.57 5.03 -0.99 0.38 116.97 122.38 1cpg h TYR 23 Ca 0.22 0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.57 1cpg h TYR 23 Cb 0.24 0.43 -0.02 0.00 1.55 0.00 0.00 36.73 38.93 1cpg h TYR 23 CO 0.02 -0.58 0.28 -0.91 -1.32 0.00 0.00 178.16 175.64 1cpg h ASN 24 N -0.88 0.37 0.13 -2.11 -0.26 -0.73 0.16 115.58 112.26 1cpg h ASN 24 Ca -0.05 -0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.56 1cpg h ASN 24 Cb 0.76 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.93 1cpg h ASN 24 CO -0.04 0.26 -0.44 0.00 -1.06 0.00 0.00 177.43 176.15 1cpg h ALA 25 N 1.76 0.95 -0.20 -0.83 0.00 0.29 -0.51 119.26 120.71 1cpg h ALA 25 Ca 0.17 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1cpg h ALA 25 Cb 0.13 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1cpg h ALA 25 CO -0.04 0.64 -0.20 0.82 0.00 0.00 0.00 179.25 180.47 1cpg h ILE 26 N 0.32 1.33 -0.45 0.00 2.04 0.85 -2.48 117.51 119.12 1cpg h ILE 26 Ca 0.02 -1.36 0.04 0.00 1.00 0.00 0.00 64.86 64.57 1cpg h ILE 26 Cb 0.91 1.75 -0.04 0.00 -0.74 0.00 0.00 36.82 38.69 1cpg h ILE 26 CO 0.08 0.42 0.20 0.00 0.00 0.00 0.00 178.15 178.85 1cpg h ALA 27 N 0.65 0.56 -0.32 1.87 0.00 -0.64 0.93 119.26 122.31 1cpg h ALA 27 Ca 0.03 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1cpg h ALA 27 Cb 0.75 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1cpg h ALA 27 CO 0.05 -0.16 -0.10 -0.07 0.00 0.00 0.00 179.25 178.97 1cpg h LEU 28 N 0.41 0.51 -0.86 0.00 3.38 -1.11 -1.45 115.31 116.19 1cpg h LEU 28 Ca 0.20 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1cpg h LEU 28 Cb 0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1cpg h LEU 28 CO -0.16 0.65 -0.49 0.50 0.09 0.00 0.00 178.44 179.02 1cpg h LYS 29 N 0.49 0.00 -0.57 1.13 3.64 -0.77 -2.43 116.57 118.06 1cpg h LYS 29 Ca 0.09 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 1cpg h LYS 29 Cb 0.47 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1cpg h LYS 29 CO 0.03 0.49 0.03 -0.07 -2.27 0.00 0.00 179.45 177.66 1cpg h LEU 30 N 0.00 0.97 -0.93 5.20 3.38 0.16 -1.74 115.31 122.34 1cpg h LEU 30 Ca -0.00 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.69 1cpg h LEU 30 Cb 0.99 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 1cpg h LEU 30 CO 0.06 1.02 0.61 -0.09 0.09 0.00 0.00 178.44 180.13 1cpg h ARG 31 N 0.88 1.18 0.02 1.13 2.43 -1.17 -3.26 114.38 115.60 1cpg h ARG 31 Ca 0.17 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1cpg h ARG 31 Cb 0.51 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1cpg h ARG 31 CO 0.02 0.78 -0.01 1.49 -1.51 0.00 0.00 179.97 180.75 1cpg h GLU 32 N 1.22 -0.03 -2.47 0.20 4.81 -1.15 -3.35 114.58 113.82 1cpg h GLU 32 Ca 0.35 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.95 1cpg h GLU 32 Cb -0.08 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 29.19 1cpg h GLU 32 CO -0.09 0.49 1.90 -0.25 -0.73 0.00 0.00 179.01 180.33 1cpg n ASP 33 N -4.85 7.56 -0.32 1.04 9.92 -0.68 -4.71 116.55 124.51 1cpg n ASP 33 Ca -0.09 -3.04 0.02 0.00 -0.53 0.00 0.00 54.79 51.16 1cpg n ASP 33 Cb 0.27 -1.36 0.06 0.00 -0.64 0.00 0.00 41.12 39.46 1cpg n ASP 33 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1cpg n ASP 34 N 1.80 0.88 0.04 -2.24 5.75 -1.26 -3.91 116.55 117.61 1cpg n ASP 34 Ca 0.60 -2.02 0.11 0.00 -0.01 0.00 0.00 54.79 53.47 1cpg n ASP 34 Cb 0.37 -0.14 0.06 0.00 -1.03 0.00 0.00 41.12 40.37 1cpg n ASP 34 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1cpg n GLU 35 N -0.06 0.30 -1.59 0.11 1.02 -1.26 -4.01 120.64 115.15 1cpg n GLU 35 Ca 0.05 0.02 -0.51 0.00 -0.02 0.00 0.00 57.16 56.70 1cpg n GLU 35 Cb 0.15 -1.62 -0.05 0.00 -0.02 0.00 0.00 31.44 29.90 1cpg n GLU 35 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1cpg n TYR 36 N -2.02 1.42 -3.70 -0.32 9.36 -1.25 -1.43 117.16 119.23 1cpg n TYR 36 Ca 0.02 0.65 -0.28 0.00 3.32 0.00 0.00 57.90 61.62 1cpg n TYR 36 Cb 0.44 -2.31 0.03 0.00 -0.63 0.00 0.00 39.34 36.87 1cpg n TYR 36 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1cpg n ASP 37 N 2.30 -3.97 -3.84 2.98 -0.08 -1.26 -1.21 116.55 111.48 1cpg n ASP 37 Ca 0.17 -0.96 -0.37 0.00 -1.51 0.00 0.00 54.79 52.12 1cpg n ASP 37 Cb 0.22 -3.56 0.03 0.00 2.34 0.00 0.00 41.12 40.14 1cpg n ASP 37 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1cpg n ASN 38 N -2.82 -4.89 -0.31 1.67 6.94 -1.06 -2.59 115.26 112.20 1cpg n ASN 38 Ca -0.16 -1.11 -0.04 0.00 -0.02 0.00 0.00 54.58 53.25 1cpg n ASN 38 Cb 0.62 -2.60 -0.02 0.00 -2.36 0.00 0.00 39.78 35.42 1cpg n ASN 38 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1cpg n TYR 39 N -4.38 0.00 0.12 -2.53 4.02 -0.51 -4.88 117.16 109.00 1cpg n TYR 39 Ca -0.11 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.58 1cpg n TYR 39 Cb 0.58 -1.34 -0.15 0.00 -0.02 0.00 0.00 39.34 38.42 1cpg n TYR 39 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1cpg h ILE 40 N 0.00 1.38 0.00 -0.72 2.04 -0.89 -3.47 117.51 115.85 1cpg h ILE 40 Ca -0.08 -2.89 0.00 0.00 1.00 0.00 0.00 64.86 62.89 1cpg h ILE 40 Cb 0.54 2.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.61 1cpg h ILE 40 CO 0.12 0.85 0.00 0.61 0.00 0.00 0.00 178.15 179.74 1cpg n GLY 41 N 1.63 0.24 0.23 5.37 0.00 -0.73 -4.65 105.19 107.28 1cpg n GLY 41 Ca -0.13 -1.98 0.14 0.00 0.00 0.00 0.00 46.02 44.05 1cpg n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cpg n TYR 42 N 0.14 0.00 -0.17 1.61 4.02 -1.26 -4.38 117.16 117.11 1cpg n TYR 42 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 1cpg n TYR 42 Cb 0.00 -0.11 -0.08 0.00 -0.02 0.00 0.00 39.34 39.14 1cpg n TYR 42 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1cpg h GLY 43 N 4.93 -0.80 0.61 2.72 0.00 -1.94 -2.36 103.07 106.23 1cpg h GLY 43 Ca 0.00 0.66 0.03 0.00 0.00 0.00 0.00 47.33 48.02 1cpg h GLY 43 CO 0.00 -0.13 -0.13 -2.55 0.00 0.00 0.00 176.54 173.73 1cpg h PRO 44 N -0.33 -0.18 -0.15 4.80 0.11 -1.89 -2.00 132.00 132.36 1cpg h PRO 44 Ca 0.11 0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.28 1cpg h PRO 44 Cb 0.58 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 1cpg h PRO 44 CO -0.63 -0.12 0.13 -0.24 -0.21 0.00 0.00 178.00 176.92 1cpg h VAL 45 N -0.19 0.76 -0.20 3.15 3.04 -1.77 -1.73 116.25 119.31 1cpg h VAL 45 Ca 0.06 0.00 -0.21 0.00 -1.01 0.00 0.00 66.70 65.55 1cpg h VAL 45 Cb 0.28 0.91 0.01 0.00 -2.01 0.00 0.00 31.29 30.47 1cpg h VAL 45 CO -0.17 0.00 -0.69 -0.07 -1.01 0.00 0.00 177.57 175.63 1cpg h LEU 46 N 0.00 0.94 -0.56 3.16 3.38 -0.86 -0.16 115.31 121.22 1cpg h LEU 46 Ca 0.07 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 1cpg h LEU 46 Cb 0.33 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1cpg h LEU 46 CO -0.00 1.37 0.28 0.58 0.09 0.00 0.00 178.44 180.76 1cpg h VAL 47 N 0.58 1.20 -0.44 1.22 2.07 -0.75 -0.33 116.25 119.79 1cpg h VAL 47 Ca -0.03 -0.55 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 1cpg h VAL 47 Cb 1.31 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1cpg h VAL 47 CO 0.15 0.23 -0.00 -0.09 0.02 0.00 0.00 177.57 177.87 1cpg h ARG 48 N 0.76 0.72 -0.22 1.57 2.43 -1.30 0.23 114.38 118.57 1cpg h ARG 48 Ca 0.19 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1cpg h ARG 48 Cb 0.10 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1cpg h ARG 48 CO -0.03 0.74 0.04 1.25 -1.51 0.00 0.00 179.97 180.46 1cpg h LEU 49 N 0.68 0.34 -1.07 3.80 5.85 -0.38 0.80 115.31 125.33 1cpg h LEU 49 Ca 0.14 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.64 1cpg h LEU 49 Cb 0.42 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1cpg h LEU 49 CO 0.02 0.50 0.63 0.00 -0.34 0.00 0.00 178.44 179.25 1cpg h ALA 50 N 0.85 1.37 -0.31 1.25 0.00 -0.75 -1.28 119.26 120.40 1cpg h ALA 50 Ca 0.07 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 1cpg h ALA 50 Cb 0.30 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1cpg h ALA 50 CO 0.00 0.56 -0.52 2.35 0.00 0.00 0.00 179.25 181.63 1cpg h TRP 51 N 1.23 1.11 -0.02 0.00 2.91 -0.62 -3.17 115.95 117.39 1cpg h TRP 51 Ca 0.37 -0.39 -0.08 0.00 1.13 0.00 0.00 58.89 59.93 1cpg h TRP 51 Cb -0.04 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.39 1cpg h TRP 51 CO -0.00 1.22 -0.35 0.45 -1.03 0.00 0.00 178.44 178.73 1cpg h HIS 52 N 0.69 0.04 0.00 2.65 3.86 -0.28 0.72 115.15 122.83 1cpg h HIS 52 Ca 0.02 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1cpg h HIS 52 Cb 1.13 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.59 1cpg h HIS 52 CO 0.07 0.39 0.00 -0.84 0.86 0.00 0.00 177.93 178.41 1cpg h ILE 53 N 0.04 0.00 0.00 2.45 -0.00 -1.29 -3.24 117.51 115.46 1cpg h ILE 53 Ca 0.00 -0.57 -0.00 0.00 -0.00 0.00 0.00 64.86 64.29 1cpg h ILE 53 Cb 0.64 1.53 -0.00 0.00 -0.00 0.00 0.00 36.82 38.99 1cpg h ILE 53 CO 0.05 0.00 -1.98 -1.20 -0.00 0.00 0.00 178.15 175.01 1cpg n SER 54 N -2.51 0.10 -0.07 2.16 7.64 -0.85 -2.75 113.62 117.34 1cpg n SER 54 Ca 0.04 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.04 1cpg n SER 54 Cb 0.42 1.97 0.68 0.00 -1.01 0.00 0.00 64.21 66.27 1cpg n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cpg n GLY 55 N 1.29 -0.84 0.26 0.23 0.00 0.19 -3.20 105.19 103.12 1cpg n GLY 55 Ca -0.04 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.93 1cpg n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cpg n THR 56 N -0.72 0.00 -1.83 2.61 -2.24 -1.26 -4.61 114.28 106.23 1cpg n THR 56 Ca 0.18 -0.13 -0.38 0.00 -2.27 0.00 0.00 64.05 61.44 1cpg n THR 56 Cb 0.12 0.15 0.04 0.00 -2.10 0.00 0.00 70.33 68.54 1cpg n THR 56 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1cpg s TRP 57 N -2.22 2.34 -0.31 4.78 -0.00 -1.19 -4.23 118.94 118.11 1cpg s TRP 57 Ca 0.35 1.39 0.01 0.00 -0.00 0.00 0.00 56.10 57.85 1cpg s TRP 57 Cb 0.21 -3.76 0.09 0.00 -0.00 0.00 0.00 33.47 30.01 1cpg s TRP 57 CO 0.41 -2.77 0.06 0.34 -0.00 0.00 0.00 176.95 175.00 1cpg s ASP 58 N -1.00 4.23 0.38 5.86 -1.08 -0.61 -4.66 116.67 119.79 1cpg s ASP 58 Ca 0.71 -1.73 0.19 0.00 -0.52 0.00 0.00 52.55 51.20 1cpg s ASP 58 Cb -0.39 -1.16 1.06 0.00 -1.46 0.00 0.00 42.92 40.97 1cpg s ASP 58 CO 0.46 -0.38 1.55 0.07 0.52 0.00 0.00 175.17 177.39 1cpg h LYS 59 N 7.91 0.00 -0.01 4.34 2.10 -1.75 0.37 116.57 129.54 1cpg h LYS 59 Ca -0.11 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.47 1cpg h LYS 59 Cb 1.03 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.36 1cpg h LYS 59 CO 0.48 0.00 -0.26 0.45 -2.00 0.00 0.00 179.45 178.12 1cpg h HIS 60 N 0.00 0.27 -0.05 0.07 3.86 -1.94 -3.38 115.15 113.98 1cpg h HIS 60 Ca 0.00 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 1cpg h HIS 60 Cb 0.38 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1cpg h HIS 60 CO 0.00 0.94 0.00 -0.40 0.86 0.00 0.00 177.93 179.33 1cpg n ASP 61 N -4.50 1.71 -0.09 2.45 5.68 -0.89 -5.01 116.55 115.90 1cpg n ASP 61 Ca -0.10 -1.48 -0.01 0.00 -0.50 0.00 0.00 54.79 52.70 1cpg n ASP 61 Cb 0.50 -0.03 -0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1cpg n ASP 61 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1cpg n ASN 62 N 0.08 -4.67 -4.88 -1.12 4.05 0.12 -4.43 115.26 104.42 1cpg n ASN 62 Ca 0.03 0.03 -0.30 0.00 0.45 0.00 0.00 54.58 54.79 1cpg n ASN 62 Cb 0.18 -2.27 0.03 0.00 1.23 0.00 0.00 39.78 38.94 1cpg n ASN 62 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1cpg s THR 63 N -1.53 4.17 0.00 -0.44 -4.23 -1.25 -4.85 115.64 107.51 1cpg s THR 63 Ca 0.00 0.62 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 1cpg s THR 63 Cb 0.00 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.15 1cpg s THR 63 CO 0.00 -0.88 0.00 0.61 -0.54 0.00 0.00 174.62 173.81 1cpg n GLY 64 N -2.81 -0.09 0.00 3.99 0.00 -1.26 -1.58 105.19 103.44 1cpg n GLY 64 Ca 0.06 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1cpg n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cpg n GLY 65 N 0.00 -0.62 0.14 -0.02 0.00 -1.26 -4.66 105.19 98.76 1cpg n GLY 65 Ca 0.00 -1.72 0.13 0.00 0.00 0.00 0.00 46.02 44.43 1cpg n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1cpg h SER 66 N 0.00 0.00 -0.39 1.61 4.64 -1.74 -3.39 113.55 114.27 1cpg h SER 66 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 1cpg h SER 66 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.00 1cpg h SER 66 CO 0.00 0.00 -0.46 0.22 -0.87 0.00 0.00 176.83 175.72 1cpg h TYR 67 N 0.00 -1.37 0.00 4.77 3.20 -1.87 -3.05 116.97 118.66 1cpg h TYR 67 Ca 0.00 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1cpg h TYR 67 Cb 0.51 0.65 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1cpg h TYR 67 CO 0.00 -0.46 0.00 0.41 -1.64 0.00 0.00 178.16 176.47 1cpg n GLY 68 N -1.41 -0.82 2.57 1.82 0.00 -1.23 -2.14 105.19 103.98 1cpg n GLY 68 Ca -0.02 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 1cpg n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cpg n GLY 69 N 0.62 -0.50 0.30 -0.02 0.00 -1.15 -2.36 105.19 102.08 1cpg n GLY 69 Ca 0.19 0.02 0.20 0.00 0.00 0.00 0.00 46.02 46.43 1cpg n GLY 69 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1cpg h THR 70 N -0.18 0.00 -0.73 2.61 1.35 -1.87 -2.81 112.91 111.28 1cpg h THR 70 Ca -0.34 0.00 0.18 0.00 -0.55 0.00 0.00 66.41 65.70 1cpg h THR 70 Cb 1.25 0.87 -0.04 0.00 -1.73 0.00 0.00 68.15 68.50 1cpg h THR 70 CO 0.40 0.00 0.50 0.22 -0.25 0.00 0.00 175.52 176.39 1cpg h TYR 71 N 0.00 0.25 0.00 4.73 3.20 -1.93 0.54 116.97 123.76 1cpg h TYR 71 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1cpg h TYR 71 Cb 0.01 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.20 1cpg h TYR 71 CO 0.00 0.09 0.00 2.89 -1.64 0.00 0.00 178.16 179.50 1cpg n ARG 72 N -4.41 0.13 -3.42 1.82 1.85 -1.06 -3.26 116.66 108.31 1cpg n ARG 72 Ca 0.14 0.60 -0.29 0.00 -1.00 0.00 0.00 57.85 57.30 1cpg n ARG 72 Cb 0.66 -1.91 -0.03 0.00 -1.05 0.00 0.00 32.46 30.12 1cpg n ARG 72 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1cpg s PHE 73 N -3.47 3.47 0.14 2.89 0.08 0.18 -4.93 117.98 116.33 1cpg s PHE 73 Ca -0.01 0.62 -0.28 0.00 0.12 0.00 0.00 56.93 57.37 1cpg s PHE 73 Cb 0.06 -2.08 -0.04 0.00 -0.57 0.00 0.00 43.02 40.40 1cpg s PHE 73 CO 0.21 0.23 1.58 0.87 -0.10 0.00 0.00 175.22 178.01 1cpg h LYS 74 N 1.90 -0.43 -0.87 0.44 1.79 -1.86 0.07 116.57 117.60 1cpg h LYS 74 Ca -0.47 0.03 0.08 0.00 -2.18 0.00 0.00 60.65 58.10 1cpg h LYS 74 Cb 1.19 0.10 -0.11 0.00 -1.58 0.00 0.00 32.23 31.83 1cpg h LYS 74 CO 0.67 -0.29 -0.53 -0.22 -1.08 0.00 0.00 179.45 178.00 1cpg h LYS 75 N -0.44 -0.02 -0.42 3.15 3.64 -1.93 0.36 116.57 120.90 1cpg h LYS 75 Ca 0.09 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1cpg h LYS 75 Cb 0.61 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1cpg h LYS 75 CO -0.44 -0.01 -0.03 1.49 -2.27 0.00 0.00 179.45 178.18 1cpg h GLU 76 N -0.02 0.77 -0.72 1.90 4.81 -1.80 -2.95 114.58 116.57 1cpg h GLU 76 Ca 0.14 -0.26 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 1cpg h GLU 76 Cb 0.38 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 1cpg h GLU 76 CO -0.83 0.86 0.24 0.35 -0.73 0.00 0.00 179.01 178.90 1cpg h PHE 77 N 0.60 1.15 -0.19 0.92 3.04 -0.34 -2.45 116.94 119.67 1cpg h PHE 77 Ca 0.12 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1cpg h PHE 77 Cb 0.54 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 38.71 1cpg h PHE 77 CO 0.04 0.90 0.00 0.09 -2.02 0.00 0.00 178.31 177.32 1cpg n ASN 78 N -4.26 1.28 -4.71 0.41 3.02 0.12 -4.85 115.26 106.28 1cpg n ASN 78 Ca 0.06 -1.81 -0.42 0.00 -0.03 0.00 0.00 54.58 52.38 1cpg n ASN 78 Cb 0.22 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 1cpg n ASN 78 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1cpg s ASP 79 N -1.28 6.50 0.32 6.41 -1.08 -0.93 -4.85 116.67 121.76 1cpg s ASP 79 Ca 0.24 2.69 0.08 0.00 -0.52 0.00 0.00 52.55 55.03 1cpg s ASP 79 Cb 0.12 -2.58 0.80 0.00 -1.46 0.00 0.00 42.92 39.81 1cpg s ASP 79 CO 0.18 -0.92 1.77 -0.65 0.52 0.00 0.00 175.17 176.08 1cpg h PRO 80 N 7.53 0.68 0.00 4.34 0.11 -1.90 1.54 132.00 144.30 1cpg h PRO 80 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1cpg h PRO 80 Cb 1.21 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1cpg h PRO 80 CO 0.94 0.45 0.00 0.43 -0.21 0.00 0.00 178.00 179.60 1cpg n SER 81 N -4.76 0.00 -1.03 -2.05 7.64 -1.26 -2.09 113.62 110.07 1cpg n SER 81 Ca 0.24 -0.10 0.10 0.00 1.01 0.00 0.00 58.87 60.12 1cpg n SER 81 Cb 0.62 -0.22 0.22 0.00 -1.01 0.00 0.00 64.21 63.82 1cpg n SER 81 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1cpg n ASN 82 N -1.22 3.36 -4.65 6.43 3.02 0.53 -5.00 115.26 117.72 1cpg n ASN 82 Ca 0.09 -1.95 -0.53 0.00 -0.03 0.00 0.00 54.58 52.17 1cpg n ASN 82 Cb 0.12 -0.30 -0.06 0.00 -0.61 0.00 0.00 39.78 38.94 1cpg n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cpg n ALA 83 N 1.23 -0.14 0.00 5.41 0.00 -0.89 -1.04 120.51 125.09 1cpg n ALA 83 Ca 0.18 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1cpg n ALA 83 Cb 0.54 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1cpg n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cpg n GLY 84 N 3.46 3.17 0.23 0.00 0.00 -1.26 -4.86 105.19 105.93 1cpg n GLY 84 Ca 0.21 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.39 1cpg n GLY 84 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1cpg h LEU 85 N 0.00 0.00 -2.40 0.99 3.38 -1.47 -2.76 115.31 113.05 1cpg h LEU 85 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1cpg h LEU 85 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1cpg h LEU 85 CO 0.00 0.00 0.02 0.06 0.09 0.00 0.00 178.44 178.61 1cpg h GLN 86 N 0.00 0.00 -0.25 1.13 -0.00 -1.90 -0.74 115.11 113.35 1cpg h GLN 86 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.54 1cpg h GLN 86 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.74 1cpg h GLN 86 CO 0.00 0.00 -0.31 -0.91 -0.00 0.00 0.00 178.83 177.61 1cpg h ASN 87 N 0.00 0.52 0.93 0.06 2.35 -1.89 -0.79 115.58 116.77 1cpg h ASN 87 Ca 0.01 -0.20 -0.17 0.00 -0.55 0.00 0.00 56.30 55.39 1cpg h ASN 87 Cb 0.05 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1cpg h ASN 87 CO -0.00 0.81 -0.82 1.23 -1.65 0.00 0.00 177.43 176.99 1cpg h GLY 88 N 1.05 0.00 0.95 2.83 0.00 -1.36 -1.89 103.07 104.65 1cpg h GLY 88 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 1cpg h GLY 88 CO 0.06 0.00 -0.21 -2.75 0.00 0.00 0.00 176.54 173.64 1cpg h PHE 89 N 0.00 -0.55 -0.99 5.60 3.57 -0.93 -1.32 116.94 122.32 1cpg h PHE 89 Ca -0.01 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.57 1cpg h PHE 89 Cb 1.51 0.18 -0.07 0.00 2.79 0.00 0.00 35.95 40.36 1cpg h PHE 89 CO 0.00 -0.31 0.63 0.87 -2.23 0.00 0.00 178.31 177.27 1cpg h LYS 90 N -0.64 1.02 -0.96 1.11 1.57 -1.16 -0.01 116.57 117.49 1cpg h LYS 90 Ca -0.06 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1cpg h LYS 90 Cb 0.48 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 32.52 1cpg h LYS 90 CO 0.10 0.67 0.63 0.35 -0.57 0.00 0.00 179.45 180.63 1cpg h PHE 91 N 1.05 1.22 -0.12 -1.35 3.04 -0.87 -2.99 116.94 116.92 1cpg h PHE 91 Ca 0.46 0.02 -0.15 0.00 3.98 0.00 0.00 57.97 62.28 1cpg h PHE 91 Cb 0.35 -0.41 -0.01 0.00 2.56 0.00 0.00 35.95 38.44 1cpg h PHE 91 CO -0.00 0.78 -0.58 -0.07 -2.02 0.00 0.00 178.31 176.42 1cpg h LEU 92 N 1.31 0.44 -0.86 0.59 3.38 0.11 -3.37 115.31 116.92 1cpg h LEU 92 Ca 0.35 -0.24 0.13 0.00 0.09 0.00 0.00 57.88 58.21 1cpg h LEU 92 Cb -0.13 -0.13 -0.14 0.00 0.09 0.00 0.00 40.66 40.35 1cpg h LEU 92 CO -0.07 0.92 -0.34 1.21 0.09 0.00 0.00 178.44 180.24 1cpg n GLU 93 N -3.92 -0.21 0.21 1.13 2.13 -0.65 0.80 120.64 120.13 1cpg n GLU 93 Ca -0.03 1.32 0.06 0.00 0.66 0.00 0.00 57.16 59.17 1cpg n GLU 93 Cb 0.61 -1.96 0.53 0.00 0.27 0.00 0.00 31.44 30.88 1cpg n GLU 93 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1cpg h PRO 94 N 0.00 0.05 -0.47 5.31 0.13 -1.75 -2.20 132.00 133.07 1cpg h PRO 94 Ca 0.29 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.35 1cpg h PRO 94 Cb 0.51 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.61 1cpg h PRO 94 CO -0.85 0.16 0.03 0.82 -0.23 0.00 0.00 178.00 177.92 1cpg h ILE 95 N 0.04 1.26 -0.50 -3.56 2.04 0.18 -1.29 117.51 115.68 1cpg h ILE 95 Ca 0.01 -1.01 -0.04 0.00 1.00 0.00 0.00 64.86 64.83 1cpg h ILE 95 Cb 0.22 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1cpg h ILE 95 CO 0.01 0.35 0.16 -0.74 0.00 0.00 0.00 178.15 177.94 1cpg h HIS 96 N 0.67 0.74 -0.57 1.37 2.76 -0.72 -0.45 115.15 118.95 1cpg h HIS 96 Ca 0.14 -0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 58.19 1cpg h HIS 96 Cb 0.46 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.18 1cpg h HIS 96 CO 0.03 0.60 0.09 0.87 -1.30 0.00 0.00 177.93 178.23 1cpg h LYS 97 N 0.72 0.95 0.00 5.26 1.57 -1.04 -0.50 116.57 123.52 1cpg h LYS 97 Ca 0.17 -0.26 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 1cpg h LYS 97 Cb 0.20 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1cpg h LYS 97 CO -0.01 0.91 -0.41 1.49 -0.57 0.00 0.00 179.45 180.86 1cpg h GLU 98 N 0.85 0.00 -2.06 3.15 4.81 -0.54 -3.34 114.58 117.45 1cpg h GLU 98 Ca 0.17 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.84 1cpg h GLU 98 Cb 0.42 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.40 1cpg h GLU 98 CO 0.01 0.41 -0.96 1.19 -0.73 0.00 0.00 179.01 178.93 1cpg n PHE 99 N -4.01 0.89 0.26 0.92 3.01 -0.24 -4.97 117.46 113.32 1cpg n PHE 99 Ca -0.02 -3.75 0.17 0.00 1.01 0.00 0.00 57.45 54.86 1cpg n PHE 99 Cb 0.45 -0.42 0.91 0.00 -0.01 0.00 0.00 39.48 40.41 1cpg n PHE 99 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1cpg h PRO 100 N 3.94 0.00 -0.00 -1.08 0.14 -1.25 -2.63 132.00 131.13 1cpg h PRO 100 Ca 0.11 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.25 1cpg h PRO 100 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.96 1cpg h PRO 100 CO 0.58 0.00 -0.03 -2.67 0.14 0.00 0.00 178.00 176.02 1cpg n TRP 101 N -2.70 0.00 -2.81 1.56 4.27 -1.26 -4.83 117.44 111.67 1cpg n TRP 101 Ca -0.02 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.20 1cpg n TRP 101 Cb 0.08 -0.09 -0.06 0.00 -1.36 0.00 0.00 31.31 29.88 1cpg n TRP 101 CO 0.00 0.00 0.00 -1.50 -2.29 0.00 0.00 177.69 173.90 1cpg s ILE 102 N -2.20 4.17 0.69 -1.67 2.07 -0.99 -4.93 121.20 118.35 1cpg s ILE 102 Ca 0.39 1.94 -0.11 0.00 -1.41 0.00 0.00 60.65 61.46 1cpg s ILE 102 Cb 0.21 -4.22 0.01 0.00 0.13 0.00 0.00 42.46 38.59 1cpg s ILE 102 CO 0.40 0.43 1.07 -0.94 -1.91 0.00 0.00 174.94 173.99 1cpg s SER 103 N -1.27 5.51 0.12 4.50 1.04 -1.26 -4.89 113.70 117.44 1cpg s SER 103 Ca 0.42 1.38 -0.19 0.00 0.48 0.00 0.00 55.95 58.04 1cpg s SER 103 Cb -0.24 -2.27 -0.05 0.00 0.10 0.00 0.00 66.02 63.56 1cpg s SER 103 CO 0.29 -1.33 1.71 0.28 0.98 0.00 0.00 173.24 175.17 1cpg h SER 104 N -0.64 0.34 -0.79 7.02 0.02 -1.92 -1.96 113.55 115.62 1cpg h SER 104 Ca -0.45 -0.10 0.06 0.00 -0.84 0.00 0.00 61.79 60.46 1cpg h SER 104 Cb 1.22 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.63 1cpg h SER 104 CO 0.61 0.34 0.52 1.23 -1.14 0.00 0.00 176.83 178.38 1cpg h GLY 105 N 0.32 1.09 0.97 -3.77 0.00 -1.78 0.45 103.07 100.35 1cpg h GLY 105 Ca 0.09 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1cpg h GLY 105 CO -0.01 0.27 0.19 -0.55 0.00 0.00 0.00 176.54 176.43 1cpg h ASP 106 N 0.88 0.70 -0.17 0.19 3.32 -1.71 -2.46 116.42 117.18 1cpg h ASP 106 Ca 0.33 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 1cpg h ASP 106 Cb 0.20 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1cpg h ASP 106 CO -0.11 0.69 -0.05 0.25 -1.72 0.00 0.00 179.24 178.29 1cpg h LEU 107 N 0.67 0.34 -0.86 1.55 5.85 -0.62 0.75 115.31 123.00 1cpg h LEU 107 Ca 0.17 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1cpg h LEU 107 Cb 0.22 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1cpg h LEU 107 CO -0.01 0.65 0.56 -0.26 -0.34 0.00 0.00 178.44 179.04 1cpg h PHE 108 N 0.04 1.09 -0.02 1.25 0.04 -0.96 -1.45 116.94 116.93 1cpg h PHE 108 Ca 0.04 0.02 -0.19 0.00 2.80 0.00 0.00 57.97 60.64 1cpg h PHE 108 Cb 0.50 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 1cpg h PHE 108 CO 0.06 0.70 -0.81 0.66 -0.60 0.00 0.00 178.31 178.31 1cpg h SER 109 N 1.17 0.31 0.42 2.17 4.64 -1.40 -3.11 113.55 117.74 1cpg h SER 109 Ca 0.31 -0.23 -0.09 0.00 -0.47 0.00 0.00 61.79 61.32 1cpg h SER 109 Cb -0.12 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 1cpg h SER 109 CO -0.07 1.00 -0.41 0.25 -0.87 0.00 0.00 176.83 176.73 1cpg h LEU 110 N 0.15 0.00 -0.57 5.97 5.85 -0.33 -2.79 115.31 123.59 1cpg h LEU 110 Ca -0.04 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1cpg h LEU 110 Cb 1.41 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.40 1cpg h LEU 110 CO 0.13 0.41 0.32 1.23 -0.34 0.00 0.00 178.44 180.19 1cpg h GLY 111 N 1.25 0.82 1.00 3.75 0.00 -1.21 0.60 103.07 109.27 1cpg h GLY 111 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1cpg h GLY 111 CO 0.05 0.17 0.06 -1.33 0.00 0.00 0.00 176.54 175.49 1cpg h GLY 112 N 0.62 0.13 1.00 4.60 0.00 -1.52 0.17 103.07 108.07 1cpg h GLY 112 Ca 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 1cpg h GLY 112 CO -0.14 0.05 0.36 -2.08 0.00 0.00 0.00 176.54 174.73 1cpg h VAL 113 N 0.12 1.18 -0.46 4.60 2.07 -1.20 -1.01 116.25 121.55 1cpg h VAL 113 Ca 0.03 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1cpg h VAL 113 Cb -0.01 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1cpg h VAL 113 CO -0.01 0.19 0.25 0.74 0.02 0.00 0.00 177.57 178.77 1cpg h THR 114 N 0.82 1.16 0.09 2.57 2.02 -0.63 -1.40 112.91 117.53 1cpg h THR 114 Ca 0.22 -0.42 0.02 0.00 0.77 0.00 0.00 66.41 66.99 1cpg h THR 114 Cb -0.00 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 1cpg h THR 114 CO -0.04 0.17 -0.19 0.00 0.37 0.00 0.00 175.52 175.83 1cpg h ALA 115 N 1.10 -0.31 -0.18 6.16 0.00 -0.31 0.33 119.26 126.04 1cpg h ALA 115 Ca 0.16 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1cpg h ALA 115 Cb 0.05 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1cpg h ALA 115 CO -0.03 -0.71 0.01 0.28 0.00 0.00 0.00 179.25 178.80 1cpg h VAL 116 N -0.36 0.88 -0.59 0.00 2.07 -0.98 -2.13 116.25 115.14 1cpg h VAL 116 Ca 0.03 -0.02 -0.10 0.00 0.82 0.00 0.00 66.70 67.43 1cpg h VAL 116 Cb 0.39 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1cpg h VAL 116 CO -0.12 0.01 -0.04 1.56 0.02 0.00 0.00 177.57 179.01 1cpg h GLN 117 N 0.07 1.07 0.00 1.57 4.20 -1.07 0.18 115.11 121.13 1cpg h GLN 117 Ca 0.09 -0.36 -0.00 0.00 0.06 0.00 0.00 58.65 58.43 1cpg h GLN 117 Cb 0.10 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1cpg h GLN 117 CO -0.14 1.06 -0.02 0.93 -0.67 0.00 0.00 178.83 179.99 1cpg h GLU 118 N 0.97 0.00 -0.72 1.46 4.39 -0.12 -2.67 114.58 117.88 1cpg h GLU 118 Ca 0.16 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 1cpg h GLU 118 Cb 0.60 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1cpg h GLU 118 CO 0.04 0.02 0.02 -1.33 -1.16 0.00 0.00 179.01 176.60 1cpg n MET 119 N -3.13 3.65 -1.07 2.33 2.81 -0.82 -4.88 117.12 116.01 1cpg n MET 119 Ca 0.00 -2.20 -0.02 0.00 -1.81 0.00 0.00 57.70 53.67 1cpg n MET 119 Cb 0.29 -2.03 -0.01 0.00 -0.71 0.00 0.00 33.22 30.76 1cpg n MET 119 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1cpg n GLN 120 N 0.39 -0.63 0.00 0.03 6.02 -1.01 0.20 117.38 122.38 1cpg n GLN 120 Ca 0.20 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.55 1cpg n GLN 120 Cb 0.93 -3.96 0.00 0.00 1.02 0.00 0.00 30.24 28.23 1cpg n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cpg n GLY 121 N -1.78 -1.61 3.89 1.08 0.00 0.62 -4.75 105.19 102.65 1cpg n GLY 121 Ca -0.02 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.15 1cpg n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cpg s PRO 122 N -1.93 1.79 0.17 1.61 0.04 -1.26 -4.70 135.00 130.73 1cpg s PRO 122 Ca 0.00 0.09 -0.30 0.00 0.04 0.00 0.00 61.00 60.83 1cpg s PRO 122 Cb 0.00 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.53 1cpg s PRO 122 CO 0.00 -1.71 0.97 0.15 0.04 0.00 0.00 177.00 176.45 1cpg s LYS 123 N -5.57 4.75 -0.25 4.56 -0.14 -1.26 -4.32 119.74 117.50 1cpg s LYS 123 Ca 0.63 1.51 0.00 0.00 -1.36 0.00 0.00 55.97 56.75 1cpg s LYS 123 Cb -0.11 -3.32 0.04 0.00 -1.68 0.00 0.00 37.83 32.76 1cpg s LYS 123 CO 0.50 0.31 -0.09 0.42 -0.76 0.00 0.00 175.35 175.73 1cpg s ILE 124 N -0.52 2.55 0.35 2.17 -1.09 -1.26 -4.88 121.20 118.52 1cpg s ILE 124 Ca 0.45 -1.28 -0.28 0.00 -2.23 0.00 0.00 60.65 57.31 1cpg s ILE 124 Cb -0.25 -2.36 -0.11 0.00 -1.58 0.00 0.00 42.46 38.16 1cpg s ILE 124 CO 0.32 0.12 1.40 -2.84 -1.23 0.00 0.00 174.94 172.71 1cpg s PRO 125 N 1.23 4.23 0.03 2.79 0.02 -1.26 -4.77 135.00 137.27 1cpg s PRO 125 Ca -0.03 2.40 0.04 0.00 0.02 0.00 0.00 61.00 63.43 1cpg s PRO 125 Cb -0.18 -3.02 -0.02 0.00 0.02 0.00 0.00 34.50 31.30 1cpg s PRO 125 CO -0.05 -0.37 -0.12 -0.46 -0.33 0.00 0.00 177.00 175.67 1cpg s TRP 126 N -1.06 1.03 -0.06 6.54 -0.00 -0.09 -4.80 118.94 120.50 1cpg s TRP 126 Ca 0.51 -0.32 0.04 0.00 -0.00 0.00 0.00 56.10 56.34 1cpg s TRP 126 Cb -0.43 -0.62 -0.02 0.00 -0.00 0.00 0.00 33.47 32.39 1cpg s TRP 126 CO 0.57 0.00 -0.17 1.03 -0.00 0.00 0.00 176.95 178.39 1cpg s ARG 127 N -0.94 2.58 0.50 5.86 0.52 -1.26 -0.11 118.95 126.10 1cpg s ARG 127 Ca 0.00 -0.75 0.02 0.00 -0.52 0.00 0.00 55.73 54.49 1cpg s ARG 127 Cb -0.07 -2.35 0.02 0.00 0.52 0.00 0.00 34.95 33.08 1cpg s ARG 127 CO 0.01 0.53 0.70 0.00 0.02 0.00 0.00 175.30 176.56 1cpg n GLY 129 N -2.17 0.70 3.76 0.00 0.00 -1.26 -4.70 105.19 101.51 1cpg n GLY 129 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1cpg n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cpg s ARG 130 N 0.00 3.59 -0.07 1.61 0.52 -1.26 0.12 118.95 123.45 1cpg s ARG 130 Ca 0.00 1.95 0.03 0.00 -0.52 0.00 0.00 55.73 57.19 1cpg s ARG 130 Cb 0.00 -2.39 0.01 0.00 0.52 0.00 0.00 34.95 33.08 1cpg s ARG 130 CO 0.00 -0.74 -0.17 0.08 0.02 0.00 0.00 175.30 174.49 1cpg s VAL 131 N -1.44 1.47 0.26 3.52 1.01 -0.91 -4.71 120.40 119.59 1cpg s VAL 131 Ca 0.65 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 1cpg s VAL 131 Cb -0.33 -1.30 -0.11 0.00 0.00 0.00 0.00 36.38 34.64 1cpg s VAL 131 CO 0.40 0.43 1.54 -1.81 0.00 0.00 0.00 175.10 175.66 1cpg s ASP 132 N 0.47 6.50 0.26 3.32 1.11 -1.26 -3.49 116.67 123.59 1cpg s ASP 132 Ca -0.15 2.80 0.11 0.00 0.18 0.00 0.00 52.55 55.50 1cpg s ASP 132 Cb -0.16 -2.62 -0.05 0.00 1.07 0.00 0.00 42.92 41.16 1cpg s ASP 132 CO 0.05 -0.83 -0.20 0.42 1.18 0.00 0.00 175.17 175.80 1cpg s THR 133 N 0.18 2.35 0.92 -1.27 -4.23 -1.00 -4.98 115.64 107.61 1cpg s THR 133 Ca 0.63 -2.33 -0.10 0.00 -1.18 0.00 0.00 61.69 58.71 1cpg s THR 133 Cb -0.45 -2.23 0.15 0.00 1.34 0.00 0.00 72.50 71.30 1cpg s THR 133 CO 0.43 -0.39 1.13 -2.84 -0.54 0.00 0.00 174.62 172.42 1cpg s PRO 134 N -3.41 0.98 0.45 3.99 0.02 -1.26 -4.82 135.00 130.95 1cpg s PRO 134 Ca 0.28 1.45 0.27 0.00 0.02 0.00 0.00 61.00 63.02 1cpg s PRO 134 Cb -0.05 -1.73 1.32 0.00 0.02 0.00 0.00 34.50 34.07 1cpg s PRO 134 CO 0.13 -2.62 1.74 1.49 -0.33 0.00 0.00 177.00 177.41 1cpg h GLU 135 N -1.86 0.20 0.00 5.54 4.81 -1.99 -0.80 114.58 120.48 1cpg h GLU 135 Ca -0.45 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1cpg h GLU 135 Cb 1.27 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1cpg h GLU 135 CO 0.43 0.13 0.00 -0.40 -0.73 0.00 0.00 179.01 178.44 1cpg n ASP 136 N -4.48 0.00 -0.73 1.04 5.75 -1.26 -2.78 116.55 114.08 1cpg n ASP 136 Ca 0.29 0.30 0.10 0.00 -0.01 0.00 0.00 54.79 55.47 1cpg n ASP 136 Cb 1.14 -0.42 0.31 0.00 -1.03 0.00 0.00 41.12 41.12 1cpg n ASP 136 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1cpg n THR 137 N -1.42 0.32 -2.28 2.12 -2.24 -0.31 -4.87 114.28 105.60 1cpg n THR 137 Ca 0.08 -0.47 -0.43 0.00 -2.27 0.00 0.00 64.05 60.96 1cpg n THR 137 Cb 0.24 0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 68.97 1cpg n THR 137 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1cpg s THR 138 N -1.68 4.04 0.71 4.28 2.01 -1.12 -4.65 115.64 119.24 1cpg s THR 138 Ca 0.33 1.26 -0.15 0.00 0.31 0.00 0.00 61.69 63.44 1cpg s THR 138 Cb 0.18 -3.81 0.03 0.00 0.01 0.00 0.00 72.50 68.91 1cpg s THR 138 CO 0.27 -0.11 1.19 -2.16 -0.69 0.00 0.00 174.62 173.13 1cpg s PRO 139 N 3.64 2.26 0.83 4.92 0.05 -1.26 -4.99 135.00 140.46 1cpg s PRO 139 Ca 0.61 1.72 -0.12 0.00 0.05 0.00 0.00 61.00 63.26 1cpg s PRO 139 Cb -0.26 -1.85 0.09 0.00 0.05 0.00 0.00 34.50 32.53 1cpg s PRO 139 CO 0.20 -1.73 1.13 -0.51 0.05 0.00 0.00 177.00 176.14 1cpg s ASP 140 N -2.08 4.22 0.66 6.66 1.01 -1.26 -4.69 116.67 121.19 1cpg s ASP 140 Ca 0.74 1.03 -0.14 0.00 0.71 0.00 0.00 52.55 54.89 1cpg s ASP 140 Cb -0.28 -1.66 0.00 0.00 1.01 0.00 0.00 42.92 41.99 1cpg s ASP 140 CO 0.44 -2.11 1.09 0.20 0.21 0.00 0.00 175.17 175.00 1cpg s ASN 141 N -4.16 5.20 0.00 0.27 0.01 -1.26 -4.19 114.94 110.80 1cpg s ASN 141 Ca 0.62 1.89 0.00 0.00 -0.71 0.00 0.00 52.86 54.66 1cpg s ASN 141 Cb -0.13 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 38.99 1cpg s ASN 141 CO 0.52 -1.57 0.00 0.61 -1.51 0.00 0.00 177.10 175.16 1cpg n GLY 142 N -0.88 1.48 0.00 0.66 0.00 -1.26 -4.99 105.19 100.21 1cpg n GLY 142 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 1cpg n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cpg n ARG 143 N -0.25 0.01 -3.36 1.61 1.74 -1.26 -4.87 116.66 110.29 1cpg n ARG 143 Ca 0.00 0.01 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 1cpg n ARG 143 Cb 0.00 -1.51 -0.06 0.00 -1.02 0.00 0.00 32.46 29.87 1cpg n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1cpg s LEU 144 N -3.06 4.29 0.49 0.55 1.43 -1.26 -4.73 118.68 116.38 1cpg s LEU 144 Ca 0.12 1.06 -0.19 0.00 -1.03 0.00 0.00 54.13 54.09 1cpg s LEU 144 Cb 0.18 -3.40 -0.08 0.00 0.03 0.00 0.00 46.19 42.92 1cpg s LEU 144 CO 0.62 0.05 1.01 -2.16 0.23 0.00 0.00 176.35 176.10 1cpg s PRO 145 N -2.19 3.87 0.47 1.29 0.04 -1.26 -5.06 135.00 132.17 1cpg s PRO 145 Ca 0.41 1.22 -0.17 0.00 0.04 0.00 0.00 61.00 62.50 1cpg s PRO 145 Cb -0.14 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 32.20 1cpg s PRO 145 CO 0.20 -0.35 0.94 -0.51 0.04 0.00 0.00 177.00 177.31 1cpg s ASP 146 N -2.28 6.68 0.00 6.66 1.01 -1.26 -5.01 116.67 122.48 1cpg s ASP 146 Ca 0.64 1.52 0.22 0.00 0.71 0.00 0.00 52.55 55.65 1cpg s ASP 146 Cb -0.13 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 1cpg s ASP 146 CO 0.22 -0.49 1.02 0.00 0.21 0.00 0.00 175.17 176.13 1cpg n ALA 147 N -1.28 4.35 -0.51 5.23 0.00 -1.26 -4.44 120.51 122.59 1cpg n ALA 147 Ca 0.06 -0.53 -0.16 0.00 0.00 0.00 0.00 53.44 52.81 1cpg n ALA 147 Cb 0.54 -0.87 0.10 0.00 0.00 0.00 0.00 19.45 19.22 1cpg n ALA 147 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1cpg n ASP 148 N -1.54 4.08 -1.75 0.00 5.75 -1.26 -2.22 116.55 119.61 1cpg n ASP 148 Ca 0.04 -3.06 0.00 0.00 -0.01 0.00 0.00 54.79 51.76 1cpg n ASP 148 Cb 0.34 -0.77 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 1cpg n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1cpg n LYS 149 N -0.44 1.90 -3.59 0.11 4.01 -1.26 -4.95 118.16 113.94 1cpg n LYS 149 Ca 0.38 0.00 -0.19 0.00 -0.51 0.00 0.00 58.31 57.99 1cpg n LYS 149 Cb 1.12 0.00 -0.04 0.00 -0.51 0.00 0.00 35.03 35.60 1cpg n LYS 149 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1cpg n ASP 150 N -1.49 2.26 -0.21 4.39 5.75 -1.26 -3.43 116.55 122.57 1cpg n ASP 150 Ca 0.00 -2.36 0.20 0.00 -0.01 0.00 0.00 54.79 52.62 1cpg n ASP 150 Cb 0.00 0.36 0.54 0.00 -1.03 0.00 0.00 41.12 41.00 1cpg n ASP 150 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cpg h ALA 151 N 1.25 2.27 -0.52 2.12 0.00 -1.91 -2.05 119.26 120.43 1cpg h ALA 151 Ca -0.24 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1cpg h ALA 151 Cb 0.77 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1cpg h ALA 151 CO 0.39 -0.54 -0.16 0.78 0.00 0.00 0.00 179.25 179.72 1cpg h GLY 152 N 0.34 1.10 1.00 0.00 0.00 -1.96 -1.11 103.07 102.43 1cpg h GLY 152 Ca 0.44 -0.93 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 1cpg h GLY 152 CO -0.14 0.85 -0.30 -1.82 0.00 0.00 0.00 176.54 175.13 1cpg h TYR 153 N 0.89 -0.78 -0.75 5.60 3.20 -1.79 -0.17 116.97 123.16 1cpg h TYR 153 Ca 0.13 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.11 1cpg h TYR 153 Cb 0.73 0.26 -0.09 0.00 1.54 0.00 0.00 36.73 39.18 1cpg h TYR 153 CO 0.05 -0.48 0.32 0.28 -1.64 0.00 0.00 178.16 176.69 1cpg h VAL 154 N -0.83 0.71 0.13 1.81 2.07 -1.41 1.06 116.25 119.79 1cpg h VAL 154 Ca -0.08 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1cpg h VAL 154 Cb 0.64 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1cpg h VAL 154 CO 0.13 0.09 -0.06 -0.09 0.02 0.00 0.00 177.57 177.66 1cpg h ARG 155 N 0.49 -0.17 0.01 1.57 2.43 -0.97 0.49 114.38 118.23 1cpg h ARG 155 Ca 0.40 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.58 1cpg h ARG 155 Cb 0.57 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1cpg h ARG 155 CO -0.37 -0.08 -0.01 1.15 -1.51 0.00 0.00 179.97 179.15 1cpg h THR 156 N -0.22 1.09 0.21 0.20 2.02 -0.19 -2.52 112.91 113.52 1cpg h THR 156 Ca -0.02 -0.32 0.01 0.00 0.77 0.00 0.00 66.41 66.85 1cpg h THR 156 Cb 0.17 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 1cpg h THR 156 CO 0.03 0.08 -0.42 0.15 0.37 0.00 0.00 175.52 175.73 1cpg h PHE 157 N -0.15 -1.17 -0.01 3.16 3.57 0.13 -2.27 116.94 120.20 1cpg h PHE 157 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1cpg h PHE 157 Cb 0.15 0.49 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 1cpg h PHE 157 CO -0.03 -0.54 0.03 0.74 -2.23 0.00 0.00 178.31 176.28 1cpg h PHE 158 N -0.71 0.00 0.00 0.41 0.04 -0.86 -0.77 116.94 115.05 1cpg h PHE 158 Ca 0.00 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 1cpg h PHE 158 Cb 0.70 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.84 1cpg h PHE 158 CO -0.32 0.00 -0.29 1.96 -0.60 0.00 0.00 178.31 179.06 1cpg h GLN 159 N 0.00 0.00 0.00 1.51 1.08 -0.95 -1.39 115.11 115.36 1cpg h GLN 159 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1cpg h GLN 159 Cb 0.06 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1cpg h GLN 159 CO -0.00 0.29 -0.00 -0.09 -0.95 0.00 0.00 178.83 178.08 1cpg h ARG 160 N 0.00 0.00 -0.46 1.46 2.43 -1.17 0.24 114.38 116.88 1cpg h ARG 160 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1cpg h ARG 160 Cb 0.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1cpg h ARG 160 CO 0.04 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.78 1cpg n LEU 161 N -3.15 3.36 -1.50 3.80 4.77 -0.60 -2.13 117.00 121.56 1cpg n LEU 161 Ca -0.03 -2.08 -0.14 0.00 -0.03 0.00 0.00 56.01 53.73 1cpg n LEU 161 Cb 0.09 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 1cpg n LEU 161 CO 0.21 0.80 -0.17 0.59 -1.33 0.00 0.00 177.39 177.49 1cpg n ASN 162 N 0.80 -4.49 -4.61 -1.43 3.02 0.86 -4.99 115.26 104.42 1cpg n ASN 162 Ca 0.16 0.09 -0.34 0.00 -0.03 0.00 0.00 54.58 54.46 1cpg n ASN 162 Cb 0.53 -3.54 -0.11 0.00 -0.61 0.00 0.00 39.78 36.05 1cpg n ASN 162 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1cpg s MET 163 N -4.31 3.34 0.15 3.52 -1.94 -0.77 -5.02 119.30 114.27 1cpg s MET 163 Ca 0.00 -0.45 -0.01 0.00 -1.71 0.00 0.00 55.69 53.53 1cpg s MET 163 Cb 0.00 -2.88 0.03 0.00 2.01 0.00 0.00 34.83 33.99 1cpg s MET 163 CO 0.00 0.49 0.21 0.27 -0.01 0.00 0.00 175.02 175.97 1cpg n ASN 164 N 2.81 0.20 -0.08 3.03 0.23 -1.26 -4.19 115.26 116.00 1cpg n ASN 164 Ca -0.18 -1.19 -0.08 0.00 -0.53 0.00 0.00 54.58 52.61 1cpg n ASN 164 Cb 0.53 -0.14 -0.00 0.00 -2.08 0.00 0.00 39.78 38.09 1cpg n ASN 164 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1cpg h ASP 165 N -0.17 0.15 -0.43 0.53 3.32 -1.99 -2.03 116.42 115.81 1cpg h ASP 165 Ca -0.07 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.05 1cpg h ASP 165 Cb 0.23 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 1cpg h ASP 165 CO 0.07 0.12 0.20 -0.09 -1.72 0.00 0.00 179.24 177.82 1cpg h ARG 166 N 0.26 0.40 -0.77 3.56 2.43 -1.96 -1.68 114.38 116.63 1cpg h ARG 166 Ca 0.13 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1cpg h ARG 166 Cb 0.08 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 1cpg h ARG 166 CO -0.12 0.26 0.29 0.93 -1.51 0.00 0.00 179.97 179.82 1cpg h GLU 167 N 0.41 1.16 0.16 0.20 5.08 -1.87 -1.12 114.58 118.60 1cpg h GLU 167 Ca 0.19 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1cpg h GLU 167 Cb 0.11 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1cpg h GLU 167 CO -0.14 0.96 -0.10 0.28 -1.00 0.00 0.00 179.01 179.00 1cpg h VAL 168 N 1.12 0.78 -0.62 3.13 2.07 -1.14 0.74 116.25 122.32 1cpg h VAL 168 Ca 0.25 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.72 1cpg h VAL 168 Cb 0.24 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1cpg h VAL 168 CO -0.02 0.00 0.17 0.58 0.02 0.00 0.00 177.57 178.32 1cpg h VAL 169 N -0.26 1.25 -0.09 2.57 2.07 -1.21 0.29 116.25 120.86 1cpg h VAL 169 Ca -0.01 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1cpg h VAL 169 Cb 0.22 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1cpg h VAL 169 CO 0.01 0.34 0.06 0.00 0.02 0.00 0.00 177.57 178.00 1cpg h ALA 170 N 1.05 0.11 -0.93 1.67 0.00 -0.75 -2.63 119.26 117.79 1cpg h ALA 170 Ca 0.20 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1cpg h ALA 170 Cb 0.33 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1cpg h ALA 170 CO -0.00 -0.39 0.60 -0.07 0.00 0.00 0.00 179.25 179.39 1cpg h LEU 171 N 0.12 0.92 -1.85 0.00 3.38 0.82 -2.52 115.31 116.17 1cpg h LEU 171 Ca 0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1cpg h LEU 171 Cb -0.01 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1cpg h LEU 171 CO -0.01 0.58 0.00 -0.03 0.09 0.00 0.00 178.44 179.07 1cpg h MET 172 N 1.03 0.00 0.00 1.13 4.05 -0.56 -2.82 114.93 117.76 1cpg h MET 172 Ca 0.41 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.83 1cpg h MET 172 Cb 0.24 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 1cpg h MET 172 CO -0.16 0.00 0.01 0.78 0.23 0.00 0.00 176.91 177.77 1cpg h GLY 173 N 1.24 0.00 2.00 1.39 0.00 -1.42 0.18 103.07 106.47 1cpg h GLY 173 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1cpg h GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1cpg n ALA 174 N -1.99 1.42 0.47 3.60 0.00 -1.07 -1.68 120.51 121.26 1cpg n ALA 174 Ca -0.03 0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.54 1cpg n ALA 174 Cb 0.07 -1.27 0.30 0.00 0.00 0.00 0.00 19.45 18.55 1cpg n ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1cpg n HIS 175 N -1.93 0.03 0.22 0.00 8.25 0.63 -1.42 115.22 121.00 1cpg n HIS 175 Ca 0.01 0.01 0.06 0.00 -0.26 0.00 0.00 57.72 57.55 1cpg n HIS 175 Cb 0.13 -0.52 0.52 0.00 1.12 0.00 0.00 29.99 31.25 1cpg n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1cpg h ALA 176 N 2.46 1.52 -2.32 -1.41 0.00 -1.54 -3.42 119.26 114.56 1cpg h ALA 176 Ca 0.00 -0.19 -0.50 0.00 0.00 0.00 0.00 54.91 54.22 1cpg h ALA 176 Cb 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1cpg h ALA 176 CO 0.00 0.26 0.09 -0.51 0.00 0.00 0.00 179.25 179.10 1cpg s LEU 177 N -8.20 3.98 0.00 0.00 1.43 -0.51 -4.50 118.68 110.88 1cpg s LEU 177 Ca -0.03 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 1cpg s LEU 177 Cb 0.15 -4.04 0.00 0.00 0.03 0.00 0.00 46.19 42.33 1cpg s LEU 177 CO 0.68 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.59 1cpg n GLY 178 N -0.70 1.47 3.88 -3.19 0.00 -0.54 -4.94 105.19 101.16 1cpg n GLY 178 Ca 0.03 -0.60 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 1cpg n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cpg s LYS 179 N 0.00 1.14 0.22 1.61 -2.85 -1.26 -4.40 119.74 114.20 1cpg s LYS 179 Ca 0.00 -0.73 -0.04 0.00 -1.00 0.00 0.00 55.97 54.21 1cpg s LYS 179 Cb 0.00 0.32 -0.05 0.00 -2.06 0.00 0.00 37.83 36.04 1cpg s LYS 179 CO 0.00 -0.53 0.45 0.95 0.10 0.00 0.00 175.35 176.31 1cpg s THR 180 N -2.22 5.12 -0.10 3.79 -4.23 -0.60 -4.96 115.64 112.44 1cpg s THR 180 Ca 0.22 -0.08 -0.01 0.00 -1.18 0.00 0.00 61.69 60.64 1cpg s THR 180 Cb -0.02 -3.70 0.03 0.00 1.34 0.00 0.00 72.50 70.15 1cpg s THR 180 CO 0.04 -0.16 -0.03 -1.00 -0.54 0.00 0.00 174.62 172.92 1cpg s HIS 181 N -1.88 1.13 0.27 3.99 0.09 -0.90 -2.68 115.29 115.31 1cpg s HIS 181 Ca 0.41 -0.53 -0.04 0.00 -0.00 0.00 0.00 55.06 54.91 1cpg s HIS 181 Cb -0.11 -1.04 0.56 0.00 -0.00 0.00 0.00 32.58 31.98 1cpg s HIS 181 CO 0.28 -0.45 1.61 1.25 -0.00 0.00 0.00 174.74 177.43 1cpg h LEU 182 N 8.24 -0.43 -1.53 0.89 5.85 -0.62 0.47 115.31 128.18 1cpg h LEU 182 Ca -0.24 0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1cpg h LEU 182 Cb 1.13 0.41 -0.00 0.00 0.37 0.00 0.00 40.66 42.57 1cpg h LEU 182 CO 0.34 -0.25 -0.12 0.11 -0.34 0.00 0.00 178.44 178.18 1cpg h LYS 183 N 0.07 0.00 0.00 1.25 1.79 -1.96 -1.72 116.57 116.00 1cpg h LYS 183 Ca 0.49 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.94 1cpg h LYS 183 Cb 0.92 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1cpg h LYS 183 CO -0.79 0.12 -0.26 -0.91 -1.08 0.00 0.00 179.45 176.54 1cpg h ASN 184 N 0.00 0.00 -0.03 0.86 2.35 -0.41 -3.43 115.58 114.92 1cpg h ASN 184 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1cpg h ASN 184 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1cpg h ASN 184 CO 0.02 0.72 0.00 -1.54 -1.65 0.00 0.00 177.43 174.98 1cpg n SER 185 N -4.68 1.58 0.00 5.81 3.41 -0.88 -4.78 113.62 114.07 1cpg n SER 185 Ca -0.06 -1.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.20 1cpg n SER 185 Cb 0.20 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1cpg n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cpg n GLY 186 N 0.19 0.47 3.09 5.00 0.00 -0.64 -5.03 105.19 108.26 1cpg n GLY 186 Ca 0.03 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 1cpg n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cpg s TYR 187 N -2.00 0.76 -0.08 1.61 1.51 -1.26 -4.70 117.35 113.19 1cpg s TYR 187 Ca 0.00 -0.58 -0.04 0.00 -1.01 0.00 0.00 57.07 55.44 1cpg s TYR 187 Cb 0.00 -0.45 0.04 0.00 -0.11 0.00 0.00 41.96 41.44 1cpg s TYR 187 CO 0.00 -0.08 0.19 -2.00 -1.11 0.00 0.00 175.55 172.54 1cpg s GLU 188 N -2.08 0.14 0.00 -0.62 2.56 -1.26 0.18 118.70 117.62 1cpg s GLU 188 Ca -0.05 0.43 0.00 0.00 0.00 0.00 0.00 54.97 55.36 1cpg s GLU 188 Cb -0.07 -0.15 0.00 0.00 2.00 0.00 0.00 34.13 35.91 1cpg s GLU 188 CO -0.00 -0.16 0.00 0.41 -0.56 0.00 0.00 175.26 174.94 1cpg n GLY 189 N 4.19 3.58 3.92 -1.50 0.00 -1.09 -4.86 105.19 109.42 1cpg n GLY 189 Ca -0.26 -1.77 -0.27 0.00 0.00 0.00 0.00 46.02 43.72 1cpg n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cpg s PRO 190 N -3.42 2.42 0.00 1.61 0.04 -1.26 -1.55 135.00 132.83 1cpg s PRO 190 Ca 0.00 -0.04 0.22 0.00 0.04 0.00 0.00 61.00 61.22 1cpg s PRO 190 Cb 0.00 -2.14 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 1cpg s PRO 190 CO 0.00 -1.14 1.02 1.04 0.04 0.00 0.00 177.00 177.96 1cpg n GLN 191 N -2.92 0.75 -0.94 4.56 3.00 -1.26 -0.66 117.38 119.92 1cpg n GLN 191 Ca 0.07 -0.62 0.00 0.00 -0.01 0.00 0.00 57.00 56.44 1cpg n GLN 191 Cb 0.59 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.35 1cpg n GLN 191 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1cpg n GLY 192 N 1.45 0.63 0.13 1.08 0.00 -1.26 -4.77 105.19 102.45 1cpg n GLY 192 Ca 0.07 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 45.18 1cpg n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cpg n ALA 193 N -3.00 1.01 -2.65 4.61 0.00 -1.26 -4.61 120.51 114.61 1cpg n ALA 193 Ca 0.00 -0.72 -0.43 0.00 0.00 0.00 0.00 53.44 52.29 1cpg n ALA 193 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1cpg n ALA 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cpg n ALA 194 N -3.17 4.03 0.70 0.00 0.00 -1.26 -4.80 120.51 116.01 1cpg n ALA 194 Ca -0.36 -4.07 0.05 0.00 0.00 0.00 0.00 53.44 49.05 1cpg n ALA 194 Cb 0.98 -3.30 0.16 0.00 0.00 0.00 0.00 19.45 17.29 1cpg n ALA 194 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1cpg n ASN 195 N 6.55 2.20 -0.75 0.00 2.04 -1.26 -3.92 115.26 120.12 1cpg n ASN 195 Ca 0.43 -2.13 0.01 0.00 -0.44 0.00 0.00 54.58 52.45 1cpg n ASN 195 Cb 0.43 -0.33 0.00 0.00 -2.53 0.00 0.00 39.78 37.35 1cpg n ASN 195 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1cpg n ASN 196 N 0.42 0.19 -3.95 0.53 0.23 -1.26 -1.47 115.26 109.94 1cpg n ASN 196 Ca 0.12 -1.88 -0.18 0.00 -0.53 0.00 0.00 54.58 52.10 1cpg n ASN 196 Cb 0.40 -0.18 -0.15 0.00 -2.08 0.00 0.00 39.78 37.77 1cpg n ASN 196 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1cpg s VAL 197 N 0.00 0.55 -0.35 3.53 0.11 -1.25 -4.78 120.40 118.21 1cpg s VAL 197 Ca 0.08 -0.23 -0.27 0.00 -2.93 0.00 0.00 61.98 58.62 1cpg s VAL 197 Cb 0.09 -0.51 0.02 0.00 -1.53 0.00 0.00 36.38 34.45 1cpg s VAL 197 CO -0.04 0.19 1.00 0.12 -3.33 0.00 0.00 175.10 173.04 1cpg s PHE 198 N 0.26 3.10 0.17 1.54 2.19 0.13 -4.89 117.98 120.49 1cpg s PHE 198 Ca -0.03 0.98 -0.00 0.00 0.33 0.00 0.00 56.93 58.20 1cpg s PHE 198 Cb -0.08 -3.69 0.00 0.00 -1.31 0.00 0.00 43.02 37.95 1cpg s PHE 198 CO -0.00 -0.81 0.22 0.25 1.83 0.00 0.00 175.22 176.72 1cpg n THR 199 N 5.95 0.00 0.40 0.12 -2.24 -1.26 -4.55 114.28 112.69 1cpg n THR 199 Ca 0.10 -0.90 0.05 0.00 -2.27 0.00 0.00 64.05 61.03 1cpg n THR 199 Cb 0.48 0.54 0.20 0.00 -2.10 0.00 0.00 70.33 69.44 1cpg n THR 199 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1cpg n ASN 200 N -1.96 2.76 -0.34 3.42 2.04 -1.26 -4.52 115.26 115.39 1cpg n ASN 200 Ca 0.01 -2.22 0.24 0.00 -0.44 0.00 0.00 54.58 52.17 1cpg n ASN 200 Cb 0.28 -0.41 0.48 0.00 -2.53 0.00 0.00 39.78 37.60 1cpg n ASN 200 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 1cpg h GLU 201 N 2.26 0.34 -0.50 -3.83 4.81 -1.94 -2.17 114.58 113.56 1cpg h GLU 201 Ca 0.00 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.30 1cpg h GLU 201 Cb 0.87 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 30.09 1cpg h GLU 201 CO 0.12 0.23 0.03 0.35 -0.73 0.00 0.00 179.01 179.01 1cpg h PHE 202 N 0.35 0.03 -0.40 0.92 3.57 -1.85 0.53 116.94 120.09 1cpg h PHE 202 Ca 0.72 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 62.19 1cpg h PHE 202 Cb 1.67 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 40.45 1cpg h PHE 202 CO -0.01 -0.08 0.03 1.88 -2.23 0.00 0.00 178.31 177.91 1cpg h TYR 203 N 0.15 0.75 -0.10 0.41 0.05 -1.75 -1.73 116.97 114.75 1cpg h TYR 203 Ca 0.25 -0.12 0.02 0.00 0.05 0.00 0.00 58.73 58.93 1cpg h TYR 203 Cb 0.37 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 1cpg h TYR 203 CO -0.28 0.75 -0.03 -0.07 -1.05 0.00 0.00 178.16 177.47 1cpg h LEU 204 N 0.53 -0.10 -0.48 3.88 3.38 -1.36 0.15 115.31 121.31 1cpg h LEU 204 Ca 0.12 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1cpg h LEU 204 Cb 0.43 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1cpg h LEU 204 CO 0.01 -0.04 0.28 0.78 0.09 0.00 0.00 178.44 179.56 1cpg h ASN 205 N -0.00 0.59 -0.61 -0.43 4.21 -0.82 0.28 115.58 118.79 1cpg h ASN 205 Ca 0.05 -0.08 -0.01 0.00 1.21 0.00 0.00 56.30 57.47 1cpg h ASN 205 Cb 0.08 -0.15 -0.03 0.00 -1.12 0.00 0.00 38.32 37.10 1cpg h ASN 205 CO -0.11 0.49 0.34 0.25 -1.29 0.00 0.00 177.43 177.12 1cpg h LEU 206 N 0.64 0.76 -0.08 1.61 5.85 -0.99 -1.93 115.31 121.18 1cpg h LEU 206 Ca 0.17 -0.09 -0.21 0.00 0.84 0.00 0.00 57.88 58.59 1cpg h LEU 206 Cb 0.02 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1cpg h LEU 206 CO -0.03 0.63 -1.00 -0.07 -0.34 0.00 0.00 178.44 177.63 1cpg h LEU 207 N 0.83 0.11 0.00 2.25 3.38 -0.08 -3.39 115.31 118.40 1cpg h LEU 207 Ca 0.22 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1cpg h LEU 207 Cb 0.03 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1cpg h LEU 207 CO -0.04 1.04 -1.56 0.59 0.09 0.00 0.00 178.44 178.56 1cpg n ASN 208 N -3.46 0.57 -4.90 -0.43 5.03 0.93 -4.97 115.26 108.02 1cpg n ASN 208 Ca -0.02 0.24 -0.28 0.00 0.87 0.00 0.00 54.58 55.38 1cpg n ASN 208 Cb 0.91 0.74 0.05 0.00 -1.02 0.00 0.00 39.78 40.46 1cpg n ASN 208 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1cpg s GLU 209 N -3.11 2.60 -0.44 3.52 0.41 -0.74 -5.01 118.70 115.94 1cpg s GLU 209 Ca -0.04 0.18 -0.08 0.00 -0.41 0.00 0.00 54.97 54.62 1cpg s GLU 209 Cb 0.10 -2.09 0.10 0.00 -1.78 0.00 0.00 34.13 30.46 1cpg s GLU 209 CO 0.83 -1.10 0.28 0.34 -0.49 0.00 0.00 175.26 175.13 1cpg s ASP 210 N -4.41 5.60 0.27 -0.19 2.15 -1.26 -4.98 116.67 113.84 1cpg s ASP 210 Ca 0.58 -1.75 -0.22 0.00 0.43 0.00 0.00 52.55 51.59 1cpg s ASP 210 Cb -0.11 -1.97 -0.09 0.00 -0.30 0.00 0.00 42.92 40.45 1cpg s ASP 210 CO 0.49 -0.60 0.81 0.26 -0.17 0.00 0.00 175.17 175.96 1cpg s TRP 211 N 1.36 3.66 -0.14 -5.34 0.52 -1.26 -4.29 118.94 113.45 1cpg s TRP 211 Ca 0.05 1.54 0.01 0.00 0.02 0.00 0.00 56.10 57.72 1cpg s TRP 211 Cb -0.24 -2.74 0.02 0.00 -1.15 0.00 0.00 33.47 29.36 1cpg s TRP 211 CO -0.00 0.28 -0.15 0.15 0.02 0.00 0.00 176.95 177.25 1cpg s LYS 212 N -2.03 2.30 0.04 4.98 3.01 0.10 -4.92 119.74 123.22 1cpg s LYS 212 Ca 0.46 -0.56 -0.30 0.00 -1.01 0.00 0.00 55.97 54.55 1cpg s LYS 212 Cb -0.17 -2.06 -0.06 0.00 -1.01 0.00 0.00 37.83 34.53 1cpg s LYS 212 CO 0.22 -0.19 1.26 -1.17 0.51 0.00 0.00 175.35 175.98 1cpg s LEU 213 N 1.36 4.35 0.12 3.17 2.96 -1.26 -0.60 118.68 128.77 1cpg s LEU 213 Ca 0.02 2.04 -0.08 0.00 -0.22 0.00 0.00 54.13 55.90 1cpg s LEU 213 Cb -0.13 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 1cpg s LEU 213 CO -0.08 -0.56 0.21 -1.61 -1.32 0.00 0.00 176.35 172.99 1cpg s GLU 214 N 1.49 0.97 0.07 1.98 2.02 0.48 -4.95 118.70 120.75 1cpg s GLU 214 Ca 0.60 -1.09 -0.07 0.00 0.02 0.00 0.00 54.97 54.43 1cpg s GLU 214 Cb -0.30 0.35 -0.05 0.00 0.10 0.00 0.00 34.13 34.22 1cpg s GLU 214 CO 0.28 -0.32 0.35 0.15 0.02 0.00 0.00 175.26 175.73 1cpg s LYS 215 N -3.92 3.67 0.55 1.61 1.02 -1.26 -0.21 119.74 121.20 1cpg s LYS 215 Ca 0.11 0.02 0.07 0.00 0.02 0.00 0.00 55.97 56.19 1cpg s LYS 215 Cb 0.04 -2.98 0.07 0.00 -0.52 0.00 0.00 37.83 34.44 1cpg s LYS 215 CO -0.06 0.56 0.55 0.27 -0.92 0.00 0.00 175.35 175.75 1cpg n ASN 216 N 0.75 2.50 0.08 2.83 0.23 0.24 -4.90 115.26 116.98 1cpg n ASN 216 Ca -0.07 -2.74 0.06 0.00 -0.53 0.00 0.00 54.58 51.30 1cpg n ASN 216 Cb 0.52 -0.18 0.32 0.00 -2.08 0.00 0.00 39.78 38.36 1cpg n ASN 216 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1cpg n ASP 217 N -2.02 0.30 -1.09 0.53 8.00 -1.26 -0.33 116.55 120.68 1cpg n ASP 217 Ca 0.05 0.62 0.11 0.00 0.71 0.00 0.00 54.79 56.28 1cpg n ASP 217 Cb 0.61 -0.67 0.22 0.00 -0.02 0.00 0.00 41.12 41.26 1cpg n ASP 217 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cpg n ALA 218 N -1.64 2.38 -2.97 2.24 0.00 -1.26 -4.94 120.51 114.32 1cpg n ALA 218 Ca -0.00 -1.06 -0.12 0.00 0.00 0.00 0.00 53.44 52.26 1cpg n ALA 218 Cb 0.06 -0.79 0.04 0.00 0.00 0.00 0.00 19.45 18.75 1cpg n ALA 218 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1cpg n ASN 219 N 1.35 -4.22 -4.33 0.00 4.05 0.55 -5.03 115.26 107.62 1cpg n ASN 219 Ca 0.19 -0.25 -0.23 0.00 0.45 0.00 0.00 54.58 54.74 1cpg n ASN 219 Cb 0.57 -2.87 -0.11 0.00 1.23 0.00 0.00 39.78 38.59 1cpg n ASN 219 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1cpg s ASN 220 N -3.08 2.72 0.19 1.20 0.01 -1.25 -4.85 114.94 109.88 1cpg s ASN 220 Ca 0.27 -0.83 -0.13 0.00 -0.71 0.00 0.00 52.86 51.46 1cpg s ASN 220 Cb -0.12 -0.16 -0.07 0.00 0.41 0.00 0.00 41.25 41.31 1cpg s ASN 220 CO 0.33 -0.00 0.57 -1.61 -1.51 0.00 0.00 177.10 174.88 1cpg s GLU 221 N -2.61 3.92 0.08 -0.60 2.02 -1.26 0.79 118.70 121.04 1cpg s GLU 221 Ca 0.14 0.43 -0.22 0.00 0.02 0.00 0.00 54.97 55.35 1cpg s GLU 221 Cb -0.07 -2.79 0.05 0.00 0.10 0.00 0.00 34.13 31.42 1cpg s GLU 221 CO 0.06 0.40 0.52 1.14 0.02 0.00 0.00 175.26 177.40 1cpg s GLN 222 N -2.34 1.09 -0.37 1.61 -2.07 0.71 -4.64 119.66 113.65 1cpg s GLN 222 Ca 0.42 -0.34 -0.16 0.00 -1.82 0.00 0.00 55.36 53.46 1cpg s GLN 222 Cb -0.13 0.50 0.00 0.00 -1.09 0.00 0.00 33.01 32.29 1cpg s GLN 222 CO 0.20 -0.42 0.40 -1.58 -1.32 0.00 0.00 175.29 172.57 1cpg s TRP 223 N -2.89 3.19 -0.03 9.60 0.52 -1.03 -0.39 118.94 127.91 1cpg s TRP 223 Ca -0.03 -0.14 0.00 0.00 0.02 0.00 0.00 56.10 55.95 1cpg s TRP 223 Cb -0.00 -2.78 -0.03 0.00 -1.15 0.00 0.00 33.47 29.51 1cpg s TRP 223 CO -0.05 -0.54 0.00 -0.51 0.02 0.00 0.00 176.95 175.87 1cpg s ASP 224 N 1.76 5.16 0.30 2.95 1.01 0.23 -0.77 116.67 127.32 1cpg s ASP 224 Ca 0.12 0.05 0.10 0.00 0.71 0.00 0.00 52.55 53.53 1cpg s ASP 224 Cb -0.17 -1.38 -0.05 0.00 1.01 0.00 0.00 42.92 42.33 1cpg s ASP 224 CO 0.12 0.31 -0.04 -0.94 0.21 0.00 0.00 175.17 174.84 1cpg s SER 225 N -1.32 4.16 0.28 0.27 1.04 0.35 0.01 113.70 118.48 1cpg s SER 225 Ca 0.17 -0.90 -0.03 0.00 0.48 0.00 0.00 55.95 55.67 1cpg s SER 225 Cb -0.11 -0.57 0.38 0.00 0.10 0.00 0.00 66.02 65.81 1cpg s SER 225 CO 0.08 -0.11 1.92 0.07 0.98 0.00 0.00 173.24 176.18 1cpg h LYS 226 N 1.93 1.10 0.00 4.02 2.10 -1.87 -1.93 116.57 121.92 1cpg h LYS 226 Ca -0.43 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.12 1cpg h LYS 226 Cb 1.25 -0.23 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 1cpg h LYS 226 CO 0.63 0.78 0.05 0.43 -2.00 0.00 0.00 179.45 179.34 1cpg n SER 227 N -4.37 0.49 0.00 7.07 7.64 -1.26 -4.79 113.62 118.40 1cpg n SER 227 Ca 0.09 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.68 1cpg n SER 227 Cb 0.07 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 1cpg n SER 227 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cpg n GLY 228 N -1.30 0.98 3.96 0.23 0.00 -0.72 -5.10 105.19 103.23 1cpg n GLY 228 Ca -0.01 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 1cpg n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cpg s TYR 229 N -2.00 3.33 0.08 1.61 2.02 -1.25 -4.64 117.35 116.50 1cpg s TYR 229 Ca 0.00 0.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.85 1cpg s TYR 229 Cb 0.00 -2.00 -0.04 0.00 -0.40 0.00 0.00 41.96 39.52 1cpg s TYR 229 CO 0.00 -0.01 -0.06 0.00 -1.57 0.00 0.00 175.55 173.91 1cpg s MET 230 N -4.31 0.76 0.01 -0.62 0.23 0.16 -0.50 119.30 115.03 1cpg s MET 230 Ca 0.43 -1.25 0.02 0.00 -1.03 0.00 0.00 55.69 53.85 1cpg s MET 230 Cb -0.10 -0.14 -0.01 0.00 -1.53 0.00 0.00 34.83 33.05 1cpg s MET 230 CO 0.35 -0.03 -0.06 -1.64 -2.03 0.00 0.00 175.02 171.60 1cpg s MET 231 N -3.61 0.48 0.65 3.16 -1.94 0.05 -4.15 119.30 113.95 1cpg s MET 231 Ca 0.09 -0.37 -0.11 0.00 -1.71 0.00 0.00 55.69 53.59 1cpg s MET 231 Cb 0.04 -0.40 -0.01 0.00 2.01 0.00 0.00 34.83 36.47 1cpg s MET 231 CO -0.05 0.10 1.04 -0.51 -0.01 0.00 0.00 175.02 175.59 1cpg s LEU 232 N -0.58 3.10 0.23 -0.03 1.43 -1.26 -2.46 118.68 119.11 1cpg s LEU 232 Ca -0.01 1.22 -0.06 0.00 -1.03 0.00 0.00 54.13 54.24 1cpg s LEU 232 Cb -0.05 -4.14 0.35 0.00 0.03 0.00 0.00 46.19 42.39 1cpg s LEU 232 CO 0.00 -1.09 1.77 -0.65 0.23 0.00 0.00 176.35 176.62 1cpg h PRO 233 N -0.44 0.57 -0.36 1.29 0.11 -1.82 0.42 132.00 131.77 1cpg h PRO 233 Ca -0.45 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1cpg h PRO 233 Cb 1.22 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1cpg h PRO 233 CO 0.63 0.38 0.11 1.79 -0.21 0.00 0.00 178.00 180.69 1cpg h THR 234 N 0.59 1.16 -0.08 -1.15 1.35 -1.47 0.44 112.91 113.76 1cpg h THR 234 Ca 0.36 -0.55 -0.06 0.00 -0.55 0.00 0.00 66.41 65.62 1cpg h THR 234 Cb 0.40 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1cpg h THR 234 CO -0.28 0.20 -0.17 0.44 -0.25 0.00 0.00 175.52 175.46 1cpg h ASP 235 N 0.52 0.28 -0.99 5.36 3.32 -0.72 -3.13 116.42 121.05 1cpg h ASP 235 Ca 0.12 -0.57 0.10 0.00 0.02 0.00 0.00 57.03 56.70 1cpg h ASP 235 Cb 0.17 -0.08 -0.08 0.00 0.22 0.00 0.00 39.33 39.56 1cpg h ASP 235 CO -0.01 0.80 0.63 0.22 -1.72 0.00 0.00 179.24 179.17 1cpg h TYR 236 N -0.23 1.15 -0.74 4.55 3.20 0.11 -1.77 116.97 123.23 1cpg h TYR 236 Ca 0.00 0.03 0.21 0.00 3.14 0.00 0.00 58.73 62.12 1cpg h TYR 236 Cb 0.76 -0.37 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 1cpg h TYR 236 CO 0.11 0.51 0.72 0.66 -1.64 0.00 0.00 178.16 178.53 1cpg h SER 237 N 1.05 0.00 0.37 -2.11 4.64 -0.07 -0.82 113.55 116.61 1cpg h SER 237 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1cpg h SER 237 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1cpg h SER 237 CO -0.22 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.92 1cpg n LEU 238 N -3.70 0.33 -0.01 5.97 4.77 -0.67 -2.03 117.00 121.67 1cpg n LEU 238 Ca 0.15 0.61 0.09 0.00 -0.03 0.00 0.00 56.01 56.83 1cpg n LEU 238 Cb 0.98 -0.60 -0.13 0.00 -2.33 0.00 0.00 43.42 41.35 1cpg n LEU 238 CO 0.29 -0.55 -0.56 2.30 -1.33 0.00 0.00 177.39 177.54 1cpg n ILE 239 N -1.90 0.00 0.04 -0.08 -5.35 -0.32 -1.60 119.36 110.16 1cpg n ILE 239 Ca 0.01 -0.33 -0.19 0.00 -0.27 0.00 0.00 62.75 61.97 1cpg n ILE 239 Cb 0.13 0.30 -0.13 0.00 -1.74 0.00 0.00 39.64 38.20 1cpg n ILE 239 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1cpg h GLN 240 N 0.00 0.40 -6.45 6.28 4.20 -1.43 -3.45 115.11 114.66 1cpg h GLN 240 Ca 0.00 -0.53 -0.53 0.00 0.06 0.00 0.00 58.65 57.64 1cpg h GLN 240 Cb 0.71 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 1cpg h GLN 240 CO 0.00 1.20 0.38 0.34 -0.67 0.00 0.00 178.83 180.08 1cpg s ASP 241 N -6.95 7.38 0.26 1.46 -1.08 -0.97 -4.95 116.67 111.82 1cpg s ASP 241 Ca -0.13 1.72 -0.04 0.00 -0.52 0.00 0.00 52.55 53.58 1cpg s ASP 241 Cb 0.03 -2.58 0.33 0.00 -1.46 0.00 0.00 42.92 39.24 1cpg s ASP 241 CO 0.84 -0.23 1.90 -0.65 0.52 0.00 0.00 175.17 177.56 1cpg h PRO 242 N 6.49 1.21 -0.21 4.34 0.11 -1.91 -0.83 132.00 141.20 1cpg h PRO 242 Ca -0.42 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 1cpg h PRO 242 Cb 1.22 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1cpg h PRO 242 CO 0.75 0.80 -0.48 0.87 -0.21 0.00 0.00 178.00 179.73 1cpg h LYS 243 N 1.25 0.69 -0.24 1.05 1.57 -1.94 -3.10 116.57 115.86 1cpg h LYS 243 Ca 0.40 -0.47 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1cpg h LYS 243 Cb 0.02 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1cpg h LYS 243 CO -0.13 1.09 0.04 1.88 -0.57 0.00 0.00 179.45 181.76 1cpg h TYR 244 N 0.40 0.42 -0.95 -1.35 0.05 -1.75 -3.20 116.97 110.60 1cpg h TYR 244 Ca -0.00 -0.06 0.16 0.00 0.05 0.00 0.00 58.73 58.88 1cpg h TYR 244 Cb 1.09 -0.11 -0.08 0.00 1.01 0.00 0.00 36.73 38.64 1cpg h TYR 244 CO 0.09 0.51 0.60 1.25 -1.05 0.00 0.00 178.16 179.56 1cpg h LEU 245 N 0.20 0.71 -0.87 3.88 7.12 -0.15 0.41 115.31 126.61 1cpg h LEU 245 Ca 0.07 0.06 -0.12 0.00 0.13 0.00 0.00 57.88 58.02 1cpg h LEU 245 Cb 0.32 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.35 1cpg h LEU 245 CO 0.00 0.33 -0.52 0.77 -0.13 0.00 0.00 178.44 178.89 1cpg h SER 246 N 0.74 0.11 -0.15 1.25 4.64 -1.53 -0.75 113.55 117.86 1cpg h SER 246 Ca 0.49 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.70 1cpg h SER 246 Cb 0.78 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1cpg h SER 246 CO -0.26 0.62 -0.13 0.40 -0.87 0.00 0.00 176.83 176.59 1cpg h ILE 247 N 0.08 1.34 -0.40 0.95 2.04 -1.10 -1.54 117.51 118.88 1cpg h ILE 247 Ca -0.00 -1.26 0.08 0.00 1.00 0.00 0.00 64.86 64.68 1cpg h ILE 247 Cb 0.96 1.84 -0.07 0.00 -0.74 0.00 0.00 36.82 38.80 1cpg h ILE 247 CO 0.07 0.37 -0.06 0.58 0.00 0.00 0.00 178.15 179.11 1cpg h VAL 248 N -0.01 0.64 -0.96 1.67 2.07 -0.85 0.11 116.25 118.92 1cpg h VAL 248 Ca 0.03 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.63 1cpg h VAL 248 Cb 0.64 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 1cpg h VAL 248 CO 0.03 0.01 0.62 0.11 0.02 0.00 0.00 177.57 178.36 1cpg h LYS 249 N 0.04 0.98 -0.56 1.57 1.57 -0.97 0.14 116.57 119.34 1cpg h LYS 249 Ca 0.19 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1cpg h LYS 249 Cb 0.29 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1cpg h LYS 249 CO -0.38 0.65 0.29 1.49 -0.57 0.00 0.00 179.45 180.93 1cpg h GLU 250 N 1.01 0.80 -0.02 3.15 4.81 0.24 -2.57 114.58 122.00 1cpg h GLU 250 Ca 0.45 -0.11 -0.14 0.00 -0.13 0.00 0.00 59.36 59.43 1cpg h GLU 250 Cb 0.36 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1cpg h GLU 250 CO -0.20 0.63 -0.62 1.88 -0.73 0.00 0.00 179.01 179.97 1cpg h TYR 251 N 0.76 0.09 0.00 0.92 0.05 -0.65 -1.66 116.97 116.48 1cpg h TYR 251 Ca 0.20 -0.04 -0.07 0.00 0.05 0.00 0.00 58.73 58.87 1cpg h TYR 251 Cb 0.08 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 1cpg h TYR 251 CO -0.01 0.67 -0.31 0.00 -1.05 0.00 0.00 178.16 177.46 1cpg h ALA 252 N 1.32 1.26 0.00 3.88 0.00 -0.74 -3.06 119.26 121.93 1cpg h ALA 252 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1cpg h ALA 252 Cb 1.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1cpg h ALA 252 CO 0.09 0.39 -1.12 0.09 0.00 0.00 0.00 179.25 178.69 1cpg n ASN 253 N -3.85 0.66 -3.34 0.00 4.13 -0.99 -4.79 115.26 107.09 1cpg n ASN 253 Ca -0.01 -0.51 -0.13 0.00 1.68 0.00 0.00 54.58 55.61 1cpg n ASN 253 Cb 0.39 1.02 -0.07 0.00 -1.54 0.00 0.00 39.78 39.59 1cpg n ASN 253 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1cpg s ASP 254 N -3.56 0.77 0.36 6.41 2.15 -0.65 -4.97 116.67 117.18 1cpg s ASP 254 Ca 0.04 -1.14 0.09 0.00 0.43 0.00 0.00 52.55 51.97 1cpg s ASP 254 Cb 0.15 0.82 0.82 0.00 -0.30 0.00 0.00 42.92 44.41 1cpg s ASP 254 CO 0.84 -0.29 1.89 -0.61 -0.17 0.00 0.00 175.17 176.84 1cpg h GLN 255 N 7.44 0.66 -0.45 4.34 4.15 -1.86 -2.00 115.11 127.40 1cpg h GLN 255 Ca -0.00 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 1cpg h GLN 255 Cb 1.09 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.61 1cpg h GLN 255 CO 0.22 0.44 0.12 -0.44 -1.93 0.00 0.00 178.83 177.24 1cpg h ASP 256 N 0.68 0.68 -0.75 -0.69 3.32 -1.93 -0.10 116.42 117.63 1cpg h ASP 256 Ca 0.41 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1cpg h ASP 256 Cb 0.63 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 1cpg h ASP 256 CO -0.17 0.73 0.49 0.50 -1.72 0.00 0.00 179.24 179.06 1cpg h LYS 257 N 0.60 0.99 -0.42 3.56 1.63 -1.76 -1.21 116.57 119.97 1cpg h LYS 257 Ca 0.14 -0.07 0.05 0.00 -0.85 0.00 0.00 60.65 59.92 1cpg h LYS 257 Cb 0.31 -0.22 -0.05 0.00 -0.60 0.00 0.00 32.23 31.68 1cpg h LYS 257 CO 0.00 0.67 0.15 0.35 -3.45 0.00 0.00 179.45 177.17 1cpg h PHE 258 N 1.02 0.27 -0.47 1.91 3.57 -0.90 -0.64 116.94 121.70 1cpg h PHE 258 Ca 0.27 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 1cpg h PHE 258 Cb -0.10 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 1cpg h PHE 258 CO -0.02 0.11 0.20 0.74 -2.23 0.00 0.00 178.31 177.11 1cpg h PHE 259 N 0.32 0.71 -0.14 0.41 -1.00 -0.54 0.11 116.94 116.81 1cpg h PHE 259 Ca 0.19 -0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.91 1cpg h PHE 259 Cb 0.17 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 1cpg h PHE 259 CO -0.15 0.59 0.04 0.87 -1.61 0.00 0.00 178.31 178.05 1cpg h LYS 260 N 0.62 0.21 -0.84 1.51 1.57 -0.93 -1.51 116.57 117.20 1cpg h LYS 260 Ca 0.16 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1cpg h LYS 260 Cb 0.17 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 1cpg h LYS 260 CO -0.01 0.35 0.47 -0.44 -0.57 0.00 0.00 179.45 179.24 1cpg h ASP 261 N 0.03 1.04 -0.31 0.86 3.32 -1.01 -2.21 116.42 118.15 1cpg h ASP 261 Ca 0.04 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1cpg h ASP 261 Cb 0.23 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1cpg h ASP 261 CO -0.00 0.83 0.06 0.15 -1.72 0.00 0.00 179.24 178.56 1cpg h PHE 262 N 1.17 0.53 0.19 4.55 3.57 -0.65 -2.08 116.94 124.23 1cpg h PHE 262 Ca 0.30 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.73 1cpg h PHE 262 Cb 0.01 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 1cpg h PHE 262 CO 0.01 0.57 -0.49 1.03 -2.23 0.00 0.00 178.31 177.20 1cpg h SER 263 N 0.34 -1.46 -0.95 0.41 0.87 -1.06 0.25 113.55 111.95 1cpg h SER 263 Ca 0.10 0.15 0.11 0.00 -1.23 0.00 0.00 61.79 60.91 1cpg h SER 263 Cb 0.32 0.53 -0.08 0.00 -0.44 0.00 0.00 62.40 62.73 1cpg h SER 263 CO 0.00 -0.55 0.58 0.11 -0.53 0.00 0.00 176.83 176.45 1cpg h LYS 264 N -0.76 0.92 -0.17 2.24 1.57 -1.38 -2.08 116.57 116.92 1cpg h LYS 264 Ca -0.02 -0.06 -0.20 0.00 -1.87 0.00 0.00 60.65 58.50 1cpg h LYS 264 Cb 0.74 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1cpg h LYS 264 CO -0.23 0.61 -0.70 0.00 -0.57 0.00 0.00 179.45 178.56 1cpg h ALA 265 N 1.50 0.43 -0.48 3.86 0.00 -0.92 -2.09 119.26 121.56 1cpg h ALA 265 Ca 0.46 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1cpg h ALA 265 Cb 0.41 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1cpg h ALA 265 CO -0.25 0.70 0.07 0.35 0.00 0.00 0.00 179.25 180.12 1cpg h PHE 266 N 0.51 0.86 -0.36 0.00 3.57 -0.25 0.37 116.94 121.63 1cpg h PHE 266 Ca -0.03 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 1cpg h PHE 266 Cb 1.31 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 1cpg h PHE 266 CO 0.07 0.80 0.17 1.49 -2.23 0.00 0.00 178.31 178.61 1cpg h GLU 267 N 0.68 0.53 -0.71 1.11 4.81 -1.39 -0.27 114.58 119.33 1cpg h GLU 267 Ca 0.15 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1cpg h GLU 267 Cb 0.41 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 1cpg h GLU 267 CO 0.01 0.49 0.42 -0.22 -0.73 0.00 0.00 179.01 178.98 1cpg h LYS 268 N 0.45 0.77 -0.58 1.92 3.64 -1.06 0.62 116.57 122.33 1cpg h LYS 268 Ca 0.12 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1cpg h LYS 268 Cb 0.14 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1cpg h LYS 268 CO -0.01 0.51 0.38 1.25 -2.27 0.00 0.00 179.45 179.31 1cpg h LEU 269 N 0.79 0.66 -0.50 5.20 5.85 0.21 -0.47 115.31 127.05 1cpg h LEU 269 Ca 0.30 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1cpg h LEU 269 Cb 0.12 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1cpg h LEU 269 CO -0.15 0.48 0.00 -0.07 -0.34 0.00 0.00 178.44 178.36 1cpg h LEU 270 N 0.78 0.00 -1.20 2.25 3.38 -0.17 -3.15 115.31 117.21 1cpg h LEU 270 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1cpg h LEU 270 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1cpg h LEU 270 CO -0.05 0.00 -0.32 -0.62 0.09 0.00 0.00 178.44 177.54 1cpg n GLU 271 N -2.52 1.54 -1.73 1.13 1.02 0.13 -4.69 120.64 115.52 1cpg n GLU 271 Ca 0.03 -1.17 -0.42 0.00 -0.02 0.00 0.00 57.16 55.58 1cpg n GLU 271 Cb 0.35 -1.41 -0.02 0.00 -0.02 0.00 0.00 31.44 30.34 1cpg n GLU 271 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1cpg n ASN 272 N 0.29 3.61 0.00 1.62 3.02 -0.24 -1.86 115.26 121.70 1cpg n ASN 272 Ca 0.10 1.16 0.00 0.00 -0.03 0.00 0.00 54.58 55.80 1cpg n ASN 272 Cb 0.46 -1.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.07 1cpg n ASN 272 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cpg n GLY 273 N 1.96 0.81 3.45 7.41 0.00 -1.26 -4.55 105.19 113.01 1cpg n GLY 273 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1cpg n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cpg s ILE 274 N -3.16 3.36 -0.38 -0.61 1.01 -0.78 -4.33 121.20 116.32 1cpg s ILE 274 Ca 0.00 -0.57 -0.15 0.00 0.00 0.00 0.00 60.65 59.93 1cpg s ILE 274 Cb 0.00 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 40.06 1cpg s ILE 274 CO 0.00 0.54 0.34 -0.89 0.00 0.00 0.00 174.94 174.93 1cpg s THR 275 N 0.02 5.19 -0.42 2.92 2.01 0.13 -4.96 115.64 120.53 1cpg s THR 275 Ca -0.03 -0.26 -0.21 0.00 0.31 0.00 0.00 61.69 61.50 1cpg s THR 275 Cb -0.14 -3.88 0.02 0.00 0.01 0.00 0.00 72.50 68.51 1cpg s THR 275 CO 0.04 -0.21 0.68 -0.36 -0.69 0.00 0.00 174.62 174.07 1cpg s PHE 276 N 1.92 3.07 1.19 4.92 0.08 -1.26 -1.49 117.98 126.40 1cpg s PHE 276 Ca 0.09 0.09 -0.13 0.00 0.12 0.00 0.00 56.93 57.10 1cpg s PHE 276 Cb -0.17 -3.38 0.30 0.00 -0.57 0.00 0.00 43.02 39.19 1cpg s PHE 276 CO 0.12 -0.85 1.02 -2.14 -0.10 0.00 0.00 175.22 173.27 1cpg s PRO 277 N 2.91 -1.12 0.24 0.24 0.02 -1.26 -4.89 135.00 131.14 1cpg s PRO 277 Ca 0.25 0.76 -0.07 0.00 0.02 0.00 0.00 61.00 61.96 1cpg s PRO 277 Cb -0.14 -1.54 0.26 0.00 0.02 0.00 0.00 34.50 33.10 1cpg s PRO 277 CO 0.19 -3.84 1.90 -0.22 -0.33 0.00 0.00 177.00 174.70 1cpg h LYS 278 N -2.70 1.18 -0.05 5.54 3.64 -2.00 -2.64 116.57 119.54 1cpg h LYS 278 Ca -0.62 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.69 1cpg h LYS 278 Cb 1.34 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1cpg h LYS 278 CO 0.50 0.78 0.00 -0.40 -2.27 0.00 0.00 179.45 178.06 1cpg n ASP 279 N -4.47 1.06 -4.73 4.20 5.75 -1.26 -4.92 116.55 112.19 1cpg n ASP 279 Ca 0.11 -1.44 -0.39 0.00 -0.01 0.00 0.00 54.79 53.06 1cpg n ASP 279 Cb 0.05 -0.03 0.04 0.00 -1.03 0.00 0.00 41.12 40.15 1cpg n ASP 279 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cpg n ALA 280 N -0.14 1.46 -1.16 2.12 0.00 -1.00 -4.94 120.51 116.86 1cpg n ALA 280 Ca 0.19 0.15 -0.31 0.00 0.00 0.00 0.00 53.44 53.47 1cpg n ALA 280 Cb 0.27 -2.33 0.11 0.00 0.00 0.00 0.00 19.45 17.50 1cpg n ALA 280 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1cpg s PRO 281 N -2.74 1.97 1.03 0.00 0.04 -1.26 -4.97 135.00 129.08 1cpg s PRO 281 Ca 0.69 1.20 -0.12 0.00 0.04 0.00 0.00 61.00 62.82 1cpg s PRO 281 Cb -0.43 -1.86 0.21 0.00 0.04 0.00 0.00 34.50 32.45 1cpg s PRO 281 CO 0.51 -1.86 1.07 -1.12 0.04 0.00 0.00 177.00 175.65 1cpg s SER 282 N -3.28 2.20 0.39 6.66 0.01 -1.26 -4.94 113.70 113.48 1cpg s SER 282 Ca 0.62 1.42 -0.26 0.00 1.31 0.00 0.00 55.95 59.04 1cpg s SER 282 Cb -0.18 -2.11 -0.09 0.00 0.21 0.00 0.00 66.02 63.85 1cpg s SER 282 CO 0.56 -3.43 1.17 -2.84 0.41 0.00 0.00 173.24 169.12 1cpg s PRO 283 N -4.76 4.10 0.06 12.44 0.02 -1.26 -4.93 135.00 140.66 1cpg s PRO 283 Ca 0.66 1.85 -0.11 0.00 0.02 0.00 0.00 61.00 63.43 1cpg s PRO 283 Cb -0.21 -2.72 -0.06 0.00 0.02 0.00 0.00 34.50 31.53 1cpg s PRO 283 CO 0.60 -0.28 0.40 -0.06 -0.33 0.00 0.00 177.00 177.33 1cpg s PHE 284 N -1.39 3.61 -0.33 6.54 0.08 0.84 -4.79 117.98 122.55 1cpg s PHE 284 Ca 0.56 0.83 -0.03 0.00 0.12 0.00 0.00 56.93 58.41 1cpg s PHE 284 Cb -0.31 -2.19 0.06 0.00 -0.57 0.00 0.00 43.02 40.02 1cpg s PHE 284 CO 0.39 0.55 0.06 0.42 -0.10 0.00 0.00 175.22 176.54 1cpg s ILE 285 N -1.33 3.17 0.45 0.64 1.09 -1.26 -0.91 121.20 123.04 1cpg s ILE 285 Ca 0.31 -1.52 -0.21 0.00 -1.10 0.00 0.00 60.65 58.13 1cpg s ILE 285 Cb -0.14 -2.91 -0.10 0.00 -1.06 0.00 0.00 42.46 38.25 1cpg s ILE 285 CO 0.17 -0.26 0.98 -0.36 -0.10 0.00 0.00 174.94 175.37 1cpg s PHE 286 N 1.24 3.21 0.37 3.97 0.08 -1.26 -5.04 117.98 120.55 1cpg s PHE 286 Ca -0.01 1.60 -0.24 0.00 0.12 0.00 0.00 56.93 58.40 1cpg s PHE 286 Cb -0.20 -2.93 -0.10 0.00 -0.57 0.00 0.00 43.02 39.22 1cpg s PHE 286 CO -0.01 -0.35 0.96 0.15 -0.10 0.00 0.00 175.22 175.87 1cpg s LYS 287 N -3.17 4.40 0.74 0.44 -0.14 -1.26 -5.02 119.74 115.73 1cpg s LYS 287 Ca 0.64 1.30 -0.07 0.00 -1.36 0.00 0.00 55.97 56.47 1cpg s LYS 287 Cb -0.12 -2.57 0.08 0.00 -1.68 0.00 0.00 37.83 33.54 1cpg s LYS 287 CO 0.16 0.11 1.05 0.95 -0.76 0.00 0.00 175.35 176.86 1cpg s THR 288 N -1.79 2.22 0.21 2.17 -4.23 -1.26 -4.89 115.64 108.06 1cpg s THR 288 Ca 0.55 -0.24 -0.09 0.00 -1.18 0.00 0.00 61.69 60.72 1cpg s THR 288 Cb -0.16 -2.97 0.14 0.00 1.34 0.00 0.00 72.50 70.85 1cpg s THR 288 CO 0.21 0.00 1.77 -0.07 -0.54 0.00 0.00 174.62 175.99 1cpg h LEU 289 N -0.72 0.37 -1.33 4.79 3.38 -1.97 -0.89 115.31 118.93 1cpg h LEU 289 Ca -0.44 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 1cpg h LEU 289 Cb 1.31 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1cpg h LEU 289 CO 0.58 0.22 -0.06 -0.08 0.09 0.00 0.00 178.44 179.19 1cpg h GLU 290 N 0.52 0.37 0.00 1.13 4.81 -1.92 -0.33 114.58 119.17 1cpg h GLU 290 Ca 0.30 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1cpg h GLU 290 Cb 0.30 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1cpg h GLU 290 CO -0.25 0.45 0.00 0.93 -0.73 0.00 0.00 179.01 179.41 1cpg h GLU 291 N 0.35 0.00 -0.26 1.92 5.08 -1.53 -1.56 114.58 118.58 1cpg h GLU 291 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1cpg h GLU 291 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1cpg h GLU 291 CO 0.02 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.07 1cpg n GLN 292 N -2.99 2.37 -2.02 2.33 6.02 -0.26 -4.92 117.38 117.90 1cpg n GLN 292 Ca 0.01 -2.13 -0.13 0.00 -0.01 0.00 0.00 57.00 54.74 1cpg n GLN 292 Cb 0.31 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 30.07 1cpg n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cpg n GLY 293 N 1.39 0.23 0.69 1.08 0.00 -0.45 -5.07 105.19 103.05 1cpg n GLY 293 Ca 0.17 -0.37 0.09 0.00 0.00 0.00 0.00 46.02 45.91 1cpg n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36