#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cey n ASP 2 N 0.00 0.00 -3.90 0.00 -0.08 -1.22 -5.01 116.55 106.34 2cey n ASP 2 Ca 0.00 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 53.01 2cey n ASP 2 Cb 0.00 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.29 2cey n ASP 2 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 2cey s TYR 3 N 0.00 1.56 -0.50 -0.67 2.02 0.22 -5.01 117.35 114.97 2cey s TYR 3 Ca 0.00 -0.87 -0.15 0.00 -0.37 0.00 0.00 57.07 55.68 2cey s TYR 3 Cb 0.00 -1.26 0.10 0.00 -0.40 0.00 0.00 41.96 40.39 2cey s TYR 3 CO 0.00 -0.55 0.43 -0.51 -1.57 0.00 0.00 175.55 173.35 2cey s ASP 4 N 1.68 6.13 0.24 2.29 1.01 -1.26 -1.49 116.67 125.26 2cey s ASP 4 Ca 0.03 -1.55 0.08 0.00 0.71 0.00 0.00 52.55 51.82 2cey s ASP 4 Cb -0.14 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 2cey s ASP 4 CO -0.08 -0.73 0.10 -0.76 0.21 0.00 0.00 175.17 173.90 2cey s LEU 5 N 1.60 3.54 -0.05 1.23 1.43 0.61 -4.99 118.68 122.04 2cey s LEU 5 Ca 0.04 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 2cey s LEU 5 Cb -0.27 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 43.87 2cey s LEU 5 CO 0.05 0.00 -0.12 -0.54 0.23 0.00 0.00 176.35 175.97 2cey s LYS 6 N -3.58 1.53 -0.26 1.70 1.02 -1.26 0.32 119.74 119.21 2cey s LYS 6 Ca 0.31 -0.40 0.02 0.00 0.02 0.00 0.00 55.97 55.92 2cey s LYS 6 Cb -0.08 -1.30 0.07 0.00 -0.52 0.00 0.00 37.83 36.00 2cey s LYS 6 CO 0.22 0.07 -0.06 0.12 -0.92 0.00 0.00 175.35 174.78 2cey s PHE 7 N 0.51 2.95 -0.01 3.18 5.99 0.19 -1.27 117.98 129.52 2cey s PHE 7 Ca -0.11 -2.19 -0.08 0.00 0.00 0.00 0.00 56.93 54.55 2cey s PHE 7 Cb -0.14 -1.94 -0.05 0.00 0.00 0.00 0.00 43.02 40.89 2cey s PHE 7 CO 0.03 -0.85 0.28 0.20 -0.00 0.00 0.00 175.22 174.87 2cey s GLY 8 N 1.20 2.27 0.03 13.12 0.00 -0.38 -0.59 107.32 122.98 2cey s GLY 8 Ca -0.04 -0.52 -0.09 0.00 0.00 0.00 0.00 44.72 44.07 2cey s GLY 8 CO -0.07 -0.30 0.18 -3.16 0.00 0.00 0.00 173.10 169.75 2cey s MET 9 N -1.57 0.65 0.24 2.90 0.23 -0.62 -3.67 119.30 117.47 2cey s MET 9 Ca 0.25 -0.60 -0.04 0.00 -1.03 0.00 0.00 55.69 54.27 2cey s MET 9 Cb -0.13 0.27 0.26 0.00 -1.53 0.00 0.00 34.83 33.69 2cey s MET 9 CO 0.14 -0.18 1.73 -0.91 -2.03 0.00 0.00 175.02 173.77 2cey h ASN 10 N 3.61 0.85 -4.09 -1.18 2.35 -1.88 0.46 115.58 115.69 2cey h ASN 10 Ca -0.32 -0.21 -0.55 0.00 -0.55 0.00 0.00 56.30 54.67 2cey h ASN 10 Cb 1.19 -0.23 0.14 0.00 0.05 0.00 0.00 38.32 39.48 2cey h ASN 10 CO 0.47 0.90 0.54 0.00 -1.65 0.00 0.00 177.43 177.69 2cey s ALA 11 N -5.02 2.54 0.75 -0.83 0.00 -1.26 -3.22 121.76 114.72 2cey s ALA 11 Ca -0.10 1.21 -0.08 0.00 0.00 0.00 0.00 51.96 52.99 2cey s ALA 11 Cb 0.14 -3.54 0.09 0.00 0.00 0.00 0.00 23.12 19.81 2cey s ALA 11 CO 0.82 -1.45 1.07 0.20 0.00 0.00 0.00 175.76 176.41 2cey s GLY 12 N -1.30 1.69 0.18 0.00 0.00 -1.26 -0.52 107.32 106.12 2cey s GLY 12 Ca 0.78 -1.00 0.22 0.00 0.00 0.00 0.00 44.72 44.72 2cey s GLY 12 CO 0.41 -0.52 1.66 -1.30 0.00 0.00 0.00 173.10 173.35 2cey n THR 13 N -3.07 0.83 1.24 0.90 -2.24 -1.26 -1.91 114.28 108.77 2cey n THR 13 Ca 0.10 0.19 0.13 0.00 -2.27 0.00 0.00 64.05 62.19 2cey n THR 13 Cb 0.60 -1.06 0.30 0.00 -2.10 0.00 0.00 70.33 68.07 2cey n THR 13 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2cey n SER 14 N -2.03 1.82 -4.82 3.42 3.41 -1.26 -4.76 113.62 109.39 2cey n SER 14 Ca 0.03 -1.47 -0.32 0.00 -0.26 0.00 0.00 58.87 56.85 2cey n SER 14 Cb 0.23 0.11 0.02 0.00 -0.26 0.00 0.00 64.21 64.31 2cey n SER 14 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cey s SER 15 N -2.21 5.81 0.24 4.04 1.04 -0.80 -4.96 113.70 116.85 2cey s SER 15 Ca 0.29 1.68 -0.05 0.00 0.48 0.00 0.00 55.95 58.34 2cey s SER 15 Cb 0.20 -2.51 0.34 0.00 0.10 0.00 0.00 66.02 64.15 2cey s SER 15 CO 0.41 -1.15 1.83 0.78 0.98 0.00 0.00 173.24 176.09 2cey h ASN 16 N 0.04 0.75 -0.58 7.02 2.35 -1.94 -2.15 115.58 121.07 2cey h ASN 16 Ca -0.46 0.03 0.05 0.00 -0.55 0.00 0.00 56.30 55.37 2cey h ASN 16 Cb 1.21 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 39.41 2cey h ASN 16 CO 0.58 0.46 0.31 -0.33 -1.65 0.00 0.00 177.43 176.81 2cey h GLU 17 N 0.87 0.58 -0.46 0.81 3.07 -1.93 -0.92 114.58 116.61 2cey h GLU 17 Ca 0.37 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 59.15 2cey h GLU 17 Cb 0.24 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 2cey h GLU 17 CO -0.20 0.39 0.09 -0.92 -1.40 0.00 0.00 179.01 176.97 2cey h TYR 18 N 0.60 0.79 -0.89 4.33 3.20 -1.75 -0.29 116.97 122.96 2cey h TYR 18 Ca 0.25 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 2cey h TYR 18 Cb 0.13 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 2cey h TYR 18 CO -0.09 0.73 0.50 -0.22 -1.64 0.00 0.00 178.16 177.45 2cey h LYS 19 N 0.62 1.23 -0.10 1.82 3.64 -0.89 -0.44 116.57 122.45 2cey h LYS 19 Ca 0.14 -0.14 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 2cey h LYS 19 Cb 0.35 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2cey h LYS 19 CO 0.01 0.89 -0.76 0.00 -2.27 0.00 0.00 179.45 177.31 2cey h ALA 20 N 1.31 0.47 -0.19 5.00 0.00 -1.06 -1.91 119.26 122.88 2cey h ALA 20 Ca 0.32 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 2cey h ALA 20 Cb 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2cey h ALA 20 CO -0.05 0.74 -0.10 0.00 0.00 0.00 0.00 179.25 179.83 2cey h ALA 21 N 0.78 1.47 -0.17 0.00 0.00 -0.43 -0.55 119.26 120.36 2cey h ALA 21 Ca -0.04 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 2cey h ALA 21 Cb 1.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2cey h ALA 21 CO 0.14 0.37 -0.52 0.93 0.00 0.00 0.00 179.25 180.17 2cey h GLU 22 N 0.29 0.47 -0.32 0.00 5.08 -0.87 -1.59 114.58 117.64 2cey h GLU 22 Ca 0.06 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 2cey h GLU 22 Cb 0.37 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2cey h GLU 22 CO 0.02 0.88 0.03 1.98 -1.00 0.00 0.00 179.01 180.92 2cey h MET 23 N 0.37 0.54 -0.04 2.33 4.05 -0.63 -1.59 114.93 119.96 2cey h MET 23 Ca 0.01 -0.15 0.02 0.00 -0.28 0.00 0.00 59.70 59.30 2cey h MET 23 Cb 1.04 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.76 2cey h MET 23 CO 0.09 0.64 -0.08 0.35 0.23 0.00 0.00 176.91 178.14 2cey h PHE 24 N 0.35 -0.21 -0.49 1.39 3.57 -1.01 -0.61 116.94 119.94 2cey h PHE 24 Ca 0.09 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.62 2cey h PHE 24 Cb 0.38 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 2cey h PHE 24 CO 0.03 -0.13 0.30 0.00 -2.23 0.00 0.00 178.31 176.28 2cey h ALA 25 N 0.89 0.62 -0.63 2.41 0.00 -1.14 -0.77 119.26 120.64 2cey h ALA 25 Ca 0.05 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2cey h ALA 25 Cb 0.19 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2cey h ALA 25 CO -0.12 0.02 0.13 0.87 0.00 0.00 0.00 179.25 180.15 2cey h LYS 26 N 0.61 1.02 -0.25 0.00 6.56 -1.08 -1.04 116.57 122.40 2cey h LYS 26 Ca 0.19 -0.26 -0.05 0.00 -1.06 0.00 0.00 60.65 59.47 2cey h LYS 26 Cb -0.02 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 31.50 2cey h LYS 26 CO -0.07 0.94 -0.03 1.49 -2.06 0.00 0.00 179.45 179.72 2cey h GLU 27 N 0.94 0.46 -0.63 3.15 4.81 -0.72 -1.82 114.58 120.77 2cey h GLU 27 Ca 0.19 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2cey h GLU 27 Cb 0.40 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 2cey h GLU 27 CO 0.01 0.66 0.40 0.28 -0.73 0.00 0.00 179.01 179.63 2cey h VAL 28 N 0.22 1.11 -0.53 0.32 2.07 -0.87 -0.48 116.25 118.08 2cey h VAL 28 Ca 0.07 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 2cey h VAL 28 Cb 0.48 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2cey h VAL 28 CO 0.02 0.15 0.31 0.50 0.02 0.00 0.00 177.57 178.56 2cey h LYS 29 N 0.80 0.73 -0.17 1.57 3.64 -1.09 -0.62 116.57 121.43 2cey h LYS 29 Ca 0.24 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2cey h LYS 29 Cb -0.03 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 2cey h LYS 29 CO -0.08 0.54 0.01 1.49 -2.27 0.00 0.00 179.45 179.15 2cey h GLU 30 N 0.71 0.29 0.00 1.90 4.57 -1.01 0.17 114.58 121.21 2cey h GLU 30 Ca 0.19 -0.09 -0.07 0.00 -1.18 0.00 0.00 59.36 58.21 2cey h GLU 30 Cb 0.01 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 2cey h GLU 30 CO -0.03 0.49 -0.32 0.87 -1.18 0.00 0.00 179.01 178.83 2cey h LYS 31 N 0.06 0.00 -0.01 1.92 1.79 -1.05 -2.57 116.57 116.71 2cey h LYS 31 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2cey h LYS 31 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2cey h LYS 31 CO 0.01 0.32 0.00 -1.13 -1.08 0.00 0.00 179.45 177.57 2cey n SER 32 N -3.19 0.13 -3.97 0.86 3.41 -0.25 -4.90 113.62 105.72 2cey n SER 32 Ca 0.03 -1.36 -0.30 0.00 -0.26 0.00 0.00 58.87 56.97 2cey n SER 32 Cb 0.66 -0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.61 2cey n SER 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cey n GLN 33 N -0.74 -4.68 -0.96 4.33 3.00 -0.97 -1.79 117.38 115.58 2cey n GLN 33 Ca 0.16 0.53 0.00 0.00 -0.01 0.00 0.00 57.00 57.68 2cey n GLN 33 Cb 0.09 -5.26 0.00 0.00 0.00 0.00 0.00 30.24 25.07 2cey n GLN 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2cey n GLY 34 N -1.64 0.87 0.17 1.08 0.00 0.58 -4.89 105.19 101.36 2cey n GLY 34 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.00 2cey n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cey h LYS 35 N 2.59 0.01 -5.29 1.61 1.57 -1.58 -3.43 116.57 112.06 2cey h LYS 35 Ca 0.00 -0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 2cey h LYS 35 Cb 0.00 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.00 2cey h LYS 35 CO 0.00 0.47 -0.82 0.42 -0.57 0.00 0.00 179.45 178.95 2cey s ILE 36 N -3.98 2.51 -0.12 1.86 1.01 -1.26 -0.61 121.20 120.62 2cey s ILE 36 Ca -0.02 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.80 2cey s ILE 36 Cb 0.14 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.60 2cey s ILE 36 CO 0.74 0.54 -0.17 -0.70 0.00 0.00 0.00 174.94 175.35 2cey s GLU 37 N 0.50 2.41 -0.26 2.79 2.12 -0.56 -3.65 118.70 122.05 2cey s GLU 37 Ca -0.12 -0.63 -0.07 0.00 0.36 0.00 0.00 54.97 54.51 2cey s GLU 37 Cb -0.16 -2.02 -0.02 0.00 0.26 0.00 0.00 34.13 32.19 2cey s GLU 37 CO 0.05 -0.05 0.06 0.42 -0.54 0.00 0.00 175.26 175.20 2cey s ILE 38 N 0.95 4.14 0.07 -3.70 1.01 -1.26 -0.29 121.20 122.13 2cey s ILE 38 Ca -0.06 -0.35 -0.09 0.00 0.00 0.00 0.00 60.65 60.15 2cey s ILE 38 Cb -0.15 -2.99 -0.06 0.00 0.01 0.00 0.00 42.46 39.28 2cey s ILE 38 CO -0.02 0.27 0.38 -0.94 0.00 0.00 0.00 174.94 174.63 2cey s SER 39 N 1.57 6.60 -0.11 3.58 1.04 0.15 -4.92 113.70 121.61 2cey s SER 39 Ca 0.05 0.73 -0.04 0.00 0.48 0.00 0.00 55.95 57.18 2cey s SER 39 Cb -0.16 -2.15 -0.03 0.00 0.10 0.00 0.00 66.02 63.78 2cey s SER 39 CO 0.03 0.17 0.03 -0.76 0.98 0.00 0.00 173.24 173.69 2cey s LEU 40 N -1.97 3.74 -0.55 2.42 1.43 -1.26 -0.64 118.68 121.85 2cey s LEU 40 Ca 0.33 0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.65 2cey s LEU 40 Cb -0.14 -1.88 0.16 0.00 0.03 0.00 0.00 46.19 44.37 2cey s LEU 40 CO 0.18 0.35 0.40 -0.31 0.23 0.00 0.00 176.35 177.20 2cey s TYR 41 N -0.69 2.37 0.97 0.29 2.02 0.24 -4.93 117.35 117.62 2cey s TYR 41 Ca 0.11 -2.81 -0.15 0.00 -0.37 0.00 0.00 57.07 53.85 2cey s TYR 41 Cb -0.12 -1.89 0.18 0.00 -0.40 0.00 0.00 41.96 39.74 2cey s TYR 41 CO 0.02 -0.69 1.24 -1.25 -1.57 0.00 0.00 175.55 173.30 2cey s PRO 42 N -0.60 0.65 -1.28 -1.71 0.04 -1.26 -1.58 135.00 129.25 2cey s PRO 42 Ca 0.27 -0.18 -0.06 0.00 0.04 0.00 0.00 61.00 61.07 2cey s PRO 42 Cb -0.04 -1.82 0.04 0.00 0.04 0.00 0.00 34.50 32.72 2cey s PRO 42 CO -0.15 -2.45 0.38 0.43 0.04 0.00 0.00 177.00 175.25 2cey n SER 43 N -3.84 -4.22 -2.21 6.66 7.64 0.32 -1.98 113.62 115.98 2cey n SER 43 Ca 0.13 -0.22 -0.19 0.00 1.01 0.00 0.00 58.87 59.60 2cey n SER 43 Cb 0.60 -3.49 -0.01 0.00 -1.01 0.00 0.00 64.21 60.30 2cey n SER 43 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2cey n SER 44 N -2.21 -5.51 0.05 6.43 7.64 0.09 -4.87 113.62 115.25 2cey n SER 44 Ca -0.07 -0.04 0.19 0.00 1.01 0.00 0.00 58.87 59.96 2cey n SER 44 Cb 0.57 -4.54 0.70 0.00 -1.01 0.00 0.00 64.21 59.94 2cey n SER 44 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2cey h GLN 45 N -0.09 0.00 -0.01 1.43 4.20 -1.59 -1.89 115.11 117.16 2cey h GLN 45 Ca -0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.26 2cey h GLN 45 Cb 1.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.11 2cey h GLN 45 CO 0.53 0.00 -0.47 1.28 -0.67 0.00 0.00 178.83 179.50 2cey n LEU 46 N -4.30 1.78 0.00 1.46 4.77 -1.26 -5.08 117.00 114.36 2cey n LEU 46 Ca 0.08 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 2cey n LEU 46 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2cey n LEU 46 CO 0.35 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 2cey n GLY 47 N 1.33 0.93 3.80 -0.72 0.00 -0.71 -4.80 105.19 105.02 2cey n GLY 47 Ca 0.08 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 2cey n GLY 47 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2cey s ASP 48 N -1.20 2.66 0.28 1.61 -4.77 -1.26 -4.42 116.67 109.57 2cey s ASP 48 Ca 0.00 0.55 -0.03 0.00 -3.30 0.00 0.00 52.55 49.77 2cey s ASP 48 Cb 0.00 -0.78 0.37 0.00 -1.09 0.00 0.00 42.92 41.42 2cey s ASP 48 CO 0.00 -3.04 1.87 -2.24 0.70 0.00 0.00 175.17 172.46 2cey h ASP 49 N -1.84 0.90 -0.50 2.11 2.03 -1.97 0.94 116.42 118.07 2cey h ASP 49 Ca -0.46 -0.10 0.03 0.00 -0.73 0.00 0.00 57.03 55.77 2cey h ASP 49 Cb 1.28 -0.23 -0.04 0.00 -0.83 0.00 0.00 39.33 39.51 2cey h ASP 49 CO 0.44 0.77 0.28 0.03 -1.03 0.00 0.00 179.24 179.73 2cey h ARG 50 N 0.98 0.53 -0.45 4.15 3.08 -1.98 0.61 114.38 121.29 2cey h ARG 50 Ca 0.24 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.13 2cey h ARG 50 Cb 0.13 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2cey h ARG 50 CO -0.03 0.35 -0.20 0.00 -1.07 0.00 0.00 179.97 179.02 2cey h ALA 51 N 1.25 0.79 -0.05 0.04 0.00 -1.78 -2.03 119.26 117.49 2cey h ALA 51 Ca 0.21 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 2cey h ALA 51 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2cey h ALA 51 CO -0.13 0.66 -0.61 0.52 0.00 0.00 0.00 179.25 179.69 2cey h MET 52 N 0.78 0.18 -0.47 0.00 2.86 -0.46 -1.13 114.93 116.68 2cey h MET 52 Ca 0.11 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 2cey h MET 52 Cb 0.75 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.41 2cey h MET 52 CO 0.06 0.73 0.10 -0.07 1.06 0.00 0.00 176.91 178.79 2cey h LEU 53 N 0.13 0.73 -1.23 1.22 3.38 -0.76 -1.21 115.31 117.56 2cey h LEU 53 Ca -0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 2cey h LEU 53 Cb 1.11 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 2cey h LEU 53 CO 0.09 0.79 0.26 0.11 0.09 0.00 0.00 178.44 179.78 2cey h LYS 54 N 0.64 0.79 -0.41 1.13 1.57 -1.12 -2.15 116.57 117.03 2cey h LYS 54 Ca 0.15 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 2cey h LYS 54 Cb 0.36 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2cey h LYS 54 CO 0.01 0.62 -0.16 1.96 -0.57 0.00 0.00 179.45 181.31 2cey h GLN 55 N 0.79 0.76 -0.83 3.15 4.20 -0.93 -1.92 115.11 120.34 2cey h GLN 55 Ca 0.20 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 2cey h GLN 55 Cb 0.10 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 2cey h GLN 55 CO -0.02 0.88 0.49 -0.07 -0.67 0.00 0.00 178.83 179.43 2cey h LEU 56 N 0.68 1.01 -0.19 1.46 4.07 -0.97 0.11 115.31 121.48 2cey h LEU 56 Ca 0.11 -0.06 -0.06 0.00 0.08 0.00 0.00 57.88 57.95 2cey h LEU 56 Cb 0.65 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 42.13 2cey h LEU 56 CO 0.05 0.78 -0.10 0.50 -1.08 0.00 0.00 178.44 178.58 2cey h LYS 57 N 1.15 0.40 0.00 1.13 3.64 -1.02 -2.60 116.57 119.27 2cey h LYS 57 Ca 0.30 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2cey h LYS 57 Cb -0.03 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2cey h LYS 57 CO -0.05 0.71 -0.09 -0.40 -2.27 0.00 0.00 179.45 177.35 2cey n ASP 58 N -4.57 0.52 0.00 4.20 3.85 -0.75 -4.83 116.55 114.96 2cey n ASP 58 Ca -0.05 0.46 0.00 0.00 -0.71 0.00 0.00 54.79 54.49 2cey n ASP 58 Cb 0.33 -0.54 0.00 0.00 -1.35 0.00 0.00 41.12 39.55 2cey n ASP 58 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2cey n GLY 59 N 1.39 0.59 0.04 6.12 0.00 0.23 -4.96 105.19 108.59 2cey n GLY 59 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 2cey n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cey n SER 60 N 0.00 0.37 -4.10 1.61 3.41 -0.23 -4.70 113.62 109.97 2cey n SER 60 Ca 0.00 0.37 -0.21 0.00 -0.26 0.00 0.00 58.87 58.77 2cey n SER 60 Cb 0.00 -0.39 -0.14 0.00 -0.26 0.00 0.00 64.21 63.41 2cey n SER 60 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2cey s LEU 61 N -3.54 2.07 -0.16 1.04 2.96 -1.03 -4.97 118.68 115.04 2cey s LEU 61 Ca 0.12 -0.30 -0.20 0.00 -0.22 0.00 0.00 54.13 53.53 2cey s LEU 61 Cb 0.16 -0.64 -0.23 0.00 0.50 0.00 0.00 46.19 45.98 2cey s LEU 61 CO 0.59 0.12 0.43 0.44 -1.32 0.00 0.00 176.35 176.61 2cey h ASP 62 N 5.56 0.16 -4.51 3.68 3.32 -1.73 -3.33 116.42 119.57 2cey h ASP 62 Ca -0.35 -0.74 -0.35 0.00 0.02 0.00 0.00 57.03 55.62 2cey h ASP 62 Cb 1.17 -0.05 -0.23 0.00 0.22 0.00 0.00 39.33 40.44 2cey h ASP 62 CO 0.47 1.49 -0.76 -0.36 -1.72 0.00 0.00 179.24 178.36 2cey s PHE 63 N -2.39 0.89 0.26 4.55 0.08 -0.40 -0.51 117.98 120.46 2cey s PHE 63 Ca -0.24 -0.41 -0.14 0.00 0.12 0.00 0.00 56.93 56.26 2cey s PHE 63 Cb 0.04 -0.52 0.00 0.00 -0.57 0.00 0.00 43.02 41.97 2cey s PHE 63 CO 0.68 -0.02 0.54 -0.08 -0.10 0.00 0.00 175.22 176.24 2cey s THR 64 N -1.10 0.00 -0.11 0.64 -1.32 -0.70 -1.24 115.64 111.80 2cey s THR 64 Ca -0.04 -1.32 -0.04 0.00 -1.21 0.00 0.00 61.69 59.07 2cey s THR 64 Cb -0.09 -2.21 -0.04 0.00 -1.51 0.00 0.00 72.50 68.65 2cey s THR 64 CO 0.01 0.00 0.06 -0.36 -2.21 0.00 0.00 174.62 172.12 2cey s PHE 65 N -3.88 3.32 0.06 9.09 0.08 -1.24 -1.14 117.98 124.26 2cey s PHE 65 Ca 0.20 0.28 -0.08 0.00 0.12 0.00 0.00 56.93 57.46 2cey s PHE 65 Cb -0.02 -1.88 -0.00 0.00 -0.57 0.00 0.00 43.02 40.55 2cey s PHE 65 CO 0.09 0.51 0.17 0.00 -0.10 0.00 0.00 175.22 175.89 2cey s ALA 66 N -0.74 -0.21 0.26 5.36 0.00 -0.83 -4.91 121.76 120.69 2cey s ALA 66 Ca 0.12 -0.52 -0.08 0.00 0.00 0.00 0.00 51.96 51.48 2cey s ALA 66 Cb -0.12 0.37 -0.06 0.00 0.00 0.00 0.00 23.12 23.30 2cey s ALA 66 CO 0.03 -0.42 0.56 -1.83 0.00 0.00 0.00 175.76 174.10 2cey s GLU 67 N -3.23 3.74 0.28 0.00 -1.05 -1.26 0.90 118.70 118.09 2cey s GLU 67 Ca 0.00 0.20 0.03 0.00 -0.15 0.00 0.00 54.97 55.05 2cey s GLU 67 Cb 0.02 -2.63 0.67 0.00 -0.44 0.00 0.00 34.13 31.75 2cey s GLU 67 CO -0.08 0.26 1.73 0.77 0.95 0.00 0.00 175.26 178.89 2cey h SER 68 N 2.19 0.45 0.21 0.83 0.02 -1.95 -1.70 113.55 113.60 2cey h SER 68 Ca -0.47 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 2cey h SER 68 Cb 1.18 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 2cey h SER 68 CO 0.68 0.10 -0.05 0.00 -1.14 0.00 0.00 176.83 176.42 2cey h ALA 69 N 1.65 1.31 0.00 3.77 0.00 -1.91 -2.85 119.26 121.24 2cey h ALA 69 Ca 0.53 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 2cey h ALA 69 Cb 0.92 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2cey h ALA 69 CO -0.46 0.07 -0.10 -0.09 0.00 0.00 0.00 179.25 178.67 2cey h ARG 70 N 0.00 0.00 0.00 0.00 9.65 -1.61 -2.32 114.38 120.09 2cey h ARG 70 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2cey h ARG 70 Cb 0.17 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 2cey h ARG 70 CO 0.01 0.10 0.00 1.19 2.80 0.00 0.00 179.97 184.06 2cey n PHE 71 N -3.71 0.00 0.31 2.20 3.72 -1.08 -1.94 117.46 116.96 2cey n PHE 71 Ca -0.02 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.56 2cey n PHE 71 Cb 0.20 -0.20 1.00 0.00 -0.94 0.00 0.00 39.48 39.54 2cey n PHE 71 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 2cey h GLN 72 N 0.00 0.00 -0.53 -1.08 3.07 -1.54 0.66 115.11 115.69 2cey h GLN 72 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 58.65 58.81 2cey h GLN 72 Cb 0.12 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.65 2cey h GLN 72 CO 0.00 0.02 0.36 -0.07 0.09 0.00 0.00 178.83 179.22 2cey h LEU 73 N 0.00 0.38 0.00 0.06 4.07 -1.63 -3.21 115.31 114.98 2cey h LEU 73 Ca -0.00 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.65 2cey h LEU 73 Cb 0.09 -0.08 -0.06 0.00 1.08 0.00 0.00 40.66 41.69 2cey h LEU 73 CO 0.00 0.25 -2.17 0.49 -1.08 0.00 0.00 178.44 175.93 2cey n PHE 74 N -4.47 0.00 -3.84 1.13 3.72 0.21 -4.86 117.46 109.34 2cey n PHE 74 Ca 0.08 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.17 2cey n PHE 74 Cb 0.28 -0.81 -0.15 0.00 -0.94 0.00 0.00 39.48 37.86 2cey n PHE 74 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2cey s TYR 75 N -2.41 2.55 0.48 1.38 2.02 0.20 -5.02 117.35 116.55 2cey s TYR 75 Ca -0.20 -2.39 0.29 0.00 -0.37 0.00 0.00 57.07 54.40 2cey s TYR 75 Cb 0.06 -2.23 1.37 0.00 -0.40 0.00 0.00 41.96 40.76 2cey s TYR 75 CO 0.56 -0.87 1.78 -1.35 -1.57 0.00 0.00 175.55 174.10 2cey h PRO 76 N 7.57 0.15 0.00 -1.71 0.11 -1.82 -0.33 132.00 135.98 2cey h PRO 76 Ca -0.08 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2cey h PRO 76 Cb 0.99 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2cey h PRO 76 CO 0.51 0.10 0.00 1.05 -0.21 0.00 0.00 178.00 179.45 2cey h GLU 77 N 0.16 0.00 0.00 1.05 9.09 -1.87 -2.34 114.58 120.66 2cey h GLU 77 Ca 0.59 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.00 2cey h GLU 77 Cb 1.98 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.08 2cey h GLU 77 CO -0.14 0.00 0.00 0.00 0.05 0.00 0.00 179.01 178.92 2cey n ALA 78 N -2.07 1.77 0.09 1.06 0.00 -0.13 -1.44 120.51 119.78 2cey n ALA 78 Ca -0.03 -0.05 0.20 0.00 0.00 0.00 0.00 53.44 53.57 2cey n ALA 78 Cb 0.09 -1.28 0.74 0.00 0.00 0.00 0.00 19.45 19.00 2cey n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cey h ALA 79 N 2.56 2.12 -1.28 0.00 0.00 -1.62 -2.68 119.26 118.37 2cey h ALA 79 Ca 0.00 -0.01 0.40 0.00 0.00 0.00 0.00 54.91 55.29 2cey h ALA 79 Cb 0.30 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.01 2cey h ALA 79 CO 0.00 -0.67 0.84 -0.24 0.00 0.00 0.00 179.25 179.18 2cey h VAL 80 N 0.00 0.23 0.00 0.00 3.04 -1.49 -0.91 116.25 117.12 2cey h VAL 80 Ca 0.20 -0.05 -0.01 0.00 -1.01 0.00 0.00 66.70 65.82 2cey h VAL 80 Cb 1.11 0.07 -0.00 0.00 -2.01 0.00 0.00 31.29 30.45 2cey h VAL 80 CO -0.00 0.03 -0.07 -0.26 -1.01 0.00 0.00 177.57 176.26 2cey h PHE 81 N 0.15 0.00 -0.08 3.17 0.04 -1.74 -2.94 116.94 115.54 2cey h PHE 81 Ca 0.76 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.53 2cey h PHE 81 Cb 2.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.51 2cey h PHE 81 CO -0.00 0.07 0.00 0.00 -0.60 0.00 0.00 178.31 177.77 2cey n ALA 82 N -2.35 2.32 -2.14 2.45 0.00 -0.36 -4.72 120.51 115.71 2cey n ALA 82 Ca -0.03 -1.99 -0.42 0.00 0.00 0.00 0.00 53.44 51.01 2cey n ALA 82 Cb 0.16 -0.35 -0.03 0.00 0.00 0.00 0.00 19.45 19.23 2cey n ALA 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2cey s LEU 83 N -2.19 4.39 0.21 0.00 1.02 -1.11 -4.89 118.68 116.11 2cey s LEU 83 Ca 0.25 2.32 -0.31 0.00 0.02 0.00 0.00 54.13 56.41 2cey s LEU 83 Cb 0.20 -3.59 -0.10 0.00 0.02 0.00 0.00 46.19 42.72 2cey s LEU 83 CO 0.05 -0.59 1.48 -2.84 0.02 0.00 0.00 176.35 174.47 2cey s PRO 84 N 0.66 4.25 0.00 1.29 0.02 -1.26 -2.17 135.00 137.79 2cey s PRO 84 Ca 0.61 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.93 2cey s PRO 84 Cb -0.36 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.03 2cey s PRO 84 CO 0.33 -0.48 0.00 0.66 -0.33 0.00 0.00 177.00 177.18 2cey n TYR 85 N 3.00 0.00 -0.06 6.54 4.01 -0.55 -4.89 117.16 125.21 2cey n TYR 85 Ca 0.09 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.69 2cey n TYR 85 Cb 0.40 -0.39 -0.03 0.00 -0.31 0.00 0.00 39.34 39.01 2cey n TYR 85 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2cey h VAL 86 N 0.00 1.28 -3.51 -0.72 2.07 -1.72 -3.39 116.25 110.26 2cey h VAL 86 Ca 0.00 -1.77 -0.75 0.00 0.82 0.00 0.00 66.70 65.01 2cey h VAL 86 Cb 0.00 1.68 -0.29 0.00 -1.52 0.00 0.00 31.29 31.17 2cey h VAL 86 CO 0.00 0.57 -0.19 -0.63 0.02 0.00 0.00 177.57 177.35 2cey s ILE 87 N -4.07 4.75 0.30 4.57 -1.09 -1.26 -4.88 121.20 119.52 2cey s ILE 87 Ca -0.10 -2.25 -0.01 0.00 -2.23 0.00 0.00 60.65 56.05 2cey s ILE 87 Cb 0.10 -4.03 0.23 0.00 -1.58 0.00 0.00 42.46 37.18 2cey s ILE 87 CO 0.89 -0.90 1.93 0.28 -1.23 0.00 0.00 174.94 175.91 2cey h SER 88 N 7.96 0.86 -5.03 3.58 0.02 -1.93 -3.43 113.55 115.57 2cey h SER 88 Ca -0.07 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2cey h SER 88 Cb 1.04 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.36 2cey h SER 88 CO 0.82 0.68 0.30 0.54 -1.14 0.00 0.00 176.83 178.03 2cey s ASN 89 N -6.41 -0.00 0.26 3.07 2.20 -1.26 -5.04 114.94 107.76 2cey s ASN 89 Ca -0.11 -1.09 -0.01 0.00 -0.94 0.00 0.00 52.86 50.71 2cey s ASN 89 Cb 0.17 0.82 0.35 0.00 -2.00 0.00 0.00 41.25 40.60 2cey s ASN 89 CO 0.79 -1.63 1.75 0.22 -2.94 0.00 0.00 177.10 175.29 2cey h TYR 90 N 2.00 0.77 -0.48 1.54 3.20 -2.00 -2.21 116.97 119.79 2cey h TYR 90 Ca -0.31 -0.12 0.09 0.00 3.14 0.00 0.00 58.73 61.52 2cey h TYR 90 Cb 1.25 -0.21 -0.08 0.00 1.54 0.00 0.00 36.73 39.24 2cey h TYR 90 CO 1.35 0.76 0.04 -0.97 -1.64 0.00 0.00 178.16 177.69 2cey h ASN 91 N 0.66 -0.13 -0.55 -2.11 -1.24 -1.99 -0.35 115.58 109.87 2cey h ASN 91 Ca 0.12 0.10 0.05 0.00 0.71 0.00 0.00 56.30 57.29 2cey h ASN 91 Cb 0.51 0.17 -0.05 0.00 0.73 0.00 0.00 38.32 39.68 2cey h ASN 91 CO 0.03 -0.03 0.28 0.58 -1.29 0.00 0.00 177.43 176.99 2cey h VAL 92 N 0.15 0.95 -0.97 2.57 2.07 -1.75 -0.55 116.25 118.72 2cey h VAL 92 Ca 0.24 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.62 2cey h VAL 92 Cb 0.35 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 2cey h VAL 92 CO -0.37 0.10 0.63 0.00 0.02 0.00 0.00 177.57 177.95 2cey h ALA 93 N 1.30 1.30 -0.40 1.67 0.00 -0.79 0.26 119.26 122.60 2cey h ALA 93 Ca 0.25 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 2cey h ALA 93 Cb 0.16 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2cey h ALA 93 CO -0.17 0.49 0.01 1.96 0.00 0.00 0.00 179.25 181.54 2cey h GLN 94 N 1.20 0.70 -0.18 0.00 4.20 -0.65 -2.64 115.11 117.75 2cey h GLN 94 Ca 0.40 -0.22 -0.16 0.00 0.06 0.00 0.00 58.65 58.73 2cey h GLN 94 Cb 0.05 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2cey h GLN 94 CO -0.14 0.79 -0.56 0.87 -0.67 0.00 0.00 178.83 179.12 2cey h LYS 95 N 0.54 0.53 -0.58 1.46 1.79 -0.75 -1.79 116.57 117.78 2cey h LYS 95 Ca 0.12 -0.34 0.07 0.00 -2.18 0.00 0.00 60.65 58.32 2cey h LYS 95 Cb 0.46 0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 31.09 2cey h LYS 95 CO 0.02 0.95 0.25 0.00 -1.08 0.00 0.00 179.45 179.59 2cey h ALA 96 N 0.98 0.75 0.02 3.86 0.00 -0.49 0.36 119.26 124.74 2cey h ALA 96 Ca 0.01 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2cey h ALA 96 Cb 1.10 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2cey h ALA 96 CO 0.10 -0.13 -0.68 1.25 0.00 0.00 0.00 179.25 179.79 2cey h LEU 97 N 0.47 0.57 0.00 0.00 5.85 -1.37 -3.31 115.31 117.52 2cey h LEU 97 Ca 0.28 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2cey h LEU 97 Cb 0.27 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2cey h LEU 97 CO -0.24 1.28 -1.43 0.49 -0.34 0.00 0.00 178.44 178.20 2cey n PHE 98 N -4.16 0.00 -0.51 1.25 3.72 -0.68 -3.17 117.46 113.90 2cey n PHE 98 Ca -0.11 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.32 2cey n PHE 98 Cb 0.72 -0.26 0.05 0.00 -0.94 0.00 0.00 39.48 39.05 2cey n PHE 98 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2cey n ASP 99 N -1.85 1.90 -4.55 4.37 9.92 0.12 -4.78 116.55 121.68 2cey n ASP 99 Ca -0.01 -2.30 -0.26 0.00 -0.53 0.00 0.00 54.79 51.69 2cey n ASP 99 Cb 0.37 -0.15 -0.10 0.00 -0.64 0.00 0.00 41.12 40.60 2cey n ASP 99 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2cey s THR 100 N -1.52 3.03 0.21 -3.53 -4.23 -1.03 -4.91 115.64 103.66 2cey s THR 100 Ca 0.11 -1.79 -0.09 0.00 -1.18 0.00 0.00 61.69 58.74 2cey s THR 100 Cb 0.09 -2.51 0.16 0.00 1.34 0.00 0.00 72.50 71.58 2cey s THR 100 CO 0.01 -0.15 1.84 -0.08 -0.54 0.00 0.00 174.62 175.70 2cey h GLU 101 N 2.82 0.82 -0.19 3.99 4.57 -1.94 -0.99 114.58 123.65 2cey h GLU 101 Ca -0.46 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 57.72 2cey h GLU 101 Cb 1.21 -0.19 -0.06 0.00 -0.16 0.00 0.00 28.75 29.56 2cey h GLU 101 CO 0.54 0.54 -0.16 0.35 -1.18 0.00 0.00 179.01 179.11 2cey h PHE 102 N 0.85 -0.40 -0.25 0.92 3.57 -1.95 -0.57 116.94 119.10 2cey h PHE 102 Ca 0.30 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 2cey h PHE 102 Cb 0.08 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2cey h PHE 102 CO -0.05 -0.23 0.12 0.78 -2.23 0.00 0.00 178.31 176.71 2cey h GLY 103 N -0.17 0.39 1.01 2.40 0.00 -1.55 -0.48 103.07 104.68 2cey h GLY 103 Ca 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 2cey h GLY 103 CO -0.29 0.18 0.45 0.50 0.00 0.00 0.00 176.54 177.38 2cey h LYS 104 N 0.28 1.08 -0.26 4.80 1.57 -0.94 -1.31 116.57 121.79 2cey h LYS 104 Ca 0.09 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 2cey h LYS 104 Cb 0.12 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2cey h LYS 104 CO -0.01 0.78 -0.34 -0.44 -0.57 0.00 0.00 179.45 178.88 2cey h ASP 105 N 1.09 0.59 -0.29 0.86 3.32 -0.84 -1.55 116.42 119.59 2cey h ASP 105 Ca 0.28 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2cey h ASP 105 Cb -0.00 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 2cey h ASP 105 CO -0.05 0.88 0.19 0.25 -1.72 0.00 0.00 179.24 178.79 2cey h LEU 106 N 0.48 0.33 -0.86 1.55 5.85 -0.58 -0.70 115.31 121.38 2cey h LEU 106 Ca 0.05 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.84 2cey h LEU 106 Cb 0.82 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.70 2cey h LEU 106 CO 0.07 0.24 0.52 0.40 -0.34 0.00 0.00 178.44 179.32 2cey h ILE 107 N 0.39 0.98 -0.51 4.05 2.04 -1.01 -1.25 117.51 122.20 2cey h ILE 107 Ca 0.10 -0.31 -0.08 0.00 1.00 0.00 0.00 64.86 65.57 2cey h ILE 107 Cb -0.04 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.02 2cey h ILE 107 CO -0.02 0.16 0.00 0.11 0.00 0.00 0.00 178.15 178.41 2cey h LYS 108 N 0.90 0.89 -0.51 2.37 1.57 -1.01 -2.63 116.57 118.16 2cey h LYS 108 Ca 0.39 -0.28 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2cey h LYS 108 Cb 0.27 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 2cey h LYS 108 CO -0.21 0.92 0.29 0.87 -0.57 0.00 0.00 179.45 180.75 2cey h LYS 109 N 0.76 0.56 -0.69 3.15 1.57 -0.75 0.39 116.57 121.56 2cey h LYS 109 Ca 0.14 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.00 2cey h LYS 109 Cb 0.52 -0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.62 2cey h LYS 109 CO 0.03 0.37 0.28 0.52 -0.57 0.00 0.00 179.45 180.08 2cey h MET 110 N 0.57 0.46 0.81 3.15 2.86 -1.12 0.39 114.93 122.06 2cey h MET 110 Ca 0.21 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.78 2cey h MET 110 Cb 0.06 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 31.62 2cey h MET 110 CO -0.11 0.30 -0.39 0.22 1.06 0.00 0.00 176.91 177.99 2cey h ASP 111 N 0.47 -0.92 0.00 1.22 3.58 -0.95 0.21 116.42 120.03 2cey h ASP 111 Ca 0.35 0.02 -0.10 0.00 0.42 0.00 0.00 57.03 57.72 2cey h ASP 111 Cb 0.46 0.24 0.01 0.00 1.72 0.00 0.00 39.33 41.76 2cey h ASP 111 CO -0.33 -0.58 -0.41 0.11 -2.88 0.00 0.00 179.24 175.15 2cey h LYS 112 N -1.25 0.27 0.19 0.28 1.57 -0.81 -2.51 116.57 114.31 2cey h LYS 112 Ca -0.11 -0.29 -0.34 0.00 -1.87 0.00 0.00 60.65 58.03 2cey h LYS 112 Cb 0.85 0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.25 2cey h LYS 112 CO 0.18 1.01 -1.66 -0.44 -0.57 0.00 0.00 179.45 177.97 2cey h ASP 113 N -0.35 0.64 -0.00 0.86 3.32 -0.40 -3.41 116.42 117.08 2cey h ASP 113 Ca -0.05 -0.87 0.00 0.00 0.02 0.00 0.00 57.03 56.12 2cey h ASP 113 Cb 1.15 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.49 2cey h ASP 113 CO 0.08 1.72 -0.66 0.18 -1.72 0.00 0.00 179.24 178.84 2cey n LEU 114 N -3.60 0.79 -0.21 1.55 4.77 -0.91 -4.98 117.00 114.40 2cey n LEU 114 Ca -0.22 -0.53 -0.02 0.00 -0.03 0.00 0.00 56.01 55.21 2cey n LEU 114 Cb 1.08 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.16 2cey n LEU 114 CO 0.54 0.19 -0.03 0.61 -1.33 0.00 0.00 177.39 177.37 2cey n GLY 115 N 1.33 0.42 3.24 -0.72 0.00 0.46 -4.21 105.19 105.72 2cey n GLY 115 Ca 0.03 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 2cey n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cey s VAL 116 N -2.10 1.99 -0.25 1.61 1.01 0.37 -0.97 120.40 122.05 2cey s VAL 116 Ca 0.00 -1.02 -0.09 0.00 0.00 0.00 0.00 61.98 60.88 2cey s VAL 116 Cb 0.00 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 2cey s VAL 116 CO 0.00 0.55 0.12 -0.89 0.00 0.00 0.00 175.10 174.88 2cey s THR 117 N 0.01 4.79 -0.41 3.92 2.01 -0.03 -1.70 115.64 124.23 2cey s THR 117 Ca -0.08 -0.01 -0.29 0.00 0.31 0.00 0.00 61.69 61.62 2cey s THR 117 Cb -0.15 -3.25 0.01 0.00 0.01 0.00 0.00 72.50 69.13 2cey s THR 117 CO 0.05 0.32 1.33 -0.22 -0.69 0.00 0.00 174.62 175.41 2cey s LEU 118 N 1.50 3.64 -0.12 4.42 2.96 -1.26 -1.47 118.68 128.36 2cey s LEU 118 Ca 0.06 0.79 -0.00 0.00 -0.22 0.00 0.00 54.13 54.76 2cey s LEU 118 Cb -0.15 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.75 2cey s LEU 118 CO 0.06 -1.34 0.36 0.18 -1.32 0.00 0.00 176.35 174.30 2cey n LEU 119 N 8.41 2.17 -3.58 -0.68 4.77 0.14 -5.01 117.00 123.22 2cey n LEU 119 Ca 0.15 0.21 -0.08 0.00 -0.03 0.00 0.00 56.01 56.27 2cey n LEU 119 Cb 0.48 -0.74 -0.02 0.00 -2.33 0.00 0.00 43.42 40.81 2cey n LEU 119 CO 0.70 0.74 0.62 -0.94 -1.33 0.00 0.00 177.39 177.18 2cey s SER 120 N -6.71 -0.35 -0.08 -1.43 1.04 -1.21 -4.58 113.70 100.38 2cey s SER 120 Ca -0.19 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.12 2cey s SER 120 Cb 0.07 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.68 2cey s SER 120 CO 0.77 -0.82 -0.18 -1.58 0.98 0.00 0.00 173.24 172.41 2cey s GLN 121 N -3.35 2.27 0.26 4.02 0.74 -1.26 -1.15 119.66 121.18 2cey s GLN 121 Ca 0.06 -0.63 0.10 0.00 0.05 0.00 0.00 55.36 54.95 2cey s GLN 121 Cb -0.01 -1.79 -0.05 0.00 1.10 0.00 0.00 33.01 32.26 2cey s GLN 121 CO -0.06 0.11 -0.10 0.00 -0.55 0.00 0.00 175.29 174.70 2cey s ALA 122 N 0.46 2.96 0.05 1.58 0.00 0.50 -4.77 121.76 122.54 2cey s ALA 122 Ca -0.15 -1.72 -0.30 0.00 0.00 0.00 0.00 51.96 49.79 2cey s ALA 122 Cb -0.16 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 2cey s ALA 122 CO 0.06 0.30 0.98 -0.47 0.00 0.00 0.00 175.76 176.63 2cey s TYR 123 N -2.30 3.71 -0.19 0.00 5.04 -1.26 -0.94 117.35 121.42 2cey s TYR 123 Ca 0.30 1.73 0.13 0.00 -2.44 0.00 0.00 57.07 56.78 2cey s TYR 123 Cb -0.06 -3.11 0.40 0.00 0.35 0.00 0.00 41.96 39.54 2cey s TYR 123 CO 0.17 0.02 1.21 -1.71 -1.34 0.00 0.00 175.55 173.90 2cey n ASN 124 N 3.42 1.74 0.00 4.32 5.15 0.67 -4.23 115.26 126.32 2cey n ASN 124 Ca 0.05 -3.68 0.00 0.00 -0.60 0.00 0.00 54.58 50.34 2cey n ASN 124 Cb 0.50 -0.50 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2cey n ASN 124 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2cey n GLY 125 N -1.06 1.16 3.59 8.20 0.00 -1.22 -4.69 105.19 111.15 2cey n GLY 125 Ca 0.18 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 2cey n GLY 125 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cey s THR 126 N -2.77 3.62 0.22 2.61 2.01 -1.26 -0.73 115.64 119.33 2cey s THR 126 Ca 0.00 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 2cey s THR 126 Cb 0.00 -2.55 -0.08 0.00 0.01 0.00 0.00 72.50 69.88 2cey s THR 126 CO 0.00 0.45 0.94 -0.13 -0.69 0.00 0.00 174.62 175.19 2cey s ARG 127 N -1.24 4.82 0.31 4.92 0.52 0.57 -4.28 118.95 124.58 2cey s ARG 127 Ca 0.16 1.47 0.03 0.00 -0.52 0.00 0.00 55.73 56.87 2cey s ARG 127 Cb -0.11 -3.29 -0.06 0.00 0.52 0.00 0.00 34.95 32.00 2cey s ARG 127 CO 0.06 0.47 0.07 -0.65 0.02 0.00 0.00 175.30 175.27 2cey s GLN 128 N -0.99 1.61 -0.18 3.54 -1.52 -0.49 -3.11 119.66 118.51 2cey s GLN 128 Ca 0.42 -1.89 0.01 0.00 -1.95 0.00 0.00 55.36 51.94 2cey s GLN 128 Cb -0.25 -0.76 0.02 0.00 -0.22 0.00 0.00 33.01 31.79 2cey s GLN 128 CO 0.31 -0.21 -0.20 0.99 -0.25 0.00 0.00 175.29 175.94 2cey s THR 129 N -3.37 2.10 0.34 -0.19 2.01 -1.06 -1.90 115.64 113.57 2cey s THR 129 Ca 0.37 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.48 2cey s THR 129 Cb 0.09 -1.88 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 2cey s THR 129 CO 0.15 0.54 0.50 0.42 -0.69 0.00 0.00 174.62 175.54 2cey s THR 130 N 1.27 4.48 0.19 -0.82 -4.23 0.49 -0.72 115.64 116.30 2cey s THR 130 Ca 0.04 -0.80 -0.23 0.00 -1.18 0.00 0.00 61.69 59.52 2cey s THR 130 Cb -0.13 -3.60 0.06 0.00 1.34 0.00 0.00 72.50 70.17 2cey s THR 130 CO -0.12 -0.30 0.94 -0.94 -0.54 0.00 0.00 174.62 173.66 2cey s SER 131 N -4.12 -0.13 0.00 3.99 1.04 -0.19 -2.26 113.70 112.02 2cey s SER 131 Ca 0.42 -0.53 0.23 0.00 0.48 0.00 0.00 55.95 56.56 2cey s SER 131 Cb -0.10 0.54 0.45 0.00 0.10 0.00 0.00 66.02 67.01 2cey s SER 131 CO 0.33 -1.02 1.41 -0.46 0.98 0.00 0.00 173.24 174.49 2cey n ASN 132 N -0.68 3.29 -3.81 7.02 0.23 -0.28 -2.28 115.26 118.75 2cey n ASN 132 Ca -0.05 -1.97 -0.12 0.00 -0.53 0.00 0.00 54.58 51.91 2cey n ASN 132 Cb 0.60 -0.23 -0.08 0.00 -2.08 0.00 0.00 39.78 37.99 2cey n ASN 132 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2cey s ARG 133 N -1.55 0.68 0.25 -3.83 1.70 -1.26 -4.88 118.95 110.06 2cey s ARG 133 Ca 0.38 -0.46 -0.30 0.00 -0.47 0.00 0.00 55.73 54.88 2cey s ARG 133 Cb 0.22 0.29 -0.11 0.00 -0.57 0.00 0.00 34.95 34.79 2cey s ARG 133 CO 0.31 -0.20 1.56 0.00 -1.08 0.00 0.00 175.30 175.90 2cey s ALA 134 N -2.07 3.74 -0.77 7.88 0.00 -1.26 -4.89 121.76 124.39 2cey s ALA 134 Ca -0.09 1.47 -0.16 0.00 0.00 0.00 0.00 51.96 53.19 2cey s ALA 134 Cb -0.03 -3.62 0.17 0.00 0.00 0.00 0.00 23.12 19.64 2cey s ALA 134 CO -0.01 -0.88 0.79 0.42 0.00 0.00 0.00 175.76 176.09 2cey s ILE 135 N 0.30 5.25 -0.13 0.00 1.01 -1.26 -4.87 121.20 121.50 2cey s ILE 135 Ca 0.64 -1.91 0.17 0.00 0.00 0.00 0.00 60.65 59.56 2cey s ILE 135 Cb -0.46 -4.52 -0.16 0.00 0.01 0.00 0.00 42.46 37.33 2cey s ILE 135 CO 0.42 -1.12 0.72 0.59 0.00 0.00 0.00 174.94 175.55 2cey n ASN 136 N 5.07 0.70 -3.17 3.58 5.03 -1.26 -4.59 115.26 120.61 2cey n ASN 136 Ca 0.08 0.31 -0.08 0.00 0.87 0.00 0.00 54.58 55.76 2cey n ASN 136 Cb 0.46 0.41 0.01 0.00 -1.02 0.00 0.00 39.78 39.64 2cey n ASN 136 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2cey s SER 137 N -5.63 -0.06 0.57 6.41 1.04 -1.26 -4.49 113.70 110.28 2cey s SER 137 Ca -0.04 -0.98 0.26 0.00 0.48 0.00 0.00 55.95 55.67 2cey s SER 137 Cb 0.09 0.79 1.58 0.00 0.10 0.00 0.00 66.02 68.58 2cey s SER 137 CO 0.82 -1.55 2.11 -0.29 0.98 0.00 0.00 173.24 175.31 2cey h ILE 138 N 2.00 0.59 -0.99 -1.02 2.10 -1.95 -1.62 117.51 116.62 2cey h ILE 138 Ca -0.29 0.00 0.24 0.00 1.08 0.00 0.00 64.86 65.89 2cey h ILE 138 Cb 1.25 0.86 -0.08 0.00 -1.09 0.00 0.00 36.82 37.75 2cey h ILE 138 CO 0.36 0.00 0.65 0.00 -1.08 0.00 0.00 178.15 178.08 2cey h ALA 139 N 1.82 2.21 0.00 0.18 0.00 -1.96 -2.53 119.26 118.97 2cey h ALA 139 Ca 0.09 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2cey h ALA 139 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2cey h ALA 139 CO -0.00 -0.56 0.00 -0.44 0.00 0.00 0.00 179.25 178.24 2cey h ASP 140 N 0.42 0.00 0.33 0.00 3.32 -1.63 -2.76 116.42 116.09 2cey h ASP 140 Ca 0.55 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.55 2cey h ASP 140 Cb 1.36 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.91 2cey h ASP 140 CO -0.25 0.00 -0.21 0.24 -1.72 0.00 0.00 179.24 177.30 2cey h MET 141 N 0.00 0.00 -6.48 3.56 2.86 -1.61 -3.42 114.93 109.84 2cey h MET 141 Ca 0.00 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 57.04 2cey h MET 141 Cb 0.65 0.00 0.06 0.00 0.06 0.00 0.00 31.60 32.37 2cey h MET 141 CO 0.00 0.21 0.67 1.63 1.06 0.00 0.00 176.91 180.48 2cey n LYS 142 N -3.97 1.91 0.00 1.72 5.02 -1.04 -1.81 118.16 119.98 2cey n LYS 142 Ca -0.02 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 2cey n LYS 142 Cb 0.29 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 32.91 2cey n LYS 142 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2cey n GLY 143 N 2.87 2.99 3.65 0.72 0.00 -1.25 -4.98 105.19 109.19 2cey n GLY 143 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2cey n GLY 143 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cey s LEU 144 N 0.00 4.15 -0.60 0.99 2.96 -0.75 -4.72 118.68 120.70 2cey s LEU 144 Ca 0.00 1.90 -0.26 0.00 -0.22 0.00 0.00 54.13 55.55 2cey s LEU 144 Cb 0.00 -3.53 0.04 0.00 0.50 0.00 0.00 46.19 43.19 2cey s LEU 144 CO 0.00 -0.99 1.10 -0.54 -1.32 0.00 0.00 176.35 174.60 2cey s LYS 145 N 4.12 3.36 -0.28 1.98 1.02 -1.26 0.61 119.74 129.29 2cey s LYS 145 Ca 0.68 -0.10 -0.02 0.00 0.02 0.00 0.00 55.97 56.54 2cey s LYS 145 Cb -0.28 -4.07 0.03 0.00 -0.52 0.00 0.00 37.83 32.99 2cey s LYS 145 CO 0.26 -1.70 -0.02 -1.17 -0.92 0.00 0.00 175.35 171.80 2cey s LEU 146 N 4.66 3.56 0.10 3.17 2.96 0.03 -0.88 118.68 132.27 2cey s LEU 146 Ca 0.35 -1.01 -0.30 0.00 -0.22 0.00 0.00 54.13 52.95 2cey s LEU 146 Cb -0.10 -1.71 -0.06 0.00 0.50 0.00 0.00 46.19 44.81 2cey s LEU 146 CO 0.20 -0.19 1.18 -0.60 -1.32 0.00 0.00 176.35 175.62 2cey s ARG 147 N 1.32 4.47 0.07 1.98 6.06 0.15 -0.75 118.95 132.25 2cey s ARG 147 Ca -0.02 1.77 0.03 0.00 -2.50 0.00 0.00 55.73 55.01 2cey s ARG 147 Cb -0.18 -3.32 -0.03 0.00 0.06 0.00 0.00 34.95 31.48 2cey s ARG 147 CO -0.02 -0.17 -0.09 0.14 -2.50 0.00 0.00 175.30 172.66 2cey s VAL 148 N 0.67 0.71 0.93 7.11 -7.23 -1.10 -3.45 120.40 118.04 2cey s VAL 148 Ca 0.56 -1.41 -0.11 0.00 -1.81 0.00 0.00 61.98 59.20 2cey s VAL 148 Cb -0.30 -1.05 0.15 0.00 0.56 0.00 0.00 36.38 35.74 2cey s VAL 148 CO 0.31 -0.52 1.09 -2.16 -0.31 0.00 0.00 175.10 173.52 2cey s PRO 149 N -2.37 0.91 -1.32 4.82 0.04 -1.26 -4.08 135.00 131.75 2cey s PRO 149 Ca -0.01 1.08 -0.14 0.00 0.04 0.00 0.00 61.00 61.97 2cey s PRO 149 Cb -0.05 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 2cey s PRO 149 CO -0.01 -2.55 2.33 0.09 0.04 0.00 0.00 177.00 176.90 2cey n ASN 150 N -4.13 4.85 -4.03 6.66 5.03 -1.26 -4.56 115.26 117.81 2cey n ASN 150 Ca 0.08 -2.70 -0.22 0.00 0.87 0.00 0.00 54.58 52.61 2cey n ASN 150 Cb 0.54 -1.48 -0.16 0.00 -1.02 0.00 0.00 39.78 37.66 2cey n ASN 150 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2cey s ALA 151 N 3.32 1.02 0.33 5.41 0.00 -1.26 -5.05 121.76 125.52 2cey s ALA 151 Ca 0.53 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.11 2cey s ALA 151 Cb 0.15 -0.38 0.58 0.00 0.00 0.00 0.00 23.12 23.47 2cey s ALA 151 CO -0.04 0.16 1.98 0.00 0.00 0.00 0.00 175.76 177.86 2cey h ALA 152 N 6.42 1.52 -0.31 0.00 0.00 -1.99 -1.33 119.26 123.57 2cey h ALA 152 Ca -0.33 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 2cey h ALA 152 Cb 1.17 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2cey h ALA 152 CO 0.48 0.42 -0.33 0.00 0.00 0.00 0.00 179.25 179.82 2cey h THR 153 N 0.95 1.28 -0.20 0.00 1.03 -1.96 -0.61 112.91 113.41 2cey h THR 153 Ca 0.28 -1.47 -0.17 0.00 -0.01 0.00 0.00 66.41 65.05 2cey h THR 153 Cb -0.03 1.40 0.00 0.00 -1.07 0.00 0.00 68.15 68.45 2cey h THR 153 CO -0.07 0.48 -0.52 0.78 -0.01 0.00 0.00 175.52 176.17 2cey h ASN 154 N 0.58 0.80 0.11 0.00 2.35 -1.60 -0.66 115.58 117.15 2cey h ASN 154 Ca 0.06 -0.58 -0.00 0.00 -0.55 0.00 0.00 56.30 55.23 2cey h ASN 154 Cb 0.84 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 2cey h ASN 154 CO 0.07 1.23 -0.07 -0.07 -1.65 0.00 0.00 177.43 176.94 2cey h LEU 155 N 0.40 -0.18 -0.65 1.61 3.38 -1.30 -2.45 115.31 116.12 2cey h LEU 155 Ca -0.01 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.10 2cey h LEU 155 Cb 1.14 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.85 2cey h LEU 155 CO 0.11 -0.11 0.17 0.00 0.09 0.00 0.00 178.44 178.70 2cey h ALA 156 N 0.71 0.82 0.05 1.53 0.00 -1.01 0.62 119.26 121.97 2cey h ALA 156 Ca -0.01 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2cey h ALA 156 Cb 0.15 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2cey h ALA 156 CO 0.00 -0.29 -0.42 -0.92 0.00 0.00 0.00 179.25 177.62 2cey h TYR 157 N 0.30 -1.18 -0.41 0.00 3.20 -0.86 0.55 116.97 118.57 2cey h TYR 157 Ca 0.35 0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.30 2cey h TYR 157 Cb 0.54 0.51 -0.04 0.00 1.54 0.00 0.00 36.73 39.28 2cey h TYR 157 CO -0.24 -0.50 0.16 0.00 -1.64 0.00 0.00 178.16 175.94 2cey h ALA 158 N -0.09 0.49 0.94 1.82 0.00 -1.18 -2.29 119.26 118.95 2cey h ALA 158 Ca 0.04 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2cey h ALA 158 Cb 0.66 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.46 2cey h ALA 158 CO -0.29 -0.22 -0.45 -0.22 0.00 0.00 0.00 179.25 178.07 2cey h LYS 159 N 0.33 -1.22 0.00 0.00 3.64 -0.57 -0.45 116.57 118.31 2cey h LYS 159 Ca 0.18 0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.57 2cey h LYS 159 Cb 0.15 0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2cey h LYS 159 CO -0.17 -0.81 -0.36 1.88 -2.27 0.00 0.00 179.45 177.71 2cey h TYR 160 N -1.27 0.00 0.00 1.91 0.05 -0.75 -0.97 116.97 115.93 2cey h TYR 160 Ca -0.13 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.65 2cey h TYR 160 Cb 0.97 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.71 2cey h TYR 160 CO -0.01 0.36 0.00 1.33 -1.05 0.00 0.00 178.16 178.80 2cey n VAL 161 N -3.31 0.16 0.00 -2.88 0.24 -0.87 -4.72 118.33 106.95 2cey n VAL 161 Ca 0.01 0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 2cey n VAL 161 Cb 0.59 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2cey n VAL 161 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2cey n GLY 162 N 1.08 0.68 3.78 7.63 0.00 -0.37 -4.66 105.19 113.34 2cey n GLY 162 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2cey n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cey s ALA 163 N -2.00 1.66 -0.48 4.61 0.00 -0.18 -3.81 121.76 121.56 2cey s ALA 163 Ca 0.00 -0.66 -0.14 0.00 0.00 0.00 0.00 51.96 51.17 2cey s ALA 163 Cb 0.00 -2.99 0.09 0.00 0.00 0.00 0.00 23.12 20.23 2cey s ALA 163 CO 0.00 -2.48 0.39 -1.12 0.00 0.00 0.00 175.76 172.54 2cey s SER 164 N -4.10 6.00 0.33 0.00 0.01 0.20 -4.39 113.70 111.75 2cey s SER 164 Ca 0.66 -1.54 -0.29 0.00 1.31 0.00 0.00 55.95 56.10 2cey s SER 164 Cb -0.13 -2.13 -0.10 0.00 0.21 0.00 0.00 66.02 63.87 2cey s SER 164 CO 0.54 -0.68 1.39 -2.16 0.41 0.00 0.00 173.24 172.74 2cey s PRO 165 N 1.55 4.26 -0.35 12.44 0.04 -1.26 -0.79 135.00 150.90 2cey s PRO 165 Ca 0.04 2.34 -0.01 0.00 0.04 0.00 0.00 61.00 63.41 2cey s PRO 165 Cb -0.26 -3.05 0.13 0.00 0.04 0.00 0.00 34.50 31.36 2cey s PRO 165 CO 0.04 -0.34 0.19 0.99 0.04 0.00 0.00 177.00 177.92 2cey s THR 166 N -0.90 0.38 0.18 1.26 2.01 0.07 -4.83 115.64 113.81 2cey s THR 166 Ca 0.52 -1.62 -0.30 0.00 0.31 0.00 0.00 61.69 60.60 2cey s THR 166 Cb -0.42 -1.29 -0.08 0.00 0.01 0.00 0.00 72.50 70.72 2cey s THR 166 CO 0.54 -0.89 1.17 -2.16 -0.69 0.00 0.00 174.62 172.60 2cey s PRO 167 N 1.22 4.51 -0.07 4.92 0.04 -1.26 -2.72 135.00 141.64 2cey s PRO 167 Ca 0.15 1.83 -0.19 0.00 0.04 0.00 0.00 61.00 62.84 2cey s PRO 167 Cb -0.21 -3.25 0.04 0.00 0.04 0.00 0.00 34.50 31.11 2cey s PRO 167 CO -0.10 -0.06 0.44 1.41 0.04 0.00 0.00 177.00 178.74 2cey s MET 168 N -0.21 0.72 0.16 4.56 1.75 -1.26 -4.99 119.30 120.03 2cey s MET 168 Ca 0.52 0.18 -0.34 0.00 -1.25 0.00 0.00 55.69 54.80 2cey s MET 168 Cb -0.32 0.33 -0.15 0.00 2.84 0.00 0.00 34.83 37.54 2cey s MET 168 CO 0.36 -0.18 1.45 0.00 -0.65 0.00 0.00 175.02 176.00 2cey n ALA 169 N 1.69 0.63 -0.05 4.11 0.00 -1.26 -4.86 120.51 120.77 2cey n ALA 169 Ca -0.18 0.46 0.07 0.00 0.00 0.00 0.00 53.44 53.78 2cey n ALA 169 Cb 0.56 -2.25 0.44 0.00 0.00 0.00 0.00 19.45 18.21 2cey n ALA 169 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2cey h PHE 170 N 5.03 0.52 -0.85 0.00 3.57 -2.00 -0.79 116.94 122.42 2cey h PHE 170 Ca -0.45 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.09 2cey h PHE 170 Cb 1.28 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.80 2cey h PHE 170 CO 0.60 0.30 0.56 0.66 -2.23 0.00 0.00 178.31 178.20 2cey h SER 171 N 0.54 0.92 1.14 0.41 4.64 -2.07 -3.03 113.55 116.09 2cey h SER 171 Ca 0.21 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2cey h SER 171 Cb 0.17 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2cey h SER 171 CO -0.06 0.63 0.00 -0.62 -0.87 0.00 0.00 176.83 175.92 2cey n GLU 172 N -4.44 0.19 -0.01 4.77 1.02 -0.30 -4.25 120.64 117.61 2cey n GLU 172 Ca 0.11 0.25 -0.11 0.00 -0.02 0.00 0.00 57.16 57.39 2cey n GLU 172 Cb 0.11 -1.76 -0.06 0.00 -0.02 0.00 0.00 31.44 29.71 2cey n GLU 172 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2cey h VAL 173 N 0.00 1.10 -0.53 2.62 2.07 -1.51 -2.26 116.25 117.74 2cey h VAL 173 Ca 0.00 -0.30 0.10 0.00 0.82 0.00 0.00 66.70 67.32 2cey h VAL 173 Cb 0.57 1.12 -0.08 0.00 -1.52 0.00 0.00 31.29 31.38 2cey h VAL 173 CO 0.00 0.09 0.05 0.22 0.02 0.00 0.00 177.57 177.95 2cey h TYR 174 N 0.05 0.06 0.01 1.57 3.20 -1.81 0.71 116.97 120.77 2cey h TYR 174 Ca 0.04 0.04 -0.22 0.00 3.14 0.00 0.00 58.73 61.72 2cey h TYR 174 Cb 0.10 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 2cey h TYR 174 CO -0.04 -0.08 -0.94 -0.07 -1.64 0.00 0.00 178.16 175.39 2cey h LEU 175 N 0.17 0.40 -0.78 2.82 4.07 -1.83 -0.93 115.31 119.22 2cey h LEU 175 Ca 0.27 -0.33 0.08 0.00 0.08 0.00 0.00 57.88 57.98 2cey h LEU 175 Cb 0.40 -0.12 -0.07 0.00 1.08 0.00 0.00 40.66 41.95 2cey h LEU 175 CO -0.40 1.14 0.45 0.00 -1.08 0.00 0.00 178.44 178.55 2cey h ALA 176 N 0.83 1.10 -0.34 1.53 0.00 -0.91 -2.21 119.26 119.26 2cey h ALA 176 Ca -0.07 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2cey h ALA 176 Cb 1.59 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2cey h ALA 176 CO 0.15 0.10 -0.18 -0.07 0.00 0.00 0.00 179.25 179.25 2cey h LEU 177 N 0.78 0.75 -1.40 0.00 3.38 -0.78 0.54 115.31 118.57 2cey h LEU 177 Ca 0.37 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2cey h LEU 177 Cb 0.29 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2cey h LEU 177 CO -0.22 1.00 0.17 -0.61 0.09 0.00 0.00 178.44 178.87 2cey h GLN 178 N 0.50 0.58 -0.54 1.13 4.15 -0.95 -2.34 115.11 117.64 2cey h GLN 178 Ca 0.07 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2cey h GLN 178 Cb 0.73 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.30 2cey h GLN 178 CO 0.05 0.47 0.00 0.25 -1.93 0.00 0.00 178.83 177.68 2cey n THR 179 N -4.38 0.78 -2.35 2.39 -2.24 -0.85 -4.96 114.28 102.68 2cey n THR 179 Ca 0.03 -0.89 -0.20 0.00 -2.27 0.00 0.00 64.05 60.72 2cey n THR 179 Cb 0.14 0.71 -0.02 0.00 -2.10 0.00 0.00 70.33 69.06 2cey n THR 179 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2cey n ASN 180 N 1.43 -5.74 0.11 3.42 4.13 -0.88 -4.85 115.26 112.88 2cey n ASN 180 Ca 0.20 0.04 -0.03 0.00 1.68 0.00 0.00 54.58 56.47 2cey n ASN 180 Cb 0.58 -4.80 0.17 0.00 -1.54 0.00 0.00 39.78 34.19 2cey n ASN 180 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2cey h ALA 181 N 0.93 0.96 -4.15 5.41 0.00 -1.18 -3.42 119.26 117.82 2cey h ALA 181 Ca -0.48 -0.51 -0.61 0.00 0.00 0.00 0.00 54.91 53.31 2cey h ALA 181 Cb 1.35 -0.09 -0.26 0.00 0.00 0.00 0.00 17.79 18.79 2cey h ALA 181 CO 0.57 0.70 -0.85 0.54 0.00 0.00 0.00 179.25 180.21 2cey s VAL 182 N -3.81 1.80 -0.10 0.00 0.11 -0.88 -4.99 120.40 112.52 2cey s VAL 182 Ca -0.03 -1.23 0.15 0.00 -2.93 0.00 0.00 61.98 57.94 2cey s VAL 182 Cb 0.13 -1.55 -0.21 0.00 -1.53 0.00 0.00 36.38 33.21 2cey s VAL 182 CO 0.78 0.27 0.58 0.47 -3.33 0.00 0.00 175.10 173.87 2cey n ASP 183 N 1.87 0.66 -3.39 3.54 8.00 -0.06 -4.25 116.55 122.92 2cey n ASP 183 Ca -0.17 0.31 -0.08 0.00 0.71 0.00 0.00 54.79 55.56 2cey n ASP 183 Cb 0.53 0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 2cey n ASP 183 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2cey s GLY 184 N -5.08 0.14 0.24 0.44 0.00 -0.43 -1.13 107.32 101.50 2cey s GLY 184 Ca -0.05 -0.53 -0.06 0.00 0.00 0.00 0.00 44.72 44.07 2cey s GLY 184 CO 0.83 -0.20 0.33 -0.86 0.00 0.00 0.00 173.10 173.19 2cey s GLN 185 N -3.11 1.45 -0.08 2.90 1.03 -0.96 -0.67 119.66 120.22 2cey s GLN 185 Ca 0.13 -1.48 -0.03 0.00 0.04 0.00 0.00 55.36 54.02 2cey s GLN 185 Cb -0.06 0.38 0.04 0.00 0.03 0.00 0.00 33.01 33.41 2cey s GLN 185 CO 0.09 -0.56 0.09 -2.00 -2.54 0.00 0.00 175.29 170.37 2cey s GLU 186 N -3.96 -0.03 -0.14 9.60 -6.30 -1.22 -0.38 118.70 116.28 2cey s GLU 186 Ca 0.31 0.31 -0.34 0.00 -2.50 0.00 0.00 54.97 52.74 2cey s GLU 186 Cb 0.03 -0.77 0.14 0.00 0.00 0.00 0.00 34.13 33.52 2cey s GLU 186 CO 0.12 -0.41 1.30 -0.80 0.02 0.00 0.00 175.26 175.49 2cey s ASN 187 N 2.19 -0.07 0.78 -1.70 0.02 -0.80 -4.82 114.94 110.54 2cey s ASN 187 Ca 0.04 -0.04 -0.11 0.00 -1.02 0.00 0.00 52.86 51.73 2cey s ASN 187 Cb -0.13 0.11 0.06 0.00 0.02 0.00 0.00 41.25 41.31 2cey s ASN 187 CO -0.05 -0.19 1.08 -2.84 0.02 0.00 0.00 177.10 175.13 2cey s PRO 188 N -2.30 2.25 0.39 -0.60 0.02 -1.26 -1.40 135.00 132.10 2cey s PRO 188 Ca 0.12 0.87 0.08 0.00 0.02 0.00 0.00 61.00 62.10 2cey s PRO 188 Cb 0.02 -1.92 0.83 0.00 0.02 0.00 0.00 34.50 33.45 2cey s PRO 188 CO -0.04 -1.56 1.98 -0.07 -0.33 0.00 0.00 177.00 176.97 2cey h LEU 189 N -1.05 0.56 -1.24 -5.54 3.38 -1.95 -1.87 115.31 107.60 2cey h LEU 189 Ca -0.46 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.62 2cey h LEU 189 Cb 1.24 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 2cey h LEU 189 CO 0.56 0.36 0.56 0.00 0.09 0.00 0.00 178.44 180.02 2cey h ALA 190 N 1.65 1.69 -0.12 1.53 0.00 -1.95 -0.99 119.26 121.07 2cey h ALA 190 Ca 0.28 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.98 2cey h ALA 190 Cb 0.30 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2cey h ALA 190 CO -0.09 0.13 -0.79 0.00 0.00 0.00 0.00 179.25 178.50 2cey h ALA 191 N 1.57 0.38 -0.68 0.00 0.00 -1.71 0.13 119.26 118.95 2cey h ALA 191 Ca 0.41 -0.61 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2cey h ALA 191 Cb 0.46 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2cey h ALA 191 CO -0.17 0.71 0.40 0.28 0.00 0.00 0.00 179.25 180.47 2cey h VAL 192 N 0.45 1.02 0.66 0.00 2.07 -1.10 -0.02 116.25 119.32 2cey h VAL 192 Ca -0.05 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 2cey h VAL 192 Cb 1.41 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2cey h VAL 192 CO 0.15 0.14 -0.32 -0.61 0.02 0.00 0.00 177.57 176.96 2cey h GLN 193 N 0.75 -0.85 -0.93 1.57 4.15 -1.14 0.29 115.11 118.95 2cey h GLN 193 Ca 0.29 0.06 0.11 0.00 0.77 0.00 0.00 58.65 59.88 2cey h GLN 193 Cb 0.11 0.19 -0.07 0.00 0.21 0.00 0.00 27.48 27.93 2cey h GLN 193 CO -0.15 -0.55 0.60 0.00 -1.93 0.00 0.00 178.83 176.80 2cey h ALA 194 N -0.65 1.62 -0.36 3.38 0.00 -0.46 -1.20 119.26 121.60 2cey h ALA 194 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2cey h ALA 194 Cb 0.70 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2cey h ALA 194 CO 0.15 0.17 0.00 1.04 0.00 0.00 0.00 179.25 180.61 2cey n GLN 195 N -4.56 2.40 -4.30 0.00 1.13 -0.05 -4.95 117.38 107.06 2cey n GLN 195 Ca 0.17 -2.12 -0.37 0.00 -1.94 0.00 0.00 57.00 52.74 2cey n GLN 195 Cb 0.34 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.14 2cey n GLN 195 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2cey n LYS 196 N 1.33 -2.33 0.31 -1.09 5.02 -0.46 -4.85 118.16 116.10 2cey n LYS 196 Ca 0.19 0.29 0.19 0.00 -2.02 0.00 0.00 58.31 56.96 2cey n LYS 196 Cb 0.57 -4.82 1.01 0.00 -0.02 0.00 0.00 35.03 31.77 2cey n LYS 196 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2cey h PHE 197 N -1.38 0.00 0.00 2.13 0.04 -1.25 -2.14 116.94 114.34 2cey h PHE 197 Ca -0.60 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.17 2cey h PHE 197 Cb 1.39 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.54 2cey h PHE 197 CO 0.63 0.02 0.06 0.10 -0.60 0.00 0.00 178.31 178.52 2cey h TYR 198 N 0.00 0.00 0.00 -0.55 -0.00 -1.81 -0.48 116.97 114.13 2cey h TYR 198 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 58.58 2cey h TYR 198 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.86 2cey h TYR 198 CO 0.00 0.00 -0.73 0.93 -0.00 0.00 0.00 178.16 178.36 2cey h GLU 199 N 0.00 0.00 0.00 0.10 5.08 -1.74 -3.37 114.58 114.65 2cey h GLU 199 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2cey h GLU 199 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2cey h GLU 199 CO 0.00 0.73 -0.05 1.33 -1.00 0.00 0.00 179.01 180.03 2cey n VAL 200 N -3.50 1.21 -3.58 3.13 0.24 -0.41 -4.94 118.33 110.47 2cey n VAL 200 Ca -0.00 -1.37 -0.18 0.00 -2.04 0.00 0.00 64.34 60.74 2cey n VAL 200 Cb 0.75 0.22 -0.14 0.00 -1.47 0.00 0.00 33.84 33.20 2cey n VAL 200 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2cey s GLN 201 N -1.64 0.12 -0.04 7.34 -1.52 -0.32 -4.52 119.66 119.08 2cey s GLN 201 Ca 0.14 0.35 0.21 0.00 -1.95 0.00 0.00 55.36 54.10 2cey s GLN 201 Cb 0.12 -0.85 0.66 0.00 -0.22 0.00 0.00 33.01 32.72 2cey s GLN 201 CO 0.01 -0.50 1.56 1.63 -0.25 0.00 0.00 175.29 177.74 2cey n LYS 202 N 5.32 3.00 -4.27 2.91 4.76 -1.20 -4.60 118.16 124.09 2cey n LYS 202 Ca -0.05 -2.65 -0.19 0.00 -2.87 0.00 0.00 58.31 52.55 2cey n LYS 202 Cb 0.50 -1.67 -0.15 0.00 -1.84 0.00 0.00 35.03 31.86 2cey n LYS 202 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2cey s PHE 203 N -1.32 0.77 -0.02 2.13 0.08 -0.97 -0.34 117.98 118.31 2cey s PHE 203 Ca 0.49 -0.19 0.01 0.00 0.12 0.00 0.00 56.93 57.37 2cey s PHE 203 Cb 0.27 -0.58 0.01 0.00 -0.57 0.00 0.00 43.02 42.15 2cey s PHE 203 CO 0.30 -0.10 -0.05 -1.17 -0.10 0.00 0.00 175.22 174.10 2cey s LEU 204 N 0.32 1.66 -0.08 -0.37 2.96 -0.54 -1.02 118.68 121.61 2cey s LEU 204 Ca -0.04 -0.11 0.05 0.00 -0.22 0.00 0.00 54.13 53.80 2cey s LEU 204 Cb -0.09 -0.37 -0.00 0.00 0.50 0.00 0.00 46.19 46.23 2cey s LEU 204 CO 0.00 0.01 -0.24 0.00 -1.32 0.00 0.00 176.35 174.80 2cey s ALA 205 N 0.38 2.14 -1.32 5.97 0.00 0.10 -0.84 121.76 128.19 2cey s ALA 205 Ca -0.05 -0.99 -0.17 0.00 0.00 0.00 0.00 51.96 50.76 2cey s ALA 205 Cb -0.08 -0.74 0.07 0.00 0.00 0.00 0.00 23.12 22.36 2cey s ALA 205 CO -0.00 0.34 1.80 -1.33 0.00 0.00 0.00 175.76 176.57 2cey n MET 206 N 3.29 3.16 0.08 0.00 0.00 -0.36 -2.58 117.12 120.71 2cey n MET 206 Ca -0.18 -3.21 0.12 0.00 0.00 0.00 0.00 57.70 54.43 2cey n MET 206 Cb 0.53 -3.44 0.24 0.00 0.00 0.00 0.00 33.22 30.54 2cey n MET 206 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 2cey h THR 207 N 5.29 0.00 -6.91 2.03 1.35 -1.88 -3.41 112.91 109.38 2cey h THR 207 Ca 0.46 -0.51 -0.58 0.00 -0.55 0.00 0.00 66.41 65.23 2cey h THR 207 Cb 0.83 1.22 -0.24 0.00 -1.73 0.00 0.00 68.15 68.24 2cey h THR 207 CO 1.51 0.00 -0.89 0.59 -0.25 0.00 0.00 175.52 176.48 2cey n ASN 208 N -2.19 -1.62 0.04 5.36 3.02 -1.21 -4.83 115.26 113.84 2cey n ASN 208 Ca 0.04 -1.13 -0.16 0.00 -0.03 0.00 0.00 54.58 53.30 2cey n ASN 208 Cb 0.44 -2.24 -0.14 0.00 -0.61 0.00 0.00 39.78 37.23 2cey n ASN 208 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 2cey h HIS 209 N -1.42 0.38 -3.57 3.10 2.07 -1.91 -3.44 115.15 110.37 2cey h HIS 209 Ca -0.61 -0.28 -0.31 0.00 -2.85 0.00 0.00 60.37 56.31 2cey h HIS 209 Cb 1.39 -0.02 -0.33 0.00 2.57 0.00 0.00 27.41 31.02 2cey h HIS 209 CO 0.61 1.39 -0.74 0.42 -3.07 0.00 0.00 177.93 176.54 2cey s ILE 210 N -2.61 0.10 -0.08 6.12 1.01 -1.26 -1.48 121.20 123.01 2cey s ILE 210 Ca -0.10 0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.65 2cey s ILE 210 Cb 0.07 -0.19 -0.02 0.00 0.01 0.00 0.00 42.46 42.33 2cey s ILE 210 CO 0.83 0.11 -0.13 -0.22 0.00 0.00 0.00 174.94 175.53 2cey s LEU 211 N 0.81 2.75 -0.12 2.97 0.20 -1.26 -0.32 118.68 123.71 2cey s LEU 211 Ca -0.08 -0.23 -0.02 0.00 0.69 0.00 0.00 54.13 54.49 2cey s LEU 211 Cb -0.11 -1.58 -0.03 0.00 -0.43 0.00 0.00 46.19 44.04 2cey s LEU 211 CO -0.02 0.28 -0.06 0.20 -0.29 0.00 0.00 176.35 176.47 2cey s ASN 212 N -0.34 4.66 0.53 3.68 0.02 0.09 -4.83 114.94 118.76 2cey s ASN 212 Ca 0.03 -0.11 0.07 0.00 -1.02 0.00 0.00 52.86 51.84 2cey s ASN 212 Cb -0.13 -1.54 0.05 0.00 0.02 0.00 0.00 41.25 39.65 2cey s ASN 212 CO 0.02 0.24 0.55 1.51 0.02 0.00 0.00 177.10 179.44 2cey s ASP 213 N -0.08 4.89 -0.11 -1.22 -4.77 -1.26 -0.24 116.67 113.88 2cey s ASP 213 Ca 0.01 -1.01 -0.05 0.00 -3.30 0.00 0.00 52.55 48.20 2cey s ASP 213 Cb -0.13 0.21 0.05 0.00 -1.09 0.00 0.00 42.92 41.96 2cey s ASP 213 CO 0.03 -1.12 0.24 -1.58 0.70 0.00 0.00 175.17 173.44 2cey s GLN 214 N -4.40 0.18 -0.19 2.11 2.00 -0.12 -4.44 119.66 114.80 2cey s GLN 214 Ca 0.47 0.57 -0.09 0.00 -2.00 0.00 0.00 55.36 54.31 2cey s GLN 214 Cb -0.04 -0.11 -0.05 0.00 0.80 0.00 0.00 33.01 33.61 2cey s GLN 214 CO 0.29 -0.20 0.12 -0.51 -0.50 0.00 0.00 175.29 174.49 2cey s LEU 215 N 1.56 4.15 -0.69 3.68 1.43 0.26 -0.37 118.68 128.69 2cey s LEU 215 Ca -0.06 0.22 -0.25 0.00 -1.03 0.00 0.00 54.13 53.01 2cey s LEU 215 Cb -0.11 -2.06 0.05 0.00 0.03 0.00 0.00 46.19 44.10 2cey s LEU 215 CO -0.08 0.20 1.12 -0.31 0.23 0.00 0.00 176.35 177.51 2cey s TYR 216 N 0.24 2.48 -0.07 0.29 2.02 -0.30 -1.96 117.35 120.06 2cey s TYR 216 Ca 0.08 -0.27 -0.01 0.00 -0.37 0.00 0.00 57.07 56.50 2cey s TYR 216 Cb -0.11 -4.45 -0.03 0.00 -0.40 0.00 0.00 41.96 36.96 2cey s TYR 216 CO -0.01 -1.85 -0.01 -0.51 -1.57 0.00 0.00 175.55 171.60 2cey s LEU 217 N 4.89 3.49 0.06 -1.29 1.43 -0.30 -0.68 118.68 126.28 2cey s LEU 217 Ca 0.29 0.09 0.09 0.00 -1.03 0.00 0.00 54.13 53.56 2cey s LEU 217 Cb -0.12 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 2cey s LEU 217 CO 0.13 0.36 -0.24 0.54 0.23 0.00 0.00 176.35 177.37 2cey s VAL 218 N -0.91 1.92 0.19 -1.59 0.11 -0.54 -1.72 120.40 117.86 2cey s VAL 218 Ca 0.14 -1.36 -0.31 0.00 -2.93 0.00 0.00 61.98 57.52 2cey s VAL 218 Cb -0.11 -1.67 -0.10 0.00 -1.53 0.00 0.00 36.38 32.97 2cey s VAL 218 CO 0.04 0.24 1.56 -0.55 -3.33 0.00 0.00 175.10 173.06 2cey s SER 219 N -1.35 6.57 0.20 3.54 0.15 0.33 -0.85 113.70 122.29 2cey s SER 219 Ca 0.10 2.67 -0.10 0.00 0.70 0.00 0.00 55.95 59.31 2cey s SER 219 Cb -0.09 -2.60 0.26 0.00 -1.71 0.00 0.00 66.02 61.87 2cey s SER 219 CO 0.02 -0.82 1.75 0.78 1.20 0.00 0.00 173.24 176.17 2cey h ASN 220 N 6.40 0.23 -0.21 5.45 2.35 -1.28 0.16 115.58 128.67 2cey h ASN 220 Ca -0.43 0.07 0.06 0.00 -0.55 0.00 0.00 56.30 55.45 2cey h ASN 220 Cb 1.21 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 2cey h ASN 220 CO 0.89 0.14 0.29 -0.33 -1.65 0.00 0.00 177.43 176.77 2cey h GLU 221 N 0.41 0.00 0.00 0.81 4.39 -1.84 -0.08 114.58 118.27 2cey h GLU 221 Ca 0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.00 2cey h GLU 221 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2cey h GLU 221 CO -0.29 0.00 -0.69 2.41 -1.16 0.00 0.00 179.01 179.28 2cey n THR 222 N -3.59 1.41 -0.20 1.13 -1.04 -0.92 -4.41 114.28 106.66 2cey n THR 222 Ca 0.02 0.20 -0.06 0.00 -2.04 0.00 0.00 64.05 62.17 2cey n THR 222 Cb 0.41 -2.35 0.04 0.00 -1.82 0.00 0.00 70.33 66.61 2cey n THR 222 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 2cey h TYR 223 N -0.97 0.70 0.00 -1.42 3.20 -0.55 -2.22 116.97 115.72 2cey h TYR 223 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2cey h TYR 223 Cb 0.69 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.72 2cey h TYR 223 CO -0.30 0.43 0.00 0.87 -1.64 0.00 0.00 178.16 177.53 2cey h LYS 224 N 0.76 0.00 -0.00 1.82 1.57 -1.22 -2.75 116.57 116.74 2cey h LYS 224 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2cey h LYS 224 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2cey h LYS 224 CO -0.06 0.00 -0.52 0.39 -0.57 0.00 0.00 179.45 178.69 2cey n GLU 225 N -2.49 0.33 -2.51 3.15 -0.58 -0.86 -4.93 120.64 112.74 2cey n GLU 225 Ca 0.03 -0.22 -0.37 0.00 -0.42 0.00 0.00 57.16 56.19 2cey n GLU 225 Cb 0.32 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.66 2cey n GLU 225 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2cey s LEU 226 N -2.82 4.12 0.45 -4.62 1.43 -1.04 -5.02 118.68 111.18 2cey s LEU 226 Ca 0.15 2.06 -0.24 0.00 -1.03 0.00 0.00 54.13 55.07 2cey s LEU 226 Cb 0.18 -4.19 -0.09 0.00 0.03 0.00 0.00 46.19 42.11 2cey s LEU 226 CO 0.67 -0.54 1.13 -2.65 0.23 0.00 0.00 176.35 175.20 2cey n PRO 227 N -0.12 1.56 -0.34 1.29 -0.02 -1.26 -4.66 135.00 131.44 2cey n PRO 227 Ca 0.05 0.56 0.15 0.00 -2.02 0.00 0.00 63.50 62.24 2cey n PRO 227 Cb 0.49 -2.23 0.36 0.00 -0.02 0.00 0.00 33.50 32.11 2cey n PRO 227 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2cey h GLU 228 N 1.64 0.66 -0.68 -0.52 9.09 -1.96 0.47 114.58 123.28 2cey h GLU 228 Ca -0.47 -0.04 -0.05 0.00 0.05 0.00 0.00 59.36 58.85 2cey h GLU 228 Cb 1.32 -0.15 -0.03 0.00 -1.65 0.00 0.00 28.75 28.24 2cey h GLU 228 CO 0.57 0.43 0.23 0.38 0.05 0.00 0.00 179.01 180.68 2cey h ASP 229 N 0.68 0.96 -0.12 3.06 2.03 -2.00 -2.29 116.42 118.73 2cey h ASP 229 Ca 0.58 -0.16 -0.18 0.00 -0.73 0.00 0.00 57.03 56.54 2cey h ASP 229 Cb 1.03 -0.25 -0.00 0.00 -0.83 0.00 0.00 39.33 39.28 2cey h ASP 229 CO -0.38 0.89 -0.60 -0.07 -1.03 0.00 0.00 179.24 178.05 2cey h LEU 230 N 1.00 0.82 -0.67 0.15 4.07 -1.32 -2.49 115.31 116.87 2cey h LEU 230 Ca 0.22 -0.46 0.14 0.00 0.08 0.00 0.00 57.88 57.87 2cey h LEU 230 Cb 0.26 -0.24 -0.11 0.00 1.08 0.00 0.00 40.66 41.66 2cey h LEU 230 CO -0.01 1.23 0.08 1.56 -1.08 0.00 0.00 178.44 180.21 2cey h GLN 231 N 0.54 0.18 -0.62 1.13 4.20 -0.99 -0.61 115.11 118.94 2cey h GLN 231 Ca -0.00 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 2cey h GLN 231 Cb 1.19 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.90 2cey h GLN 231 CO 0.12 0.12 0.15 -0.22 -0.67 0.00 0.00 178.83 178.33 2cey h LYS 232 N 0.18 0.99 -0.55 1.46 3.64 -1.26 -0.64 116.57 120.39 2cey h LYS 232 Ca 0.37 -0.24 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 2cey h LYS 232 Cb 0.61 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 2cey h LYS 232 CO -0.53 0.90 0.32 0.28 -2.27 0.00 0.00 179.45 178.15 2cey h VAL 233 N 0.91 1.02 -0.41 2.00 2.07 -0.91 0.25 116.25 121.18 2cey h VAL 233 Ca 0.19 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 2cey h VAL 233 Cb 0.35 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2cey h VAL 233 CO 0.00 0.11 0.03 0.58 0.02 0.00 0.00 177.57 178.32 2cey h VAL 234 N 0.62 1.25 -0.09 2.57 2.07 -0.79 -1.98 116.25 119.90 2cey h VAL 234 Ca 0.23 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.73 2cey h VAL 234 Cb 0.07 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2cey h VAL 234 CO -0.12 0.32 -0.24 0.50 0.02 0.00 0.00 177.57 178.06 2cey h LYS 235 N 0.54 0.31 -0.46 1.57 1.63 -0.83 -1.13 116.57 118.21 2cey h LYS 235 Ca 0.12 -0.22 0.04 0.00 -0.85 0.00 0.00 60.65 59.74 2cey h LYS 235 Cb 0.43 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.05 2cey h LYS 235 CO 0.01 0.84 0.22 -0.44 -3.45 0.00 0.00 179.45 176.63 2cey h ASP 236 N -0.15 0.30 -0.51 4.20 3.32 -0.55 -1.92 116.42 121.11 2cey h ASP 236 Ca -0.00 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 2cey h ASP 236 Cb 0.85 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 2cey h ASP 236 CO 0.05 0.22 0.31 0.00 -1.72 0.00 0.00 179.24 178.09 2cey h ALA 237 N 1.25 0.66 -0.75 3.45 0.00 -1.27 -0.86 119.26 121.74 2cey h ALA 237 Ca 0.20 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2cey h ALA 237 Cb 0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2cey h ALA 237 CO -0.15 0.15 0.47 0.00 0.00 0.00 0.00 179.25 179.71 2cey h ALA 238 N 1.15 0.98 -0.37 0.00 0.00 -0.97 0.19 119.26 120.24 2cey h ALA 238 Ca 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2cey h ALA 238 Cb -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2cey h ALA 238 CO -0.03 0.26 0.10 0.93 0.00 0.00 0.00 179.25 180.50 2cey h GLU 239 N 0.91 0.58 -0.06 0.00 4.39 -1.18 -0.69 114.58 118.54 2cey h GLU 239 Ca 0.30 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 2cey h GLU 239 Cb 0.03 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2cey h GLU 239 CO -0.12 0.62 0.03 -0.91 -1.16 0.00 0.00 179.01 177.47 2cey h ASN 240 N 0.44 0.08 -0.96 1.42 -0.26 -1.00 -2.16 115.58 113.14 2cey h ASN 240 Ca 0.12 -0.14 0.05 0.00 -0.56 0.00 0.00 56.30 55.77 2cey h ASN 240 Cb 0.29 -0.02 -0.06 0.00 -1.06 0.00 0.00 38.32 37.47 2cey h ASN 240 CO 0.00 0.19 0.63 0.00 -1.06 0.00 0.00 177.43 177.19 2cey h ALA 241 N 0.89 1.42 -0.49 -0.83 0.00 -0.58 -2.60 119.26 117.07 2cey h ALA 241 Ca 0.02 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2cey h ALA 241 Cb 0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2cey h ALA 241 CO -0.00 0.46 -0.11 0.00 0.00 0.00 0.00 179.25 179.59 2cey h ALA 242 N 1.46 0.68 -0.56 0.00 0.00 -0.83 0.89 119.26 120.90 2cey h ALA 242 Ca 0.40 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2cey h ALA 242 Cb 0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2cey h ALA 242 CO -0.14 0.59 0.13 0.87 0.00 0.00 0.00 179.25 180.70 2cey h LYS 243 N 0.81 0.87 -0.18 0.00 1.57 -1.16 -1.44 116.57 117.04 2cey h LYS 243 Ca 0.13 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2cey h LYS 243 Cb 0.67 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2cey h LYS 243 CO 0.05 0.78 0.07 -0.92 -0.57 0.00 0.00 179.45 178.86 2cey h TYR 244 N 0.84 0.27 -0.61 -1.35 3.20 -1.00 -2.53 116.97 115.79 2cey h TYR 244 Ca 0.18 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.13 2cey h TYR 244 Cb 0.31 -0.08 -0.08 0.00 1.54 0.00 0.00 36.73 38.42 2cey h TYR 244 CO 0.02 0.33 0.20 1.25 -1.64 0.00 0.00 178.16 178.32 2cey h HIS 245 N 0.13 0.35 0.01 -3.82 2.76 -0.68 -0.48 115.15 113.42 2cey h HIS 245 Ca 0.06 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2cey h HIS 245 Cb 0.18 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.07 2cey h HIS 245 CO -0.01 0.06 -0.00 1.15 -1.30 0.00 0.00 177.93 177.83 2cey h THR 246 N 0.37 1.07 -0.77 6.26 2.02 -1.22 -2.50 112.91 118.14 2cey h THR 246 Ca 0.31 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 2cey h THR 246 Cb 0.42 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.02 2cey h THR 246 CO -0.34 0.06 0.41 0.50 0.37 0.00 0.00 175.52 176.53 2cey h LYS 247 N -0.11 1.08 -0.97 6.66 3.64 -1.16 -0.51 116.57 125.21 2cey h LYS 247 Ca -0.00 -0.13 0.04 0.00 -1.27 0.00 0.00 60.65 59.30 2cey h LYS 247 Cb 0.11 -0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 31.66 2cey h LYS 247 CO 0.00 0.80 0.63 -0.07 -2.27 0.00 0.00 179.45 178.54 2cey h LEU 248 N 1.08 1.04 -0.11 5.20 3.38 -0.76 -0.17 115.31 124.96 2cey h LEU 248 Ca 0.27 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.06 2cey h LEU 248 Cb 0.04 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.57 2cey h LEU 248 CO -0.04 0.70 -0.63 -0.26 0.09 0.00 0.00 178.44 178.30 2cey h PHE 249 N 1.20 0.85 -0.01 1.13 0.04 -0.87 0.31 116.94 119.58 2cey h PHE 249 Ca 0.39 -0.38 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 2cey h PHE 249 Cb 0.05 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.08 2cey h PHE 249 CO -0.00 1.18 -0.00 0.28 -0.60 0.00 0.00 178.31 179.17 2cey h VAL 250 N 0.27 1.27 -0.37 -0.55 2.07 -0.97 -0.23 116.25 117.74 2cey h VAL 250 Ca -0.05 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.62 2cey h VAL 250 Cb 1.27 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 2cey h VAL 250 CO 0.13 0.21 0.04 0.44 0.02 0.00 0.00 177.57 178.41 2cey h ASP 251 N -0.32 0.60 -0.57 0.57 3.32 -1.13 -2.69 116.42 116.21 2cey h ASP 251 Ca 0.00 -0.27 0.07 0.00 0.02 0.00 0.00 57.03 56.84 2cey h ASP 251 Cb 0.34 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 2cey h ASP 251 CO 0.00 0.72 0.38 1.23 -1.72 0.00 0.00 179.24 179.85 2cey h GLY 252 N 0.46 0.64 1.16 2.75 0.00 -0.71 -0.79 103.07 106.58 2cey h GLY 252 Ca 0.11 -0.20 -0.21 0.00 0.00 0.00 0.00 47.33 47.03 2cey h GLY 252 CO 0.01 0.15 -0.67 0.83 0.00 0.00 0.00 176.54 176.87 2cey h GLU 253 N 0.51 0.83 -0.03 4.80 5.08 -0.90 -0.48 114.58 124.41 2cey h GLU 253 Ca 0.25 -0.61 -0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2cey h GLU 253 Cb 0.32 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2cey h GLU 253 CO -0.07 1.23 0.00 0.87 -1.00 0.00 0.00 179.01 180.04 2cey h LYS 254 N 0.60 0.05 -0.91 2.33 1.57 -1.11 -2.04 116.57 117.05 2cey h LYS 254 Ca -0.02 -0.01 0.18 0.00 -1.87 0.00 0.00 60.65 58.92 2cey h LYS 254 Cb 1.29 -0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.49 2cey h LYS 254 CO 0.14 0.33 0.49 -0.44 -0.57 0.00 0.00 179.45 179.40 2cey h ASP 255 N -0.24 0.59 0.13 0.86 3.32 -1.12 -2.63 116.42 117.34 2cey h ASP 255 Ca 0.01 0.11 -0.17 0.00 0.02 0.00 0.00 57.03 56.99 2cey h ASP 255 Cb 0.31 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2cey h ASP 255 CO 0.00 0.20 -0.63 -0.07 -1.72 0.00 0.00 179.24 177.02 2cey h LEU 256 N 0.63 0.55 -0.37 1.55 3.38 -0.83 -1.42 115.31 118.80 2cey h LEU 256 Ca 0.52 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 58.22 2cey h LEU 256 Cb 0.83 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 2cey h LEU 256 CO -0.40 1.04 0.12 0.58 0.09 0.00 0.00 178.44 179.87 2cey h VAL 257 N 0.35 0.89 -0.76 1.22 2.07 -1.05 0.67 116.25 119.64 2cey h VAL 257 Ca -0.01 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2cey h VAL 257 Cb 1.19 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 2cey h VAL 257 CO 0.11 0.05 0.46 0.74 0.02 0.00 0.00 177.57 178.95 2cey h THR 258 N 0.27 1.21 -0.30 2.57 2.02 -1.27 -2.34 112.91 115.08 2cey h THR 258 Ca 0.17 -0.46 -0.07 0.00 0.77 0.00 0.00 66.41 66.81 2cey h THR 258 Cb 0.15 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 2cey h THR 258 CO -0.18 0.22 -0.08 0.15 0.37 0.00 0.00 175.52 176.00 2cey h PHE 259 N 1.04 0.67 -0.51 3.16 3.57 -1.05 -2.03 116.94 121.79 2cey h PHE 259 Ca 0.27 -0.15 0.05 0.00 3.53 0.00 0.00 57.97 61.68 2cey h PHE 259 Cb -0.04 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.49 2cey h PHE 259 CO -0.01 0.78 0.23 0.74 -2.23 0.00 0.00 178.31 177.83 2cey h PHE 260 N 0.36 0.43 -0.66 0.41 0.04 -0.80 -1.15 116.94 115.58 2cey h PHE 260 Ca 0.08 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.91 2cey h PHE 260 Cb 0.57 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 38.56 2cey h PHE 260 CO 0.05 0.19 0.38 0.93 -0.60 0.00 0.00 178.31 179.27 2cey h GLU 261 N 0.46 0.71 -0.96 1.51 5.08 -1.34 -0.02 114.58 120.01 2cey h GLU 261 Ca 0.23 -0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.73 2cey h GLU 261 Cb 0.18 -0.16 -0.09 0.00 0.50 0.00 0.00 28.75 29.18 2cey h GLU 261 CO -0.19 0.47 0.61 0.87 -1.00 0.00 0.00 179.01 179.77 2cey h LYS 262 N 0.73 0.64 -0.04 2.33 1.57 -0.49 -0.92 116.57 120.39 2cey h LYS 262 Ca 0.28 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2cey h LYS 262 Cb 0.10 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2cey h LYS 262 CO -0.14 0.42 0.00 1.04 -0.57 0.00 0.00 179.45 180.20 2cey n GLN 263 N -4.64 1.14 -0.07 3.15 1.13 -0.13 -4.89 117.38 113.06 2cey n GLN 263 Ca 0.21 -0.21 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2cey n GLN 263 Cb 0.59 -1.25 0.00 0.00 0.11 0.00 0.00 30.24 29.69 2cey n GLN 263 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2cey n GLY 264 N 0.79 0.73 3.77 1.08 0.00 -0.35 -4.94 105.19 106.28 2cey n GLY 264 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 2cey n GLY 264 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cey s VAL 265 N -2.08 4.31 -0.16 1.61 1.01 -0.55 -4.87 120.40 119.68 2cey s VAL 265 Ca 0.00 1.78 -0.06 0.00 0.00 0.00 0.00 61.98 63.71 2cey s VAL 265 Cb 0.00 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 2cey s VAL 265 CO 0.00 0.52 0.02 -0.54 0.00 0.00 0.00 175.10 175.10 2cey s LYS 266 N -1.13 3.77 -0.15 2.72 -0.14 0.54 -3.96 119.74 121.39 2cey s LYS 266 Ca 0.37 -0.41 -0.10 0.00 -1.36 0.00 0.00 55.97 54.48 2cey s LYS 266 Cb -0.24 -3.07 -0.05 0.00 -1.68 0.00 0.00 37.83 32.80 2cey s LYS 266 CO 0.27 0.32 0.18 0.42 -0.76 0.00 0.00 175.35 175.78 2cey s ILE 267 N 0.21 5.41 0.31 2.17 -1.09 -1.26 -1.47 121.20 125.48 2cey s ILE 267 Ca 0.02 0.29 0.11 0.00 -2.23 0.00 0.00 60.65 58.84 2cey s ILE 267 Cb -0.13 -3.48 -0.06 0.00 -1.58 0.00 0.00 42.46 37.22 2cey s ILE 267 CO 0.01 0.52 -0.13 0.42 -1.23 0.00 0.00 174.94 174.54 2cey s THR 268 N -0.34 2.42 -0.49 2.92 -4.23 -0.02 -4.96 115.64 110.95 2cey s THR 268 Ca 0.13 -2.27 0.08 0.00 -1.18 0.00 0.00 61.69 58.45 2cey s THR 268 Cb -0.12 -2.52 0.27 0.00 1.34 0.00 0.00 72.50 71.48 2cey s THR 268 CO 0.03 -0.29 0.67 1.41 -0.54 0.00 0.00 174.62 175.89 2cey n HIS 269 N -0.73 1.49 -2.27 3.99 -0.00 -1.26 -1.22 115.22 115.21 2cey n HIS 269 Ca -0.05 -3.84 -0.36 0.00 -0.00 0.00 0.00 57.72 53.48 2cey n HIS 269 Cb 0.62 -0.44 -0.00 0.00 -0.00 0.00 0.00 29.99 30.16 2cey n HIS 269 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2cey s PRO 270 N -2.04 3.49 -0.14 -0.41 0.04 -1.26 -4.93 135.00 129.75 2cey s PRO 270 Ca 0.39 1.65 -0.29 0.00 0.04 0.00 0.00 61.00 62.79 2cey s PRO 270 Cb 0.20 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 2cey s PRO 270 CO -0.08 -0.75 2.00 0.34 0.04 0.00 0.00 177.00 178.56 2cey s ASP 271 N -1.66 5.97 0.00 6.66 -1.08 -1.26 -4.88 116.67 120.42 2cey s ASP 271 Ca 0.70 2.06 0.28 0.00 -0.52 0.00 0.00 52.55 55.07 2cey s ASP 271 Cb -0.25 -2.52 1.07 0.00 -1.46 0.00 0.00 42.92 39.75 2cey s ASP 271 CO 0.29 -1.52 1.75 0.18 0.52 0.00 0.00 175.17 176.39 2cey n LEU 272 N 9.67 1.20 0.03 -1.34 4.77 -1.26 -4.24 117.00 125.84 2cey n LEU 272 Ca 0.24 -0.37 -0.10 0.00 -0.03 0.00 0.00 56.01 55.74 2cey n LEU 272 Cb 0.44 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 2cey n LEU 272 CO 0.66 0.21 0.79 0.58 -1.33 0.00 0.00 177.39 178.30 2cey h VAL 273 N 1.79 0.70 0.00 4.08 2.07 -2.00 -1.28 116.25 121.62 2cey h VAL 273 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 2cey h VAL 273 Cb 0.45 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2cey h VAL 273 CO 0.00 0.00 -0.38 -0.65 0.02 0.00 0.00 177.57 176.56 2cey h PRO 274 N -0.17 0.00 0.60 1.57 0.11 -1.99 -0.62 132.00 131.50 2cey h PRO 274 Ca 0.06 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 2cey h PRO 274 Cb 0.25 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.36 2cey h PRO 274 CO -0.15 0.38 -0.29 0.74 -0.21 0.00 0.00 178.00 178.47 2cey h PHE 275 N 0.00 -0.76 -0.24 0.65 0.04 -1.68 -1.53 116.94 113.42 2cey h PHE 275 Ca -0.00 -0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.79 2cey h PHE 275 Cb 0.76 0.25 -0.04 0.00 2.20 0.00 0.00 35.95 39.13 2cey h PHE 275 CO 0.00 -0.47 -0.00 -0.22 -0.60 0.00 0.00 178.31 177.01 2cey h LYS 276 N -0.82 0.07 -0.97 1.51 3.64 -1.12 -2.82 116.57 116.06 2cey h LYS 276 Ca -0.08 -0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.45 2cey h LYS 276 Cb 0.63 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.35 2cey h LYS 276 CO 0.13 0.04 0.61 1.49 -2.27 0.00 0.00 179.45 179.46 2cey h GLU 277 N 0.07 0.78 0.00 1.90 4.57 -1.11 -1.79 114.58 119.00 2cey h GLU 277 Ca 0.11 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 2cey h GLU 277 Cb 0.15 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 2cey h GLU 277 CO -0.19 0.52 -0.03 0.66 -1.18 0.00 0.00 179.01 178.78 2cey h SER 278 N 0.81 0.00 0.82 1.04 4.64 -1.01 -2.98 113.55 116.87 2cey h SER 278 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 2cey h SER 278 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2cey h SER 278 CO -0.27 0.03 0.00 0.23 -0.87 0.00 0.00 176.83 175.95 2cey n MET 279 N -3.16 0.05 -0.36 4.77 2.81 -0.67 -4.30 117.12 116.26 2cey n MET 279 Ca -0.00 0.17 0.11 0.00 -1.81 0.00 0.00 57.70 56.17 2cey n MET 279 Cb 0.27 -1.58 0.29 0.00 -0.71 0.00 0.00 33.22 31.50 2cey n MET 279 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2cey h LYS 280 N 0.00 0.83 0.00 0.03 1.57 -1.67 0.19 116.57 117.52 2cey h LYS 280 Ca 0.00 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 2cey h LYS 280 Cb 0.41 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2cey h LYS 280 CO 0.00 0.55 -0.21 -1.35 -0.57 0.00 0.00 179.45 177.87 2cey h PRO 281 N 0.86 0.00 -0.00 3.15 0.11 -1.87 -1.76 132.00 132.48 2cey h PRO 281 Ca 0.55 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.48 2cey h PRO 281 Cb 0.74 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 2cey h PRO 281 CO -0.34 0.21 -0.81 -0.92 -0.21 0.00 0.00 178.00 175.94 2cey h TYR 282 N 0.00 0.16 -0.47 0.65 3.20 -0.94 -2.46 116.97 117.11 2cey h TYR 282 Ca -0.00 -0.08 -0.09 0.00 3.14 0.00 0.00 58.73 61.69 2cey h TYR 282 Cb 0.50 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 2cey h TYR 282 CO 0.00 0.87 -0.07 1.88 -1.64 0.00 0.00 178.16 179.20 2cey h TYR 283 N 0.06 0.90 -0.34 -3.82 0.05 -1.05 0.24 116.97 113.02 2cey h TYR 283 Ca -0.02 -0.15 -0.05 0.00 0.05 0.00 0.00 58.73 58.55 2cey h TYR 283 Cb 1.41 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.91 2cey h TYR 283 CO 0.02 0.86 0.01 0.00 -1.05 0.00 0.00 178.16 178.00 2cey h ALA 284 N 1.16 0.45 -0.83 3.88 0.00 -1.30 -1.25 119.26 121.37 2cey h ALA 284 Ca 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2cey h ALA 284 Cb 0.56 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2cey h ALA 284 CO 0.03 0.19 0.43 1.49 0.00 0.00 0.00 179.25 181.40 2cey h GLU 285 N 0.39 1.17 -0.60 0.00 4.22 -1.31 0.39 114.58 118.84 2cey h GLU 285 Ca 0.10 -0.15 0.02 0.00 0.08 0.00 0.00 59.36 59.41 2cey h GLU 285 Cb 0.43 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 2cey h GLU 285 CO 0.01 0.87 0.38 0.35 -2.18 0.00 0.00 179.01 178.45 2cey h PHE 286 N 1.17 0.71 -0.27 0.92 3.57 -0.21 -2.15 116.94 120.68 2cey h PHE 286 Ca 0.29 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.67 2cey h PHE 286 Cb 0.06 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 2cey h PHE 286 CO 0.01 0.42 -0.42 0.28 -2.23 0.00 0.00 178.31 176.38 2cey h VAL 287 N 0.76 1.29 -0.21 1.41 2.07 -0.87 -0.61 116.25 120.10 2cey h VAL 287 Ca 0.23 -1.59 0.02 0.00 0.82 0.00 0.00 66.70 66.18 2cey h VAL 287 Cb -0.02 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2cey h VAL 287 CO -0.08 0.51 0.09 0.50 0.02 0.00 0.00 177.57 178.61 2cey h LYS 288 N 0.54 0.20 0.10 1.57 3.11 -0.81 0.18 116.57 121.46 2cey h LYS 288 Ca 0.04 -0.01 -0.28 0.00 -2.81 0.00 0.00 60.65 57.59 2cey h LYS 288 Cb 0.95 -0.04 0.02 0.00 -1.00 0.00 0.00 32.23 32.15 2cey h LYS 288 CO 0.09 0.13 -1.18 1.96 -2.81 0.00 0.00 179.45 177.64 2cey h GLN 289 N 0.20 0.49 -0.01 1.90 4.20 -1.27 -3.34 115.11 117.29 2cey h GLN 289 Ca 0.09 -0.66 0.00 0.00 0.06 0.00 0.00 58.65 58.14 2cey h GLN 289 Cb 0.04 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2cey h GLN 289 CO -0.07 1.28 -0.73 0.25 -0.67 0.00 0.00 178.83 178.88 2cey n THR 290 N -3.72 0.00 -3.30 -0.54 -2.24 -0.25 -5.07 114.28 99.16 2cey n THR 290 Ca -0.11 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2cey n THR 290 Cb 0.96 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 70.30 2cey n THR 290 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cey n GLY 291 N 1.43 -1.90 0.32 3.38 0.00 0.64 -2.97 105.19 106.09 2cey n GLY 291 Ca 0.06 -1.51 0.12 0.00 0.00 0.00 0.00 46.02 44.69 2cey n GLY 291 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2cey h GLN 292 N 0.00 0.48 -0.90 1.61 -0.00 -1.95 0.03 115.11 114.38 2cey h GLN 292 Ca 0.00 -0.03 0.10 0.00 -0.00 0.00 0.00 58.65 58.72 2cey h GLN 292 Cb 0.00 -0.11 -0.07 0.00 -0.00 0.00 0.00 27.48 27.31 2cey h GLN 292 CO 0.00 0.32 0.58 0.87 -0.00 0.00 0.00 178.83 180.60 2cey h LYS 293 N 0.50 0.88 0.08 0.06 1.57 -1.96 0.19 116.57 117.88 2cey h LYS 293 Ca 0.53 -0.05 -0.27 0.00 -1.87 0.00 0.00 60.65 58.99 2cey h LYS 293 Cb 0.93 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 2cey h LYS 293 CO -0.46 0.58 -1.31 0.78 -0.57 0.00 0.00 179.45 178.47 2cey h GLY 294 N 0.91 0.19 0.65 3.86 0.00 -0.92 -2.85 103.07 104.91 2cey h GLY 294 Ca 0.42 -0.50 0.03 0.00 0.00 0.00 0.00 47.33 47.28 2cey h GLY 294 CO -0.18 0.44 -0.06 -2.09 0.00 0.00 0.00 176.54 174.64 2cey h GLU 295 N 0.05 -0.05 -0.68 4.80 4.81 -1.02 -2.32 114.58 120.17 2cey h GLU 295 Ca -0.15 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.13 2cey h GLU 295 Cb 1.94 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 31.28 2cey h GLU 295 CO 0.16 -0.03 0.40 1.03 -0.73 0.00 0.00 179.01 179.84 2cey h SER 296 N -0.05 0.62 -0.24 1.04 0.87 -0.72 -2.18 113.55 112.89 2cey h SER 296 Ca 0.08 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 2cey h SER 296 Cb 0.17 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 2cey h SER 296 CO -0.17 0.41 0.07 0.00 -0.53 0.00 0.00 176.83 176.62 2cey h ALA 297 N 1.32 0.32 -0.52 6.23 0.00 -1.36 -1.89 119.26 123.36 2cey h ALA 297 Ca 0.29 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2cey h ALA 297 Cb 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2cey h ALA 297 CO -0.15 -0.05 0.29 1.25 0.00 0.00 0.00 179.25 180.59 2cey h LEU 298 N 0.23 0.43 -0.63 0.00 6.46 -1.24 -1.86 115.31 118.70 2cey h LEU 298 Ca 0.08 0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 57.75 2cey h LEU 298 Cb 0.24 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.09 2cey h LEU 298 CO -0.00 0.30 -0.06 0.50 -0.62 0.00 0.00 178.44 178.56 2cey h LYS 299 N 0.56 1.02 -0.90 1.25 1.63 -1.25 -1.34 116.57 117.53 2cey h LYS 299 Ca 0.22 -0.35 -0.02 0.00 -0.85 0.00 0.00 60.65 59.66 2cey h LYS 299 Cb 0.10 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.60 2cey h LYS 299 CO -0.13 1.03 0.50 1.96 -3.45 0.00 0.00 179.45 179.36 2cey h GLN 300 N 0.92 1.25 0.10 1.90 4.20 -1.10 -3.16 115.11 119.21 2cey h GLN 300 Ca 0.15 -0.14 -0.27 0.00 0.06 0.00 0.00 58.65 58.45 2cey h GLN 300 Cb 0.61 -0.25 0.01 0.00 0.30 0.00 0.00 27.48 28.16 2cey h GLN 300 CO 0.04 0.91 -1.16 0.82 -0.67 0.00 0.00 178.83 178.77 2cey h ILE 301 N 1.26 1.42 -3.28 2.54 2.04 -0.79 -3.33 117.51 117.37 2cey h ILE 301 Ca 0.32 -2.74 -0.53 0.00 1.00 0.00 0.00 64.86 62.91 2cey h ILE 301 Cb 0.02 2.74 0.02 0.00 -0.74 0.00 0.00 36.82 38.86 2cey h ILE 301 CO -0.05 0.81 0.60 -1.83 0.00 0.00 0.00 178.15 177.68 2cey s GLU 302 N -2.91 4.43 0.00 2.37 -1.05 -0.56 -2.81 118.70 118.17 2cey s GLU 302 Ca -0.06 1.90 0.00 0.00 -0.15 0.00 0.00 54.97 56.66 2cey s GLU 302 Cb 0.07 -3.27 0.00 0.00 -0.44 0.00 0.00 34.13 30.49 2cey s GLU 302 CO 0.89 -0.23 0.00 0.00 0.95 0.00 0.00 175.26 176.87 2cey n ALA 303 N 3.26 0.00 -1.36 -0.84 0.00 -1.26 -4.82 120.51 115.49 2cey n ALA 303 Ca 0.07 0.00 -0.52 0.00 0.00 0.00 0.00 53.44 52.99 2cey n ALA 303 Cb 0.44 -0.03 -0.12 0.00 0.00 0.00 0.00 19.45 19.75 2cey n ALA 303 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2cey n ILE 304 N -2.78 0.03 -2.46 0.00 5.41 -1.12 -5.09 119.36 113.34 2cey n ILE 304 Ca 0.00 -0.08 -0.43 0.00 1.00 0.00 0.00 62.75 63.24 2cey n ILE 304 Cb 0.00 -0.80 -0.02 0.00 -0.71 0.00 0.00 39.64 38.10 2cey n ILE 304 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2cey s ASN 305 N 7.30 6.98 0.00 4.38 4.22 -1.26 -5.05 114.94 131.51 2cey s ASN 305 Ca 1.21 1.66 0.00 0.00 -2.14 0.00 0.00 52.86 53.60 2cey s ASN 305 Cb -1.26 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 38.72 2cey s ASN 305 CO 0.57 -0.72 0.37 -2.65 -2.04 0.00 0.00 177.10 172.63