#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aes s VAL 5 N 0.00 4.08 -0.33 4.08 1.01 -1.26 -4.81 120.40 123.16 1aes s VAL 5 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 1aes s VAL 5 Cb 0.00 -2.80 0.07 0.00 0.00 0.00 0.00 36.38 33.65 1aes s VAL 5 CO 0.00 0.48 0.06 -1.00 0.00 0.00 0.00 175.10 174.65 1aes s HIS 6 N 0.38 3.37 -0.21 5.22 3.76 -1.26 -5.05 115.29 121.51 1aes s HIS 6 Ca -0.03 -2.04 -0.17 0.00 -0.15 0.00 0.00 55.06 52.67 1aes s HIS 6 Cb -0.14 -2.45 -0.04 0.00 1.11 0.00 0.00 32.58 31.07 1aes s HIS 6 CO 0.02 -0.85 0.45 0.08 -0.85 0.00 0.00 174.74 173.59 1aes s VAL 7 N 1.22 5.15 0.29 -0.90 1.01 -1.26 -0.11 120.40 125.79 1aes s VAL 7 Ca -0.01 0.80 -0.30 0.00 0.00 0.00 0.00 61.98 62.47 1aes s VAL 7 Cb -0.20 -3.77 -0.11 0.00 0.00 0.00 0.00 36.38 32.29 1aes s VAL 7 CO -0.02 0.20 1.60 0.00 0.00 0.00 0.00 175.10 176.88 1aes s ALA 8 N 1.56 3.75 -0.20 5.51 0.00 -0.27 -4.85 121.76 127.26 1aes s ALA 8 Ca 0.21 1.57 -0.01 0.00 0.00 0.00 0.00 51.96 53.72 1aes s ALA 8 Cb -0.15 -3.65 0.06 0.00 0.00 0.00 0.00 23.12 19.38 1aes s ALA 8 CO 0.09 -0.98 -0.01 0.45 0.00 0.00 0.00 175.76 175.31 1aes s SER 9 N 0.52 3.24 0.16 0.00 0.15 -0.08 -4.75 113.70 112.94 1aes s SER 9 Ca 0.64 -0.92 -0.33 0.00 0.70 0.00 0.00 55.95 56.03 1aes s SER 9 Cb -0.48 -0.87 -0.13 0.00 -1.71 0.00 0.00 66.02 62.83 1aes s SER 9 CO 0.47 -0.26 1.63 0.52 1.20 0.00 0.00 173.24 176.81 1aes n VAL 10 N 4.87 0.03 -1.56 4.45 0.31 -1.26 -4.34 118.33 120.84 1aes n VAL 10 Ca -0.11 -0.01 -0.54 0.00 -0.01 0.00 0.00 64.34 63.67 1aes n VAL 10 Cb 0.46 -1.67 -0.07 0.00 -0.91 0.00 0.00 33.84 31.66 1aes n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1aes n GLU 11 N 3.72 0.74 -1.69 5.55 4.71 -1.26 -4.69 120.64 127.73 1aes n GLU 11 Ca 0.17 0.27 -0.56 0.00 -0.01 0.00 0.00 57.16 57.03 1aes n GLU 11 Cb 0.30 -1.86 -0.07 0.00 -1.01 0.00 0.00 31.44 28.81 1aes n GLU 11 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1aes n LYS 12 N 2.15 1.26 -0.47 3.49 3.00 -1.26 -2.12 118.16 124.20 1aes n LYS 12 Ca 0.19 0.46 0.00 0.00 -0.00 0.00 0.00 58.31 58.96 1aes n LYS 12 Cb 0.15 -2.15 0.00 0.00 0.00 0.00 0.00 35.03 33.03 1aes n LYS 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1aes n GLY 13 N 3.89 1.40 3.80 3.14 0.00 -1.26 -5.00 105.19 111.17 1aes n GLY 13 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 1aes n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aes s ARG 14 N -0.14 3.97 0.00 1.61 1.81 -0.90 -5.07 118.95 120.22 1aes s ARG 14 Ca 0.00 1.32 0.00 0.00 -1.72 0.00 0.00 55.73 55.33 1aes s ARG 14 Cb 0.00 -2.18 0.00 0.00 -0.45 0.00 0.00 34.95 32.32 1aes s ARG 14 CO 0.00 -0.28 0.00 -1.13 -0.68 0.00 0.00 175.30 173.21 1aes n SER 15 N -0.75 0.10 -0.31 0.23 3.41 -1.26 -4.92 113.62 110.13 1aes n SER 15 Ca 0.08 -0.89 0.02 0.00 -0.26 0.00 0.00 58.87 57.82 1aes n SER 15 Cb 0.52 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.56 1aes n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1aes h TYR 16 N 0.89 -0.63 -0.98 7.33 3.20 -2.00 -1.81 116.97 122.97 1aes h TYR 16 Ca 0.00 0.08 0.09 0.00 3.14 0.00 0.00 58.73 62.04 1aes h TYR 16 Cb 0.00 0.41 -0.07 0.00 1.54 0.00 0.00 36.73 38.60 1aes h TYR 16 CO 0.00 -0.38 0.63 0.93 -1.64 0.00 0.00 178.16 177.70 1aes h GLU 17 N -0.02 1.02 -0.02 1.82 3.07 -1.99 0.15 114.58 118.62 1aes h GLU 17 Ca 0.38 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 59.18 1aes h GLU 17 Cb 0.62 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1aes h GLU 17 CO -0.88 0.68 0.01 -0.44 -1.40 0.00 0.00 179.01 176.97 1aes h ASP 18 N 1.05 0.02 0.44 1.42 3.32 -1.73 -2.68 116.42 118.27 1aes h ASP 18 Ca 0.45 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 57.22 1aes h ASP 18 Cb 0.33 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1aes h ASP 18 CO -0.21 0.22 -0.42 -0.26 -1.72 0.00 0.00 179.24 176.85 1aes h PHE 19 N -0.17 0.00 -0.07 4.55 0.04 -1.30 -2.17 116.94 117.83 1aes h PHE 19 Ca 0.01 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 1aes h PHE 19 Cb 0.20 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 1aes h PHE 19 CO -0.01 0.42 -0.22 0.37 -0.60 0.00 0.00 178.31 178.27 1aes h GLN 20 N 0.00 0.12 -0.34 1.51 5.75 -0.94 -0.15 115.11 121.07 1aes h GLN 20 Ca -0.00 -0.03 -0.17 0.00 -0.15 0.00 0.00 58.65 58.29 1aes h GLN 20 Cb 0.75 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.28 1aes h GLN 20 CO 0.05 0.34 -0.46 0.87 -2.65 0.00 0.00 178.83 176.98 1aes h LYS 21 N 0.11 0.90 0.04 1.69 1.57 -1.04 -0.17 116.57 119.67 1aes h LYS 21 Ca 0.02 -0.52 -0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1aes h LYS 21 Cb 0.46 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1aes h LYS 21 CO 0.03 1.17 -0.02 0.28 -0.57 0.00 0.00 179.45 180.34 1aes h VAL 22 N 0.71 1.01 -0.46 0.50 2.07 -1.29 -1.10 116.25 117.70 1aes h VAL 22 Ca 0.04 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.51 1aes h VAL 22 Cb 1.06 1.10 -0.09 0.00 -1.52 0.00 0.00 31.29 31.84 1aes h VAL 22 CO 0.11 0.04 -0.20 0.22 0.02 0.00 0.00 177.57 177.75 1aes h TYR 23 N -0.12 -0.50 -0.67 1.57 5.03 -0.93 -1.25 116.97 120.10 1aes h TYR 23 Ca -0.01 0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.34 1aes h TYR 23 Cb 0.10 0.29 -0.03 0.00 1.55 0.00 0.00 36.73 38.64 1aes h TYR 23 CO -0.06 -0.29 0.37 -0.91 -1.32 0.00 0.00 178.16 175.96 1aes h ASN 24 N -0.11 0.82 -0.50 -2.11 -0.26 -0.89 -0.24 115.58 112.28 1aes h ASN 24 Ca 0.22 -0.06 -0.02 0.00 -0.56 0.00 0.00 56.30 55.88 1aes h ASN 24 Cb 0.44 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.47 1aes h ASN 24 CO -0.53 0.65 0.23 0.00 -1.06 0.00 0.00 177.43 176.73 1aes h ALA 25 N 1.48 0.65 0.16 -0.83 0.00 -0.57 -0.00 119.26 120.15 1aes h ALA 25 Ca 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1aes h ALA 25 Cb 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1aes h ALA 25 CO -0.04 0.22 -0.08 0.82 0.00 0.00 0.00 179.25 180.17 1aes h ILE 26 N 0.66 0.94 -0.91 0.00 2.04 -0.77 -2.72 117.51 116.75 1aes h ILE 26 Ca 0.17 -0.49 0.13 0.00 1.00 0.00 0.00 64.86 65.67 1aes h ILE 26 Cb 0.14 1.24 -0.09 0.00 -0.74 0.00 0.00 36.82 37.37 1aes h ILE 26 CO -0.02 0.11 0.53 0.00 0.00 0.00 0.00 178.15 178.77 1aes h ALA 27 N 0.33 1.36 -0.70 1.87 0.00 -0.98 -0.83 119.26 120.32 1aes h ALA 27 Ca -0.02 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1aes h ALA 27 Cb 0.36 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1aes h ALA 27 CO 0.04 0.07 0.18 -0.07 0.00 0.00 0.00 179.25 179.46 1aes h LEU 28 N 0.80 1.05 -0.72 0.00 4.07 -0.91 -2.08 115.31 117.52 1aes h LEU 28 Ca 0.47 -0.21 -0.13 0.00 0.08 0.00 0.00 57.88 58.08 1aes h LEU 28 Cb 0.55 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 1aes h LEU 28 CO -0.30 1.00 -0.64 0.50 -1.08 0.00 0.00 178.44 177.92 1aes h LYS 29 N 1.06 0.00 -0.66 1.13 3.64 -1.15 -1.00 116.57 119.60 1aes h LYS 29 Ca 0.22 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1aes h LYS 29 Cb 0.35 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1aes h LYS 29 CO -0.00 0.64 0.39 -0.07 -2.27 0.00 0.00 179.45 178.14 1aes h LEU 30 N 0.00 0.78 -0.16 5.20 3.38 -0.62 0.03 115.31 123.93 1aes h LEU 30 Ca -0.01 -0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.71 1aes h LEU 30 Cb 1.14 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.70 1aes h LEU 30 CO 0.08 0.61 -0.72 -0.09 0.09 0.00 0.00 178.44 178.41 1aes h ARG 31 N 0.90 0.77 0.24 1.13 2.43 -1.13 -3.39 114.38 115.34 1aes h ARG 31 Ca 0.24 -0.62 -0.01 0.00 -0.81 0.00 0.00 59.98 58.78 1aes h ARG 31 Cb -0.03 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1aes h ARG 31 CO -0.04 1.23 -0.11 1.49 -1.51 0.00 0.00 179.97 181.02 1aes h GLU 32 N 0.50 -0.31 -3.45 0.20 4.81 -0.91 -3.35 114.58 112.07 1aes h GLU 32 Ca -0.05 0.02 -0.72 0.00 -0.13 0.00 0.00 59.36 58.49 1aes h GLU 32 Cb 1.35 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.73 1aes h GLU 32 CO 0.15 -0.01 2.87 -0.25 -0.73 0.00 0.00 179.01 181.04 1aes n ASP 33 N -4.99 5.82 -0.09 1.04 8.00 -0.03 -4.66 116.55 121.64 1aes n ASP 33 Ca -0.07 -2.91 0.15 0.00 0.71 0.00 0.00 54.79 52.67 1aes n ASP 33 Cb 0.23 -1.54 0.72 0.00 -0.02 0.00 0.00 41.12 40.50 1aes n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1aes n ASP 34 N 4.32 0.34 0.04 -2.24 5.75 -1.26 -3.92 116.55 119.58 1aes n ASP 34 Ca 0.55 -0.65 0.12 0.00 -0.01 0.00 0.00 54.79 54.81 1aes n ASP 34 Cb 0.33 -0.10 0.26 0.00 -1.03 0.00 0.00 41.12 40.59 1aes n ASP 34 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1aes n GLU 35 N -0.95 0.18 -1.69 0.11 0.00 -1.26 -4.03 120.64 113.00 1aes n GLU 35 Ca 0.17 0.07 -0.43 0.00 0.00 0.00 0.00 57.16 56.96 1aes n GLU 35 Cb 0.24 -1.63 -0.01 0.00 0.00 0.00 0.00 31.44 30.03 1aes n GLU 35 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 1aes n TYR 36 N -1.90 2.27 -3.59 -1.84 9.36 -1.25 -2.73 117.16 117.48 1aes n TYR 36 Ca 0.04 0.49 -0.25 0.00 3.32 0.00 0.00 57.90 61.51 1aes n TYR 36 Cb 0.40 -2.44 0.03 0.00 -0.63 0.00 0.00 39.34 36.70 1aes n TYR 36 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1aes n ASP 37 N 1.35 -5.69 -4.10 2.98 2.03 -1.26 -0.89 116.55 110.96 1aes n ASP 37 Ca 0.07 -0.85 -0.31 0.00 0.52 0.00 0.00 54.79 54.22 1aes n ASP 37 Cb 0.34 -3.43 -0.04 0.00 -0.72 0.00 0.00 41.12 37.27 1aes n ASP 37 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1aes n ASN 38 N -2.52 -0.76 -0.68 1.67 4.13 -1.23 -2.00 115.26 113.86 1aes n ASN 38 Ca -0.11 -1.17 -0.09 0.00 1.68 0.00 0.00 54.58 54.89 1aes n ASN 38 Cb 0.59 -2.26 -0.04 0.00 -1.54 0.00 0.00 39.78 36.53 1aes n ASN 38 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1aes n TYR 39 N -4.56 0.00 0.06 3.10 4.01 -1.10 -4.89 117.16 113.77 1aes n TYR 39 Ca -0.27 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.40 1aes n TYR 39 Cb 0.67 -2.09 0.10 0.00 -0.31 0.00 0.00 39.34 37.70 1aes n TYR 39 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1aes h ILE 40 N 0.00 1.36 -0.10 -0.72 2.04 -1.08 -3.47 117.51 115.53 1aes h ILE 40 Ca -0.18 -1.91 0.01 0.00 1.00 0.00 0.00 64.86 63.78 1aes h ILE 40 Cb 0.83 1.92 -0.00 0.00 -0.74 0.00 0.00 36.82 38.83 1aes h ILE 40 CO 0.27 0.57 -0.02 0.61 0.00 0.00 0.00 178.15 179.58 1aes n GLY 41 N 0.27 -2.26 0.00 5.37 0.00 -0.07 -4.69 105.19 103.82 1aes n GLY 41 Ca -0.03 -1.53 0.14 0.00 0.00 0.00 0.00 46.02 44.61 1aes n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1aes n TYR 42 N -1.10 0.00 -0.01 1.61 4.01 -1.26 -4.46 117.16 115.95 1aes n TYR 42 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 1aes n TYR 42 Cb 0.02 -0.46 -0.03 0.00 -0.31 0.00 0.00 39.34 38.56 1aes n TYR 42 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1aes h GLY 43 N 5.00 -0.32 0.49 2.72 0.00 -1.93 -1.79 103.07 107.24 1aes h GLY 43 Ca 0.00 0.34 0.02 0.00 0.00 0.00 0.00 47.33 47.69 1aes h GLY 43 CO 0.00 -0.21 -0.27 -2.55 0.00 0.00 0.00 176.54 173.51 1aes h PRO 44 N -0.34 -0.45 -0.23 4.80 0.11 -1.88 -1.40 132.00 132.61 1aes h PRO 44 Ca 0.11 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 1aes h PRO 44 Cb 0.50 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 1aes h PRO 44 CO -0.34 -0.30 0.13 -0.24 -0.21 0.00 0.00 178.00 177.04 1aes h VAL 45 N -0.47 1.07 0.00 3.15 3.04 -1.81 -0.60 116.25 120.65 1aes h VAL 45 Ca 0.04 -0.18 -0.09 0.00 -1.01 0.00 0.00 66.70 65.45 1aes h VAL 45 Cb 0.51 0.76 -0.01 0.00 -2.01 0.00 0.00 31.29 30.54 1aes h VAL 45 CO -0.18 0.08 -0.44 -0.07 -1.01 0.00 0.00 177.57 175.95 1aes h LEU 46 N 0.32 0.00 0.00 3.16 3.38 -0.70 -0.77 115.31 120.69 1aes h LEU 46 Ca 0.08 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 1aes h LEU 46 Cb 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1aes h LEU 46 CO -0.01 0.44 -1.00 -0.37 0.09 0.00 0.00 178.44 177.58 1aes h VAL 47 N 0.00 1.50 -0.58 1.22 -1.51 -0.07 -2.95 116.25 113.87 1aes h VAL 47 Ca -0.00 -3.17 -0.07 0.00 -1.23 0.00 0.00 66.70 62.23 1aes h VAL 47 Cb 0.90 2.74 -0.02 0.00 -2.13 0.00 0.00 31.29 32.78 1aes h VAL 47 CO 0.06 0.85 0.09 -0.09 -1.23 0.00 0.00 177.57 177.25 1aes h ARG 48 N 0.00 0.93 -0.20 5.19 2.43 -1.16 -1.59 114.38 119.97 1aes h ARG 48 Ca -0.04 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1aes h ARG 48 Cb 1.73 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 31.16 1aes h ARG 48 CO 0.11 0.86 0.11 1.25 -1.51 0.00 0.00 179.97 180.80 1aes h LEU 49 N 0.88 0.25 -0.96 3.80 5.85 -1.18 0.55 115.31 124.50 1aes h LEU 49 Ca 0.18 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1aes h LEU 49 Cb 0.39 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1aes h LEU 49 CO 0.01 0.26 0.53 0.00 -0.34 0.00 0.00 178.44 178.90 1aes h ALA 50 N 1.01 1.21 -0.16 1.25 0.00 -1.35 -1.04 119.26 120.18 1aes h ALA 50 Ca 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1aes h ALA 50 Cb 0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1aes h ALA 50 CO -0.01 0.66 0.00 2.35 0.00 0.00 0.00 179.25 182.25 1aes h TRP 51 N 1.27 0.31 -0.23 0.00 2.91 -1.14 -2.83 115.95 116.24 1aes h TRP 51 Ca 0.33 -0.05 -0.05 0.00 1.13 0.00 0.00 58.89 60.24 1aes h TRP 51 Cb -0.02 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 28.53 1aes h TRP 51 CO 0.01 0.50 -0.07 0.45 -1.03 0.00 0.00 178.44 178.30 1aes h HIS 52 N 0.03 0.37 0.00 2.65 3.86 -0.60 0.32 115.15 121.79 1aes h HIS 52 Ca 0.05 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1aes h HIS 52 Cb 0.38 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 1aes h HIS 52 CO 0.03 0.44 -0.11 -0.84 0.86 0.00 0.00 177.93 178.31 1aes h ILE 53 N 0.34 0.23 0.00 2.45 3.07 -1.24 -3.20 117.51 119.17 1aes h ILE 53 Ca 0.07 -1.00 -0.18 0.00 1.55 0.00 0.00 64.86 65.30 1aes h ILE 53 Cb 0.35 1.82 -0.03 0.00 -0.27 0.00 0.00 36.82 38.69 1aes h ILE 53 CO 0.02 0.11 -1.64 -1.20 -1.05 0.00 0.00 178.15 174.38 1aes n SER 54 N -3.18 0.63 0.00 2.16 7.64 -0.87 -3.06 113.62 116.94 1aes n SER 54 Ca 0.02 0.28 0.08 0.00 1.01 0.00 0.00 58.87 60.26 1aes n SER 54 Cb 0.45 0.50 0.39 0.00 -1.01 0.00 0.00 64.21 64.54 1aes n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1aes n GLY 55 N 1.44 -1.01 0.01 0.23 0.00 0.11 -2.18 105.19 103.79 1aes n GLY 55 Ca -0.13 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 45.96 1aes n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aes n THR 56 N -1.43 0.07 -1.74 2.61 -2.24 -1.25 -4.68 114.28 105.62 1aes n THR 56 Ca 0.06 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.40 1aes n THR 56 Cb 0.18 -0.52 -0.00 0.00 -2.10 0.00 0.00 70.33 67.89 1aes n THR 56 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1aes n TRP 57 N -1.57 2.63 -4.08 4.78 -0.00 -0.93 -4.12 117.44 114.16 1aes n TRP 57 Ca 0.07 0.49 -0.33 0.00 -0.00 0.00 0.00 57.50 57.74 1aes n TRP 57 Cb 0.35 -2.48 -0.15 0.00 -0.00 0.00 0.00 31.31 29.03 1aes n TRP 57 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1aes s ASP 58 N -0.20 3.96 0.56 5.87 -1.08 -0.37 -4.41 116.67 121.00 1aes s ASP 58 Ca 0.55 -1.09 0.27 0.00 -0.52 0.00 0.00 52.55 51.75 1aes s ASP 58 Cb -0.52 -1.53 1.52 0.00 -1.46 0.00 0.00 42.92 40.92 1aes s ASP 58 CO 0.63 -0.12 2.04 0.07 0.52 0.00 0.00 175.17 178.31 1aes h LYS 59 N 7.85 0.00 -0.36 4.34 2.10 -1.46 -1.56 116.57 127.47 1aes h LYS 59 Ca -0.30 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.21 1aes h LYS 59 Cb 1.08 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.40 1aes h LYS 59 CO 0.53 0.00 -0.34 0.45 -2.00 0.00 0.00 179.45 178.10 1aes h HIS 60 N 0.00 1.03 0.00 0.07 3.86 -1.96 -3.36 115.15 114.80 1aes h HIS 60 Ca 0.15 -0.30 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1aes h HIS 60 Cb 0.71 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1aes h HIS 60 CO 0.00 1.11 -0.04 -0.40 0.86 0.00 0.00 177.93 179.46 1aes n ASP 61 N -4.14 1.49 -2.36 2.45 5.68 -1.18 -5.01 116.55 113.48 1aes n ASP 61 Ca -0.03 -2.00 -0.18 0.00 -0.50 0.00 0.00 54.79 52.09 1aes n ASP 61 Cb 0.51 -0.10 -0.01 0.00 -1.14 0.00 0.00 41.12 40.38 1aes n ASP 61 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1aes n ASN 62 N -0.54 -5.16 -4.90 -1.12 5.15 -0.59 -4.29 115.26 103.80 1aes n ASN 62 Ca 0.03 0.09 -0.29 0.00 -0.60 0.00 0.00 54.58 53.81 1aes n ASN 62 Cb 0.41 -4.34 -0.03 0.00 -0.53 0.00 0.00 39.78 35.29 1aes n ASN 62 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1aes s THR 63 N -2.86 5.03 0.00 -0.44 -4.23 -1.25 -4.89 115.64 107.00 1aes s THR 63 Ca 0.00 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 1aes s THR 63 Cb 0.00 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.11 1aes s THR 63 CO 0.00 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 1aes n GLY 64 N -0.91 -1.00 0.00 3.99 0.00 -1.26 -1.24 105.19 104.76 1aes n GLY 64 Ca -0.02 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1aes n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aes n GLY 65 N 0.00 -0.65 0.11 -0.02 0.00 -1.26 -4.63 105.19 98.75 1aes n GLY 65 Ca 0.00 -1.74 0.13 0.00 0.00 0.00 0.00 46.02 44.41 1aes n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1aes h SER 66 N 0.00 0.00 -0.29 1.61 4.64 -1.77 -3.39 113.55 114.35 1aes h SER 66 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1aes h SER 66 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 1aes h SER 66 CO 0.00 0.00 -0.50 0.22 -0.87 0.00 0.00 176.83 175.68 1aes h TYR 67 N 0.00 -1.48 0.00 4.77 3.20 -1.88 -2.90 116.97 118.68 1aes h TYR 67 Ca 0.00 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1aes h TYR 67 Cb 0.75 0.69 0.00 0.00 1.54 0.00 0.00 36.73 39.71 1aes h TYR 67 CO 0.00 -0.49 0.00 0.41 -1.64 0.00 0.00 178.16 176.44 1aes n GLY 68 N -1.41 -1.10 2.84 1.82 0.00 -1.25 -2.93 105.19 103.16 1aes n GLY 68 Ca -0.03 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 1aes n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aes n GLY 69 N 0.92 -0.50 0.00 -0.02 0.00 -1.09 -2.04 105.19 102.46 1aes n GLY 69 Ca 0.14 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.31 1aes n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aes n THR 70 N -3.77 0.13 0.31 2.61 -2.24 -1.26 -2.63 114.28 107.43 1aes n THR 70 Ca -0.10 0.03 0.19 0.00 -2.27 0.00 0.00 64.05 61.90 1aes n THR 70 Cb 0.59 -0.72 0.92 0.00 -2.10 0.00 0.00 70.33 69.01 1aes n THR 70 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1aes h TYR 71 N 0.00 0.00 0.00 4.78 3.20 -1.94 -1.57 116.97 121.44 1aes h TYR 71 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1aes h TYR 71 Cb 0.06 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.33 1aes h TYR 71 CO 0.00 0.00 0.00 2.89 -1.64 0.00 0.00 178.16 179.41 1aes n ARG 72 N -2.98 0.11 -3.64 1.82 1.85 -1.08 -3.66 116.66 109.09 1aes n ARG 72 Ca -0.01 0.44 -0.33 0.00 -1.00 0.00 0.00 57.85 56.95 1aes n ARG 72 Cb 0.18 -1.76 -0.05 0.00 -1.05 0.00 0.00 32.46 29.78 1aes n ARG 72 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1aes s PHE 73 N -3.25 3.53 0.26 2.89 0.08 -0.59 -4.95 117.98 115.94 1aes s PHE 73 Ca 0.03 0.66 -0.07 0.00 0.12 0.00 0.00 56.93 57.66 1aes s PHE 73 Cb 0.07 -2.07 0.43 0.00 -0.57 0.00 0.00 43.02 40.88 1aes s PHE 73 CO 0.27 0.48 1.44 1.63 -0.10 0.00 0.00 175.22 178.94 1aes n LYS 74 N 0.52 -0.08 0.05 0.44 4.01 -1.26 -1.49 118.16 120.35 1aes n LYS 74 Ca -0.06 1.44 -0.12 0.00 -0.51 0.00 0.00 58.31 59.06 1aes n LYS 74 Cb 0.52 -2.15 -0.06 0.00 -0.51 0.00 0.00 35.03 32.83 1aes n LYS 74 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1aes h LYS 75 N 0.00 -0.08 -0.25 1.97 3.64 -1.94 0.13 116.57 120.04 1aes h LYS 75 Ca 0.44 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.69 1aes h LYS 75 Cb 0.68 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1aes h LYS 75 CO -0.95 -0.06 -0.38 1.49 -2.27 0.00 0.00 179.45 177.29 1aes h GLU 76 N -0.09 0.69 -0.14 1.90 4.81 -1.71 -2.83 114.58 117.21 1aes h GLU 76 Ca 0.01 -0.42 -0.04 0.00 -0.13 0.00 0.00 59.36 58.79 1aes h GLU 76 Cb 0.10 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1aes h GLU 76 CO -0.03 1.03 -0.10 0.35 -0.73 0.00 0.00 179.01 179.53 1aes h PHE 77 N 0.41 0.23 -0.16 0.92 3.04 -1.22 -2.75 116.94 117.41 1aes h PHE 77 Ca 0.02 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1aes h PHE 77 Cb 0.97 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.42 1aes h PHE 77 CO 0.08 0.32 0.00 0.09 -2.02 0.00 0.00 178.31 176.78 1aes n ASN 78 N -4.31 1.83 -4.66 0.41 5.03 0.46 -4.88 115.26 109.14 1aes n ASN 78 Ca -0.01 -1.71 -0.51 0.00 0.87 0.00 0.00 54.58 53.22 1aes n ASN 78 Cb 0.24 -0.10 -0.05 0.00 -1.02 0.00 0.00 39.78 38.84 1aes n ASN 78 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1aes n ASP 79 N 0.43 2.66 -0.27 6.41 -0.08 -1.04 -4.87 116.55 119.79 1aes n ASP 79 Ca 0.17 1.06 0.14 0.00 -1.51 0.00 0.00 54.79 54.64 1aes n ASP 79 Cb 0.36 -1.28 0.40 0.00 2.34 0.00 0.00 41.12 42.94 1aes n ASP 79 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1aes h PRO 80 N 6.77 0.61 0.00 -0.67 0.11 -1.91 0.88 132.00 137.80 1aes h PRO 80 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1aes h PRO 80 Cb 1.29 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1aes h PRO 80 CO 0.89 0.41 -0.03 0.77 -0.21 0.00 0.00 178.00 179.83 1aes h SER 81 N 0.63 0.00 -0.26 -2.05 0.02 -1.94 -2.77 113.55 107.20 1aes h SER 81 Ca 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 1aes h SER 81 Cb 0.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1aes h SER 81 CO -0.21 0.03 0.00 0.59 -1.14 0.00 0.00 176.83 176.10 1aes n ASN 82 N -3.61 2.09 -4.67 3.07 3.02 0.30 -4.98 115.26 110.47 1aes n ASN 82 Ca -0.03 -1.82 -0.51 0.00 -0.03 0.00 0.00 54.58 52.20 1aes n ASN 82 Cb 0.13 -0.17 -0.05 0.00 -0.61 0.00 0.00 39.78 39.08 1aes n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1aes n ALA 83 N 0.61 0.43 0.00 5.41 0.00 -1.05 -0.95 120.51 124.96 1aes n ALA 83 Ca 0.16 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1aes n ALA 83 Cb 0.38 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.50 1aes n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aes n GLY 84 N 3.86 3.26 0.10 0.00 0.00 -1.26 -4.85 105.19 106.29 1aes n GLY 84 Ca 0.22 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.34 1aes n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aes n LEU 85 N 0.00 0.51 -0.05 0.99 4.77 -0.13 -1.79 117.00 121.30 1aes n LEU 85 Ca 0.00 0.63 0.21 0.00 -0.03 0.00 0.00 56.01 56.83 1aes n LEU 85 Cb 0.00 -0.58 0.68 0.00 -2.33 0.00 0.00 43.42 41.19 1aes n LEU 85 CO 0.00 -0.52 1.20 1.56 -1.33 0.00 0.00 177.39 178.30 1aes h GLN 86 N 0.00 0.05 -0.23 3.23 7.50 -1.92 0.32 115.11 124.06 1aes h GLN 86 Ca 0.00 -0.00 -0.11 0.00 0.50 0.00 0.00 58.65 59.03 1aes h GLN 86 Cb 0.31 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.81 1aes h GLN 86 CO 0.00 0.03 -0.33 -0.91 -1.50 0.00 0.00 178.83 176.12 1aes h ASN 87 N 0.05 0.51 -0.26 1.46 2.35 -1.75 -1.31 115.58 116.62 1aes h ASN 87 Ca 0.30 -0.20 -0.16 0.00 -0.55 0.00 0.00 56.30 55.69 1aes h ASN 87 Cb 1.13 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 1aes h ASN 87 CO -0.02 0.81 -0.44 1.23 -1.65 0.00 0.00 177.43 177.36 1aes h GLY 88 N 1.06 0.90 0.97 2.83 0.00 -0.58 -2.36 103.07 105.89 1aes h GLY 88 Ca 0.05 -0.96 -0.02 0.00 0.00 0.00 0.00 47.33 46.40 1aes h GLY 88 CO 0.06 0.86 0.23 -2.75 0.00 0.00 0.00 176.54 174.95 1aes h PHE 89 N 0.66 0.69 -0.48 5.60 3.57 -1.12 -1.74 116.94 124.13 1aes h PHE 89 Ca 0.04 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1aes h PHE 89 Cb 1.02 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 1aes h PHE 89 CO 0.06 0.55 0.09 0.87 -2.23 0.00 0.00 178.31 177.65 1aes h LYS 90 N 0.64 0.73 -0.55 1.11 1.57 -1.26 -0.87 116.57 117.94 1aes h LYS 90 Ca 0.17 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1aes h LYS 90 Cb 0.12 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1aes h LYS 90 CO -0.02 0.69 0.34 0.35 -0.57 0.00 0.00 179.45 180.24 1aes h PHE 91 N 0.71 0.71 0.00 -1.35 3.04 -1.10 -3.23 116.94 115.73 1aes h PHE 91 Ca 0.15 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.11 1aes h PHE 91 Cb 0.31 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.58 1aes h PHE 91 CO 0.02 0.48 0.00 -0.07 -2.02 0.00 0.00 178.31 176.71 1aes h LEU 92 N 0.74 0.00 -1.05 0.59 3.38 -0.40 -3.38 115.31 115.19 1aes h LEU 92 Ca 0.20 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1aes h LEU 92 Cb -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1aes h LEU 92 CO -0.04 0.00 0.23 -0.08 0.09 0.00 0.00 178.44 178.64 1aes h GLU 93 N 0.00 0.91 -0.09 1.13 4.81 -1.21 -1.67 114.58 118.46 1aes h GLU 93 Ca 0.00 -0.15 -0.10 0.00 -0.13 0.00 0.00 59.36 58.98 1aes h GLU 93 Cb 0.79 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1aes h GLU 93 CO 0.00 0.75 -0.38 -1.00 -0.73 0.00 0.00 179.01 177.65 1aes h PRO 94 N 0.89 0.18 -0.30 0.92 0.13 -1.78 -2.50 132.00 129.54 1aes h PRO 94 Ca 0.21 -0.08 -0.16 0.00 -0.87 0.00 0.00 66.00 65.10 1aes h PRO 94 Cb 0.20 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.32 1aes h PRO 94 CO -0.02 0.55 -0.43 0.82 -0.23 0.00 0.00 178.00 178.69 1aes h ILE 95 N 0.16 1.29 -0.47 -3.56 2.04 -1.68 -2.27 117.51 113.01 1aes h ILE 95 Ca 0.02 -1.62 -0.07 0.00 1.00 0.00 0.00 64.86 64.19 1aes h ILE 95 Cb 0.75 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 1aes h ILE 95 CO 0.06 0.53 0.01 -0.74 0.00 0.00 0.00 178.15 178.00 1aes h HIS 96 N 0.62 0.82 -0.61 1.37 2.76 -1.33 -0.82 115.15 117.97 1aes h HIS 96 Ca 0.04 -0.11 -0.02 0.00 -2.20 0.00 0.00 60.37 58.08 1aes h HIS 96 Cb 1.00 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.70 1aes h HIS 96 CO 0.05 0.76 0.28 0.87 -1.30 0.00 0.00 177.93 178.59 1aes h LYS 97 N 0.73 0.86 -0.06 5.26 1.79 -1.23 -2.53 116.57 121.39 1aes h LYS 97 Ca 0.15 -0.11 -0.12 0.00 -2.18 0.00 0.00 60.65 58.38 1aes h LYS 97 Cb 0.43 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 1aes h LYS 97 CO 0.02 0.67 -0.51 1.49 -1.08 0.00 0.00 179.45 180.05 1aes h GLU 98 N 0.86 0.15 -2.35 3.15 4.81 -0.84 -3.35 114.58 117.01 1aes h GLU 98 Ca 0.21 -0.09 -0.60 0.00 -0.13 0.00 0.00 59.36 58.76 1aes h GLU 98 Cb 0.10 0.01 -0.41 0.00 0.63 0.00 0.00 28.75 29.08 1aes h GLU 98 CO -0.03 0.63 -0.71 1.19 -0.73 0.00 0.00 179.01 179.35 1aes n PHE 99 N -3.94 2.48 0.23 0.92 3.72 -0.37 -4.97 117.46 115.54 1aes n PHE 99 Ca -0.02 -4.01 0.09 0.00 -0.05 0.00 0.00 57.45 53.46 1aes n PHE 99 Cb 0.54 -0.47 0.57 0.00 -0.94 0.00 0.00 39.48 39.17 1aes n PHE 99 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1aes h PRO 100 N 4.49 0.00 0.00 -1.08 0.13 -1.61 -2.78 132.00 131.14 1aes h PRO 100 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 1aes h PRO 100 Cb 0.74 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 1aes h PRO 100 CO 0.71 0.21 -0.05 0.11 -0.23 0.00 0.00 178.00 178.75 1aes h TRP 101 N 0.00 0.00 -3.48 1.56 5.08 -1.93 -3.44 115.95 113.75 1aes h TRP 101 Ca -0.00 0.00 -0.52 0.00 1.08 0.00 0.00 58.89 59.45 1aes h TRP 101 Cb 0.49 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 26.67 1aes h TRP 101 CO 0.00 0.05 0.59 -1.50 -1.28 0.00 0.00 178.44 176.29 1aes s ILE 102 N -4.49 3.41 0.73 0.12 2.07 -1.05 -4.94 121.20 117.05 1aes s ILE 102 Ca -0.04 1.19 -0.12 0.00 -1.41 0.00 0.00 60.65 60.27 1aes s ILE 102 Cb 0.14 -3.76 0.03 0.00 0.13 0.00 0.00 42.46 39.01 1aes s ILE 102 CO 0.57 0.19 1.09 -0.94 -1.91 0.00 0.00 174.94 173.94 1aes s SER 103 N 0.14 4.78 0.03 4.50 1.04 -1.26 -4.89 113.70 118.03 1aes s SER 103 Ca 0.54 1.87 -0.24 0.00 0.48 0.00 0.00 55.95 58.60 1aes s SER 103 Cb -0.34 -2.53 -0.17 0.00 0.10 0.00 0.00 66.02 63.08 1aes s SER 103 CO 0.38 -1.85 1.47 0.28 0.98 0.00 0.00 173.24 174.49 1aes h SER 104 N -0.69 0.06 -0.99 7.02 0.02 -1.92 -1.48 113.55 115.57 1aes h SER 104 Ca -0.45 -0.29 0.14 0.00 -0.84 0.00 0.00 61.79 60.35 1aes h SER 104 Cb 1.23 -0.02 -0.09 0.00 0.14 0.00 0.00 62.40 63.67 1aes h SER 104 CO 0.53 0.34 0.61 1.23 -1.14 0.00 0.00 176.83 178.39 1aes h GLY 105 N -0.22 1.66 1.12 -3.77 0.00 -1.78 -0.58 103.07 99.49 1aes h GLY 105 Ca 0.01 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.84 1aes h GLY 105 CO 0.00 0.09 -0.04 -0.55 0.00 0.00 0.00 176.54 176.05 1aes h ASP 106 N 0.91 1.03 -0.24 0.19 5.19 -1.81 -1.65 116.42 120.03 1aes h ASP 106 Ca 0.51 -0.31 -0.17 0.00 -0.62 0.00 0.00 57.03 56.45 1aes h ASP 106 Cb 0.60 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.82 1aes h ASP 106 CO -0.30 1.10 -0.47 0.25 -3.12 0.00 0.00 179.24 176.70 1aes h LEU 107 N 0.95 0.89 -0.25 1.55 5.85 -0.55 -0.47 115.31 123.27 1aes h LEU 107 Ca 0.16 -0.44 -0.20 0.00 0.84 0.00 0.00 57.88 58.24 1aes h LEU 107 Cb 0.59 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1aes h LEU 107 CO 0.04 1.21 -0.62 -0.26 -0.34 0.00 0.00 178.44 178.47 1aes h PHE 108 N 0.65 1.11 -0.37 1.25 0.04 -1.16 -0.51 116.94 117.94 1aes h PHE 108 Ca 0.03 -0.42 -0.15 0.00 2.80 0.00 0.00 57.97 60.24 1aes h PHE 108 Cb 1.05 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 39.00 1aes h PHE 108 CO 0.06 1.26 -0.34 0.66 -0.60 0.00 0.00 178.31 179.35 1aes h SER 109 N 0.64 0.90 -0.45 2.17 4.64 -1.35 -2.66 113.55 117.44 1aes h SER 109 Ca -0.01 -0.39 -0.06 0.00 -0.47 0.00 0.00 61.79 60.86 1aes h SER 109 Cb 1.24 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 1aes h SER 109 CO 0.13 1.16 0.06 0.25 -0.87 0.00 0.00 176.83 177.56 1aes h LEU 110 N 0.71 0.78 -1.06 5.97 5.85 -1.07 -1.82 115.31 124.67 1aes h LEU 110 Ca 0.07 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1aes h LEU 110 Cb 0.91 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 1aes h LEU 110 CO 0.08 0.80 0.64 1.23 -0.34 0.00 0.00 178.44 180.85 1aes h GLY 111 N 0.97 1.39 0.97 3.75 0.00 -1.01 -0.39 103.07 108.76 1aes h GLY 111 Ca 0.16 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1aes h GLY 111 CO 0.01 0.43 0.18 -1.33 0.00 0.00 0.00 176.54 175.83 1aes h GLY 112 N 1.24 0.45 0.99 4.60 0.00 -1.10 -2.33 103.07 106.92 1aes h GLY 112 Ca 0.38 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1aes h GLY 112 CO -0.11 0.19 0.30 -2.08 0.00 0.00 0.00 176.54 174.84 1aes h VAL 113 N 0.39 1.17 -0.54 4.60 2.07 -0.87 -2.92 116.25 120.14 1aes h VAL 113 Ca 0.11 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1aes h VAL 113 Cb 0.03 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1aes h VAL 113 CO -0.02 0.18 0.32 0.74 0.02 0.00 0.00 177.57 178.81 1aes h THR 114 N 0.70 1.17 -0.18 2.57 2.02 -1.03 -2.45 112.91 115.70 1aes h THR 114 Ca 0.18 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1aes h THR 114 Cb 0.02 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1aes h THR 114 CO -0.03 0.17 0.07 0.00 0.37 0.00 0.00 175.52 176.10 1aes h ALA 115 N 1.15 0.24 -0.17 6.16 0.00 -1.35 -0.53 119.26 124.75 1aes h ALA 115 Ca 0.19 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1aes h ALA 115 Cb -0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1aes h ALA 115 CO -0.04 -0.18 -0.14 0.28 0.00 0.00 0.00 179.25 179.18 1aes h VAL 116 N 0.14 0.60 -0.51 0.00 2.07 -1.42 -0.11 116.25 117.03 1aes h VAL 116 Ca 0.06 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.46 1aes h VAL 116 Cb 0.17 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1aes h VAL 116 CO -0.01 0.00 -0.14 1.56 0.02 0.00 0.00 177.57 179.01 1aes h GLN 117 N -0.15 0.98 0.00 1.57 4.20 -1.39 -0.16 115.11 120.16 1aes h GLN 117 Ca 0.11 -0.37 -0.09 0.00 0.06 0.00 0.00 58.65 58.35 1aes h GLN 117 Cb 0.31 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1aes h GLN 117 CO -0.26 1.05 -0.43 0.93 -0.67 0.00 0.00 178.83 179.44 1aes h GLU 118 N 0.86 0.00 -0.96 1.46 4.39 -0.87 -2.02 114.58 117.45 1aes h GLU 118 Ca 0.13 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.77 1aes h GLU 118 Cb 0.70 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.31 1aes h GLU 118 CO 0.05 0.43 0.08 -1.33 -1.16 0.00 0.00 179.01 177.08 1aes n MET 119 N -3.96 1.53 -2.13 2.33 2.81 -0.07 -4.87 117.12 112.77 1aes n MET 119 Ca -0.02 -0.67 -0.18 0.00 -1.81 0.00 0.00 57.70 55.03 1aes n MET 119 Cb 0.46 -1.44 -0.03 0.00 -0.71 0.00 0.00 33.22 31.51 1aes n MET 119 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1aes n GLN 120 N 0.14 -1.39 -0.10 0.03 1.13 -0.76 -0.33 117.38 116.11 1aes n GLN 120 Ca 0.10 0.94 0.00 0.00 -1.94 0.00 0.00 57.00 56.10 1aes n GLN 120 Cb 0.62 -5.38 0.00 0.00 0.11 0.00 0.00 30.24 25.59 1aes n GLN 120 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1aes n GLY 121 N -0.95 -0.52 3.74 1.08 0.00 -0.09 -4.69 105.19 103.75 1aes n GLY 121 Ca -0.21 -1.72 -0.33 0.00 0.00 0.00 0.00 46.02 43.76 1aes n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1aes s PRO 122 N -1.53 2.18 0.31 1.61 0.04 -1.26 -4.71 135.00 131.64 1aes s PRO 122 Ca 0.00 1.52 -0.29 0.00 0.04 0.00 0.00 61.00 62.27 1aes s PRO 122 Cb 0.00 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.58 1aes s PRO 122 CO 0.00 -1.75 1.32 0.15 0.04 0.00 0.00 177.00 176.75 1aes s LYS 123 N -4.25 4.35 -0.31 4.56 -0.14 -1.26 -4.45 119.74 118.24 1aes s LYS 123 Ca 0.69 2.21 -0.03 0.00 -1.36 0.00 0.00 55.97 57.48 1aes s LYS 123 Cb -0.23 -3.08 0.05 0.00 -1.68 0.00 0.00 37.83 32.88 1aes s LYS 123 CO 0.48 -0.21 0.03 0.42 -0.76 0.00 0.00 175.35 175.31 1aes s ILE 124 N -0.94 3.20 0.18 2.17 -1.09 -1.26 -4.86 121.20 118.60 1aes s ILE 124 Ca 0.50 -1.34 -0.33 0.00 -2.23 0.00 0.00 60.65 57.25 1aes s ILE 124 Cb -0.40 -2.84 -0.15 0.00 -1.58 0.00 0.00 42.46 37.49 1aes s ILE 124 CO 0.51 -0.14 1.33 -2.65 -1.23 0.00 0.00 174.94 172.76 1aes n PRO 125 N 4.67 1.59 -4.49 2.79 -0.02 -1.26 -4.78 135.00 133.50 1aes n PRO 125 Ca -0.13 0.57 -0.20 0.00 -2.02 0.00 0.00 63.50 61.72 1aes n PRO 125 Cb 0.44 -2.18 -0.15 0.00 -0.02 0.00 0.00 33.50 31.58 1aes n PRO 125 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1aes s TRP 126 N 0.12 1.02 -0.07 6.00 -0.00 -0.01 -4.83 118.94 121.16 1aes s TRP 126 Ca 0.74 -0.20 0.03 0.00 -0.00 0.00 0.00 56.10 56.67 1aes s TRP 126 Cb -0.78 -0.66 -0.02 0.00 -0.00 0.00 0.00 33.47 32.02 1aes s TRP 126 CO 0.48 -0.02 -0.15 1.03 -0.00 0.00 0.00 176.95 178.28 1aes s ARG 127 N -0.23 2.75 0.80 5.86 0.52 -1.26 -0.14 118.95 127.24 1aes s ARG 127 Ca 0.04 -0.72 -0.07 0.00 -0.52 0.00 0.00 55.73 54.45 1aes s ARG 127 Cb -0.05 -2.41 0.14 0.00 0.52 0.00 0.00 34.95 33.15 1aes s ARG 127 CO -0.00 0.48 1.12 0.00 0.02 0.00 0.00 175.30 176.91 1aes n GLY 129 N -3.19 0.98 3.77 0.00 0.00 -1.26 -4.72 105.19 100.77 1aes n GLY 129 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1aes n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aes s ARG 130 N -0.31 4.24 -0.09 1.61 0.52 -1.26 -0.90 118.95 122.77 1aes s ARG 130 Ca 0.00 2.38 0.04 0.00 -0.52 0.00 0.00 55.73 57.63 1aes s ARG 130 Cb 0.00 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.44 1aes s ARG 130 CO 0.00 -0.36 -0.22 0.08 0.02 0.00 0.00 175.30 174.82 1aes s VAL 131 N -1.02 1.91 0.02 3.52 1.01 -1.15 -4.68 120.40 120.00 1aes s VAL 131 Ca 0.52 -0.94 -0.32 0.00 0.00 0.00 0.00 61.98 61.24 1aes s VAL 131 Cb -0.43 -1.65 -0.11 0.00 0.00 0.00 0.00 36.38 34.19 1aes s VAL 131 CO 0.56 0.53 1.87 0.47 0.00 0.00 0.00 175.10 178.53 1aes n ASP 132 N 3.51 3.74 -4.83 3.32 9.92 -1.26 -3.90 116.55 127.06 1aes n ASP 132 Ca -0.19 0.97 -0.22 0.00 -0.53 0.00 0.00 54.79 54.82 1aes n ASP 132 Cb 0.53 -1.46 -0.04 0.00 -0.64 0.00 0.00 41.12 39.51 1aes n ASP 132 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1aes s THR 133 N 3.56 3.50 0.66 -3.53 -4.23 -0.87 -5.01 115.64 109.71 1aes s THR 133 Ca 0.88 -1.44 -0.16 0.00 -1.18 0.00 0.00 61.69 59.79 1aes s THR 133 Cb -0.58 -3.16 -0.00 0.00 1.34 0.00 0.00 72.50 70.11 1aes s THR 133 CO 0.44 -0.19 1.15 -2.84 -0.54 0.00 0.00 174.62 172.64 1aes s PRO 134 N -3.95 2.72 0.44 3.99 0.02 -1.26 -4.87 135.00 132.08 1aes s PRO 134 Ca 0.40 1.56 0.30 0.00 0.02 0.00 0.00 61.00 63.27 1aes s PRO 134 Cb -0.05 -1.93 1.41 0.00 0.02 0.00 0.00 34.50 33.95 1aes s PRO 134 CO 0.26 -1.34 1.63 1.49 -0.33 0.00 0.00 177.00 178.71 1aes h GLU 135 N 0.18 0.10 0.00 5.54 4.81 -1.98 0.11 114.58 123.35 1aes h GLU 135 Ca -0.48 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1aes h GLU 135 Cb 1.27 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1aes h GLU 135 CO 0.53 0.07 0.00 -0.40 -0.73 0.00 0.00 179.01 178.48 1aes n ASP 136 N -4.67 0.00 -0.57 1.04 5.75 -1.26 -2.06 116.55 114.79 1aes n ASP 136 Ca 0.36 -0.14 0.13 0.00 -0.01 0.00 0.00 54.79 55.13 1aes n ASP 136 Cb 1.40 -0.23 0.40 0.00 -1.03 0.00 0.00 41.12 41.66 1aes n ASP 136 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1aes n THR 137 N -1.23 0.00 -1.87 2.12 -2.24 0.40 -4.94 114.28 106.51 1aes n THR 137 Ca 0.11 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 1aes n THR 137 Cb 0.16 0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 69.10 1aes n THR 137 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1aes s THR 138 N -2.06 3.21 0.61 4.28 2.01 -0.87 -4.72 115.64 118.09 1aes s THR 138 Ca 0.34 0.41 -0.19 0.00 0.31 0.00 0.00 61.69 62.56 1aes s THR 138 Cb 0.21 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 1aes s THR 138 CO 0.35 -0.02 1.22 -0.81 -0.69 0.00 0.00 174.62 174.67 1aes n PRO 139 N 6.74 1.21 -1.58 4.92 -0.04 -1.26 -5.00 135.00 139.98 1aes n PRO 139 Ca 0.18 0.46 -0.33 0.00 -0.04 0.00 0.00 63.50 63.77 1aes n PRO 139 Cb 0.41 -2.45 0.07 0.00 -0.04 0.00 0.00 33.50 31.49 1aes n PRO 139 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1aes s ASP 140 N -1.22 4.78 0.66 3.54 1.01 -1.26 -4.66 116.67 119.52 1aes s ASP 140 Ca 0.78 2.03 -0.17 0.00 0.71 0.00 0.00 52.55 55.90 1aes s ASP 140 Cb -0.40 -2.55 -0.00 0.00 1.01 0.00 0.00 42.92 40.97 1aes s ASP 140 CO 0.44 -1.85 1.27 0.20 0.21 0.00 0.00 175.17 175.44 1aes s ASN 141 N -2.64 4.54 0.00 0.27 -0.87 -1.26 -4.24 114.94 110.74 1aes s ASN 141 Ca 0.67 2.56 0.00 0.00 -1.57 0.00 0.00 52.86 54.52 1aes s ASN 141 Cb -0.21 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.40 1aes s ASN 141 CO 0.45 -2.05 0.00 0.61 -2.57 0.00 0.00 177.10 173.54 1aes n GLY 142 N 0.79 1.01 0.27 0.66 0.00 -1.26 -5.01 105.19 101.65 1aes n GLY 142 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1aes n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aes n ARG 143 N -1.01 0.74 -3.25 1.61 1.74 -1.26 -4.94 116.66 110.29 1aes n ARG 143 Ca 0.00 -0.54 -0.29 0.00 -0.77 0.00 0.00 57.85 56.25 1aes n ARG 143 Cb 0.00 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 29.92 1aes n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1aes s LEU 144 N -2.63 4.02 0.50 0.55 1.43 -1.26 -4.74 118.68 116.55 1aes s LEU 144 Ca 0.18 0.78 -0.19 0.00 -1.03 0.00 0.00 54.13 53.87 1aes s LEU 144 Cb 0.18 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.72 1aes s LEU 144 CO 0.61 -0.24 1.02 -2.16 0.23 0.00 0.00 176.35 175.82 1aes s PRO 145 N -3.63 3.78 0.53 1.29 0.04 -1.26 -5.06 135.00 130.69 1aes s PRO 145 Ca 0.45 1.26 -0.14 0.00 0.04 0.00 0.00 61.00 62.61 1aes s PRO 145 Cb -0.11 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 32.27 1aes s PRO 145 CO 0.30 -0.44 0.96 -0.51 0.04 0.00 0.00 177.00 177.36 1aes s ASP 146 N -2.27 6.48 0.11 6.66 1.01 -1.26 -5.01 116.67 122.39 1aes s ASP 146 Ca 0.65 1.44 0.22 0.00 0.71 0.00 0.00 52.55 55.57 1aes s ASP 146 Cb -0.15 -2.46 -0.12 0.00 1.01 0.00 0.00 42.92 41.20 1aes s ASP 146 CO 0.23 -0.65 0.84 0.00 0.21 0.00 0.00 175.17 175.80 1aes n ALA 147 N -1.93 2.52 -0.25 5.23 0.00 -1.26 -4.49 120.51 120.33 1aes n ALA 147 Ca 0.06 -0.37 -0.12 0.00 0.00 0.00 0.00 53.44 53.01 1aes n ALA 147 Cb 0.54 -0.97 0.06 0.00 0.00 0.00 0.00 19.45 19.08 1aes n ALA 147 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1aes n ASP 148 N -2.58 4.39 -3.25 0.00 5.75 -1.26 -1.47 116.55 118.13 1aes n ASP 148 Ca -0.03 -2.78 -0.17 0.00 -0.01 0.00 0.00 54.79 51.80 1aes n ASP 148 Cb 0.60 -0.79 -0.04 0.00 -1.03 0.00 0.00 41.12 39.86 1aes n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1aes n LYS 149 N 0.06 1.00 -3.04 0.11 4.76 -1.26 -4.92 118.16 114.86 1aes n LYS 149 Ca 0.25 -2.13 -0.16 0.00 -2.87 0.00 0.00 58.31 53.40 1aes n LYS 149 Cb 0.84 0.86 -0.01 0.00 -1.84 0.00 0.00 35.03 34.87 1aes n LYS 149 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1aes n ASP 150 N -1.46 2.28 -0.34 4.39 5.75 -1.26 -3.45 116.55 122.45 1aes n ASP 150 Ca -0.08 -2.10 0.11 0.00 -0.01 0.00 0.00 54.79 52.71 1aes n ASP 150 Cb 0.37 0.06 0.29 0.00 -1.03 0.00 0.00 41.12 40.82 1aes n ASP 150 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1aes h ALA 151 N 0.88 1.56 -0.64 2.12 0.00 -1.91 -1.44 119.26 119.84 1aes h ALA 151 Ca -0.21 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1aes h ALA 151 Cb 0.69 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1aes h ALA 151 CO 0.33 -0.07 0.27 0.78 0.00 0.00 0.00 179.25 180.56 1aes h GLY 152 N 0.72 1.01 0.90 0.00 0.00 -1.96 -0.18 103.07 103.56 1aes h GLY 152 Ca 0.55 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1aes h GLY 152 CO -0.38 0.51 0.09 -1.82 0.00 0.00 0.00 176.54 174.93 1aes h TYR 153 N 0.89 0.32 -0.27 5.60 3.20 -1.67 -1.87 116.97 123.16 1aes h TYR 153 Ca 0.21 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.08 1aes h TYR 153 Cb 0.18 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 1aes h TYR 153 CO 0.01 0.35 0.11 0.28 -1.64 0.00 0.00 178.16 177.28 1aes h VAL 154 N 0.19 0.96 -0.53 1.81 2.07 -1.06 0.14 116.25 119.82 1aes h VAL 154 Ca 0.07 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1aes h VAL 154 Cb 0.17 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1aes h VAL 154 CO -0.01 0.05 0.33 -0.09 0.02 0.00 0.00 177.57 177.86 1aes h ARG 155 N 0.25 0.63 -0.09 1.57 2.43 -1.02 -1.43 114.38 116.72 1aes h ARG 155 Ca 0.12 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1aes h ARG 155 Cb 0.06 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1aes h ARG 155 CO -0.10 0.42 -0.03 1.15 -1.51 0.00 0.00 179.97 179.90 1aes h THR 156 N 0.65 1.30 -0.44 0.20 2.02 -1.17 -2.87 112.91 112.60 1aes h THR 156 Ca 0.21 -0.99 0.07 0.00 0.77 0.00 0.00 66.41 66.47 1aes h THR 156 Cb -0.01 1.78 -0.06 0.00 -1.74 0.00 0.00 68.15 68.12 1aes h THR 156 CO -0.08 0.28 0.07 0.15 0.37 0.00 0.00 175.52 176.31 1aes h PHE 157 N -0.17 0.11 0.00 3.16 3.57 -0.61 -2.69 116.94 120.31 1aes h PHE 157 Ca 0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1aes h PHE 157 Cb 0.45 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1aes h PHE 157 CO 0.06 -0.02 0.00 1.19 -2.23 0.00 0.00 178.31 177.31 1aes n PHE 158 N -5.13 0.14 -0.33 0.41 3.72 -0.55 -2.51 117.46 113.21 1aes n PHE 158 Ca 0.04 0.05 -0.03 0.00 -0.05 0.00 0.00 57.45 57.46 1aes n PHE 158 Cb 0.21 -0.57 0.10 0.00 -0.94 0.00 0.00 39.48 38.28 1aes n PHE 158 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1aes h GLN 159 N 0.00 1.17 0.00 -1.08 -0.00 -1.26 -0.43 115.11 113.51 1aes h GLN 159 Ca 0.00 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.65 58.56 1aes h GLN 159 Cb 0.40 -0.26 -0.00 0.00 0.00 0.00 0.00 27.48 27.62 1aes h GLN 159 CO 0.00 0.77 -0.07 -0.09 0.00 0.00 0.00 178.83 179.44 1aes h ARG 160 N 1.20 0.00 -0.64 1.69 2.43 -1.59 -1.60 114.38 115.87 1aes h ARG 160 Ca 0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1aes h ARG 160 Cb -0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1aes h ARG 160 CO -0.08 0.07 0.00 1.28 -1.51 0.00 0.00 179.97 179.73 1aes n LEU 161 N -4.15 4.50 -0.98 3.80 4.77 -1.01 -1.15 117.00 122.78 1aes n LEU 161 Ca -0.03 -2.27 0.00 0.00 -0.03 0.00 0.00 56.01 53.68 1aes n LEU 161 Cb 0.15 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1aes n LEU 161 CO 0.32 0.68 0.00 -0.46 -1.33 0.00 0.00 177.39 176.60 1aes n ASN 162 N 0.84 0.00 -4.46 -1.43 6.94 -0.60 -4.97 115.26 111.58 1aes n ASN 162 Ca 0.23 0.00 -0.34 0.00 -0.02 0.00 0.00 54.58 54.45 1aes n ASN 162 Cb 0.88 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 38.17 1aes n ASN 162 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1aes s MET 163 N -0.63 3.60 0.67 -3.83 -1.94 -0.20 -5.01 119.30 111.95 1aes s MET 163 Ca 0.00 -0.56 -0.08 0.00 -1.71 0.00 0.00 55.69 53.34 1aes s MET 163 Cb 0.00 -2.87 0.15 0.00 2.01 0.00 0.00 34.83 34.11 1aes s MET 163 CO 0.00 0.20 0.91 0.27 -0.01 0.00 0.00 175.02 176.39 1aes n ASN 164 N 3.64 0.42 -0.25 3.03 0.23 -1.26 -4.03 115.26 117.03 1aes n ASN 164 Ca -0.18 -1.54 -0.06 0.00 -0.53 0.00 0.00 54.58 52.27 1aes n ASN 164 Cb 0.52 -0.66 0.05 0.00 -2.08 0.00 0.00 39.78 37.61 1aes n ASN 164 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1aes h ASP 165 N -1.00 0.92 -0.53 0.53 3.32 -1.99 -1.21 116.42 116.46 1aes h ASP 165 Ca -0.30 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.56 1aes h ASP 165 Cb 0.90 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1aes h ASP 165 CO 0.24 0.79 0.09 -0.09 -1.72 0.00 0.00 179.24 178.55 1aes h ARG 166 N 0.98 0.88 -0.28 3.56 2.43 -1.96 -1.66 114.38 118.33 1aes h ARG 166 Ca 0.24 -0.24 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1aes h ARG 166 Cb 0.12 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1aes h ARG 166 CO -0.03 0.86 -0.04 0.93 -1.51 0.00 0.00 179.97 180.18 1aes h GLU 167 N 0.77 0.52 -0.26 0.20 5.08 -1.90 -2.15 114.58 116.84 1aes h GLU 167 Ca 0.16 -0.18 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1aes h GLU 167 Cb 0.40 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 1aes h GLU 167 CO 0.01 0.70 -0.10 0.28 -1.00 0.00 0.00 179.01 178.90 1aes h VAL 168 N 0.28 0.66 -0.38 3.13 2.07 -1.09 -1.70 116.25 119.22 1aes h VAL 168 Ca 0.07 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.49 1aes h VAL 168 Cb 0.50 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1aes h VAL 168 CO 0.02 0.00 -0.18 0.58 0.02 0.00 0.00 177.57 178.01 1aes h VAL 169 N -0.05 1.26 0.06 2.57 2.07 -1.26 -1.69 116.25 119.22 1aes h VAL 169 Ca 0.13 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 1aes h VAL 169 Cb 0.25 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1aes h VAL 169 CO -0.30 0.42 -0.03 0.00 0.02 0.00 0.00 177.57 177.68 1aes h ALA 170 N 1.16 -0.08 -0.96 1.67 0.00 -1.28 -3.03 119.26 116.74 1aes h ALA 170 Ca 0.10 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1aes h ALA 170 Cb 0.66 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 1aes h ALA 170 CO 0.05 -0.52 0.60 -0.07 0.00 0.00 0.00 179.25 179.31 1aes h LEU 171 N -0.14 0.93 -2.21 0.00 4.07 -1.12 -2.04 115.31 114.81 1aes h LEU 171 Ca -0.01 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 1aes h LEU 171 Cb 0.12 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 41.69 1aes h LEU 171 CO 0.01 0.56 -0.06 -0.03 -1.08 0.00 0.00 178.44 177.85 1aes h MET 172 N 1.05 0.00 -0.22 1.13 4.05 -1.21 -2.41 114.93 117.32 1aes h MET 172 Ca 0.44 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.92 1aes h MET 172 Cb 0.28 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 1aes h MET 172 CO -0.21 0.06 0.40 0.78 0.23 0.00 0.00 176.91 178.17 1aes h GLY 173 N 0.38 0.00 2.00 1.39 0.00 -1.25 0.19 103.07 105.78 1aes h GLY 173 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1aes h GLY 173 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 1aes n ALA 174 N -2.12 1.52 0.69 3.60 0.00 -0.91 -2.29 120.51 121.01 1aes n ALA 174 Ca 0.03 0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.60 1aes n ALA 174 Cb 0.51 -1.30 0.37 0.00 0.00 0.00 0.00 19.45 19.03 1aes n ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1aes n HIS 175 N -1.96 0.00 0.24 0.00 8.25 0.06 -0.67 115.22 121.14 1aes n HIS 175 Ca 0.02 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.59 1aes n HIS 175 Cb 0.17 -0.30 0.62 0.00 1.12 0.00 0.00 29.99 31.60 1aes n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1aes h ALA 176 N 2.69 1.25 -2.44 -1.41 0.00 -1.67 -3.38 119.26 114.29 1aes h ALA 176 Ca 0.00 -0.16 -0.50 0.00 0.00 0.00 0.00 54.91 54.26 1aes h ALA 176 Cb 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1aes h ALA 176 CO 0.00 0.22 0.18 -0.51 0.00 0.00 0.00 179.25 179.13 1aes s LEU 177 N -7.32 4.27 0.00 0.00 1.43 0.15 -4.39 118.68 112.83 1aes s LEU 177 Ca -0.02 1.52 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 1aes s LEU 177 Cb 0.13 -3.84 0.00 0.00 0.03 0.00 0.00 46.19 42.51 1aes s LEU 177 CO 0.61 -0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.75 1aes n GLY 178 N 0.41 3.13 3.64 -3.19 0.00 0.18 -4.90 105.19 104.46 1aes n GLY 178 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 1aes n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aes s LYS 179 N 0.00 0.75 0.27 1.61 -2.85 -1.26 -4.43 119.74 113.84 1aes s LYS 179 Ca 0.00 -0.37 -0.12 0.00 -1.00 0.00 0.00 55.97 54.48 1aes s LYS 179 Cb 0.00 0.29 -0.08 0.00 -2.06 0.00 0.00 37.83 35.98 1aes s LYS 179 CO 0.00 -0.34 0.63 0.95 0.10 0.00 0.00 175.35 176.69 1aes s THR 180 N -2.88 4.83 -0.11 3.79 -4.23 -0.01 -4.96 115.64 112.07 1aes s THR 180 Ca 0.11 0.66 -0.00 0.00 -1.18 0.00 0.00 61.69 61.27 1aes s THR 180 Cb 0.00 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 70.25 1aes s THR 180 CO -0.03 -0.14 -0.09 -1.00 -0.54 0.00 0.00 174.62 172.83 1aes s HIS 181 N -1.91 1.56 0.20 3.99 0.09 -1.10 -2.52 115.29 115.62 1aes s HIS 181 Ca 0.50 -0.78 -0.11 0.00 -0.00 0.00 0.00 55.06 54.67 1aes s HIS 181 Cb -0.11 -1.26 0.27 0.00 -0.00 0.00 0.00 32.58 31.48 1aes s HIS 181 CO 0.20 -0.52 1.70 1.25 -0.00 0.00 0.00 174.74 177.37 1aes h LEU 182 N 8.09 -0.04 -1.83 0.89 5.85 -1.51 0.19 115.31 126.95 1aes h LEU 182 Ca -0.31 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1aes h LEU 182 Cb 1.13 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 1aes h LEU 182 CO 0.43 -0.01 -0.08 0.50 -0.34 0.00 0.00 178.44 178.94 1aes h LYS 183 N 0.23 0.00 0.13 1.25 3.64 -1.96 0.12 116.57 119.98 1aes h LYS 183 Ca 0.30 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.35 1aes h LYS 183 Cb 0.45 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1aes h LYS 183 CO -0.40 0.08 -1.72 -0.91 -2.27 0.00 0.00 179.45 174.23 1aes h ASN 184 N 0.00 0.42 0.00 4.20 2.35 -1.35 -3.44 115.58 117.77 1aes h ASN 184 Ca -0.00 -0.69 0.00 0.00 -0.55 0.00 0.00 56.30 55.05 1aes h ASN 184 Cb 0.40 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1aes h ASN 184 CO 0.01 1.60 0.00 -1.54 -1.65 0.00 0.00 177.43 175.85 1aes n SER 185 N -3.46 0.18 -0.12 5.81 3.41 -0.48 -4.67 113.62 114.28 1aes n SER 185 Ca -0.22 -0.63 -0.02 0.00 -0.26 0.00 0.00 58.87 57.74 1aes n SER 185 Cb 1.06 0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 65.15 1aes n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aes n GLY 186 N 0.15 0.53 3.24 5.00 0.00 0.41 -5.01 105.19 109.50 1aes n GLY 186 Ca 0.00 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 1aes n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aes s TYR 187 N -1.97 1.62 -0.04 1.61 2.02 -1.26 -4.57 117.35 114.75 1aes s TYR 187 Ca 0.00 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.31 1aes s TYR 187 Cb 0.00 -0.92 0.01 0.00 -0.40 0.00 0.00 41.96 40.65 1aes s TYR 187 CO 0.00 0.13 -0.08 -2.00 -1.57 0.00 0.00 175.55 172.03 1aes s GLU 188 N -1.58 1.11 0.00 -0.62 2.56 -1.26 -1.18 118.70 117.73 1aes s GLU 188 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 54.97 54.77 1aes s GLU 188 Cb -0.09 -1.01 0.00 0.00 2.00 0.00 0.00 34.13 35.03 1aes s GLU 188 CO 0.03 0.01 0.00 0.41 -0.56 0.00 0.00 175.26 175.14 1aes n GLY 189 N 3.76 2.91 3.91 -1.50 0.00 -1.05 -4.85 105.19 108.37 1aes n GLY 189 Ca -0.23 -2.01 -0.27 0.00 0.00 0.00 0.00 46.02 43.51 1aes n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1aes s PRO 190 N -2.23 3.59 -0.01 1.61 0.04 -1.26 -0.83 135.00 135.90 1aes s PRO 190 Ca 0.00 -0.05 0.15 0.00 0.04 0.00 0.00 61.00 61.14 1aes s PRO 190 Cb 0.00 -2.62 0.45 0.00 0.04 0.00 0.00 34.50 32.37 1aes s PRO 190 CO 0.00 0.15 1.37 0.41 0.04 0.00 0.00 177.00 178.97 1aes n GLY 191 N -1.29 1.42 0.00 0.56 0.00 -1.26 -0.79 105.19 103.83 1aes n GLY 191 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1aes n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aes n GLY 192 N 1.25 -1.03 0.09 -0.02 0.00 -1.26 -4.77 105.19 99.44 1aes n GLY 192 Ca 0.17 -1.09 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 1aes n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aes h ALA 193 N 0.00 0.03 -1.11 4.61 0.00 -1.94 -3.40 119.26 117.45 1aes h ALA 193 Ca 0.00 -0.43 -0.77 0.00 0.00 0.00 0.00 54.91 53.71 1aes h ALA 193 Cb 0.00 0.01 -0.19 0.00 0.00 0.00 0.00 17.79 17.61 1aes h ALA 193 CO 0.00 0.02 1.72 0.00 0.00 0.00 0.00 179.25 180.98 1aes n ALA 194 N -2.51 5.82 1.80 0.00 0.00 -1.26 -4.87 120.51 119.49 1aes n ALA 194 Ca -0.09 -4.41 0.04 0.00 0.00 0.00 0.00 53.44 48.98 1aes n ALA 194 Cb 0.45 -2.67 0.22 0.00 0.00 0.00 0.00 19.45 17.45 1aes n ALA 194 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1aes n ASN 195 N 2.15 0.00 -1.36 0.00 2.04 -1.26 -3.00 115.26 113.83 1aes n ASN 195 Ca 0.44 -1.56 0.03 0.00 -0.44 0.00 0.00 54.58 53.04 1aes n ASN 195 Cb 0.31 0.00 0.08 0.00 -2.53 0.00 0.00 39.78 37.64 1aes n ASN 195 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1aes n ASN 196 N -0.63 1.45 -4.11 0.53 6.94 -1.26 -0.64 115.26 117.53 1aes n ASN 196 Ca 0.06 -2.67 -0.24 0.00 -0.02 0.00 0.00 54.58 51.71 1aes n ASN 196 Cb 0.03 -0.39 -0.15 0.00 -2.36 0.00 0.00 39.78 36.90 1aes n ASN 196 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1aes s VAL 197 N -1.53 1.21 -0.40 3.53 1.01 -1.16 -4.81 120.40 118.25 1aes s VAL 197 Ca 0.35 -0.63 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 1aes s VAL 197 Cb 0.38 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.75 1aes s VAL 197 CO -0.12 0.35 0.89 0.12 0.00 0.00 0.00 175.10 176.34 1aes s PHE 198 N -0.15 3.03 0.17 5.22 2.19 0.55 -4.87 117.98 124.12 1aes s PHE 198 Ca 0.01 0.58 0.04 0.00 0.33 0.00 0.00 56.93 57.89 1aes s PHE 198 Cb -0.08 -3.70 -0.01 0.00 -1.31 0.00 0.00 43.02 37.91 1aes s PHE 198 CO 0.00 -0.90 0.15 0.25 1.83 0.00 0.00 175.22 176.55 1aes n THR 199 N 6.09 0.00 -0.89 0.12 -2.24 -1.26 -4.55 114.28 111.55 1aes n THR 199 Ca 0.06 -1.21 -0.10 0.00 -2.27 0.00 0.00 64.05 60.53 1aes n THR 199 Cb 0.48 0.61 0.25 0.00 -2.10 0.00 0.00 70.33 69.57 1aes n THR 199 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1aes n ASN 200 N -2.32 4.35 -0.25 3.42 6.94 -1.26 -4.62 115.26 121.53 1aes n ASN 200 Ca 0.04 -3.20 0.12 0.00 -0.02 0.00 0.00 54.58 51.51 1aes n ASN 200 Cb 0.30 -0.75 0.39 0.00 -2.36 0.00 0.00 39.78 37.36 1aes n ASN 200 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1aes h GLU 201 N 2.03 0.65 -0.70 -3.83 4.81 -1.95 -2.18 114.58 113.41 1aes h GLU 201 Ca 0.34 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.62 1aes h GLU 201 Cb 2.34 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 31.50 1aes h GLU 201 CO 0.77 0.43 0.34 0.35 -0.73 0.00 0.00 179.01 180.17 1aes h PHE 202 N 0.67 0.60 -0.26 0.92 3.57 -1.84 0.23 116.94 120.84 1aes h PHE 202 Ca 0.42 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.81 1aes h PHE 202 Cb 0.68 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 1aes h PHE 202 CO -0.00 0.21 -0.40 1.88 -2.23 0.00 0.00 178.31 177.76 1aes h TYR 203 N 0.57 0.91 -0.27 0.41 0.05 -1.74 -1.50 116.97 115.40 1aes h TYR 203 Ca 0.34 -0.31 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1aes h TYR 203 Cb 0.37 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 1aes h TYR 203 CO -0.12 1.09 0.18 -0.07 -1.05 0.00 0.00 178.16 178.19 1aes h LEU 204 N 0.47 0.31 -0.64 3.88 3.38 -1.45 -1.69 115.31 119.57 1aes h LEU 204 Ca 0.02 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1aes h LEU 204 Cb 1.00 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 1aes h LEU 204 CO 0.09 0.22 0.24 0.78 0.09 0.00 0.00 178.44 179.86 1aes h ASN 205 N 0.36 0.90 -0.33 -0.43 2.35 -0.92 0.05 115.58 117.56 1aes h ASN 205 Ca 0.10 -0.18 0.05 0.00 -0.55 0.00 0.00 56.30 55.71 1aes h ASN 205 Cb -0.04 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.05 1aes h ASN 205 CO -0.02 0.84 0.08 0.25 -1.65 0.00 0.00 177.43 176.92 1aes h LEU 206 N 0.90 0.04 -0.09 1.61 5.85 -1.11 -1.31 115.31 121.19 1aes h LEU 206 Ca 0.21 0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.80 1aes h LEU 206 Cb 0.23 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1aes h LEU 206 CO -0.01 0.06 -0.87 -0.07 -0.34 0.00 0.00 178.44 177.20 1aes h LEU 207 N 0.20 0.00 0.00 2.25 3.38 -1.02 -3.38 115.31 116.74 1aes h LEU 207 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1aes h LEU 207 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1aes h LEU 207 CO -0.19 0.87 -1.29 0.59 0.09 0.00 0.00 178.44 178.50 1aes n ASN 208 N -3.37 0.79 -4.88 -0.43 5.03 -0.02 -5.00 115.26 107.37 1aes n ASN 208 Ca 0.00 -0.53 -0.30 0.00 0.87 0.00 0.00 54.58 54.62 1aes n ASN 208 Cb 0.87 1.37 -0.02 0.00 -1.02 0.00 0.00 39.78 40.98 1aes n ASN 208 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1aes s GLU 209 N -2.98 3.72 -0.58 3.52 0.41 -0.50 -5.02 118.70 117.27 1aes s GLU 209 Ca 0.01 0.53 -0.21 0.00 -0.41 0.00 0.00 54.97 54.88 1aes s GLU 209 Cb 0.13 -2.29 0.07 0.00 -1.78 0.00 0.00 34.13 30.25 1aes s GLU 209 CO 0.77 -0.20 0.81 0.34 -0.49 0.00 0.00 175.26 176.48 1aes s ASP 210 N -3.55 6.23 0.03 -0.19 2.15 -1.26 -4.98 116.67 115.09 1aes s ASP 210 Ca 0.52 -0.92 -0.16 0.00 0.43 0.00 0.00 52.55 52.42 1aes s ASP 210 Cb -0.10 -2.36 -0.06 0.00 -0.30 0.00 0.00 42.92 40.10 1aes s ASP 210 CO 0.38 -1.17 0.46 0.26 -0.17 0.00 0.00 175.17 174.94 1aes s TRP 211 N 3.34 3.75 -0.12 -5.34 0.52 -1.26 -4.29 118.94 115.53 1aes s TRP 211 Ca 0.20 1.07 0.01 0.00 0.02 0.00 0.00 56.10 57.40 1aes s TRP 211 Cb -0.18 -2.35 0.02 0.00 -1.15 0.00 0.00 33.47 29.81 1aes s TRP 211 CO 0.12 0.62 -0.14 0.21 0.02 0.00 0.00 176.95 177.78 1aes s LYS 212 N -1.13 2.17 -0.49 4.98 2.20 0.12 -4.89 119.74 122.70 1aes s LYS 212 Ca 0.26 -0.53 -0.28 0.00 -0.36 0.00 0.00 55.97 55.06 1aes s LYS 212 Cb -0.17 -1.91 -0.00 0.00 -1.51 0.00 0.00 37.83 34.24 1aes s LYS 212 CO 0.15 -0.12 1.62 -1.17 -0.36 0.00 0.00 175.35 175.47 1aes s LEU 213 N 1.16 3.43 0.30 5.43 2.96 -1.26 -1.20 118.68 129.50 1aes s LEU 213 Ca -0.03 0.65 0.09 0.00 -0.22 0.00 0.00 54.13 54.62 1aes s LEU 213 Cb -0.14 -3.12 -0.06 0.00 0.50 0.00 0.00 46.19 43.37 1aes s LEU 213 CO -0.04 -1.83 -0.12 -1.61 -1.32 0.00 0.00 176.35 171.43 1aes s GLU 214 N 5.82 1.69 -0.19 1.98 2.02 -0.38 -4.97 118.70 124.67 1aes s GLU 214 Ca 0.64 -1.83 -0.09 0.00 0.02 0.00 0.00 54.97 53.71 1aes s GLU 214 Cb -0.15 -1.57 -0.05 0.00 0.10 0.00 0.00 34.13 32.47 1aes s GLU 214 CO 0.27 0.18 0.12 0.15 0.02 0.00 0.00 175.26 176.00 1aes s LYS 215 N -3.61 4.09 0.69 1.61 1.02 -1.26 -1.42 119.74 120.86 1aes s LYS 215 Ca 0.30 -0.24 -0.01 0.00 0.02 0.00 0.00 55.97 56.05 1aes s LYS 215 Cb 0.00 -3.36 0.14 0.00 -0.52 0.00 0.00 37.83 34.09 1aes s LYS 215 CO 0.14 0.34 0.95 0.27 -0.92 0.00 0.00 175.35 176.13 1aes n ASN 216 N 3.39 1.24 0.31 2.83 0.23 -0.37 -4.95 115.26 117.95 1aes n ASN 216 Ca -0.16 -2.06 0.19 0.00 -0.53 0.00 0.00 54.58 52.02 1aes n ASN 216 Cb 0.52 -0.62 1.04 0.00 -2.08 0.00 0.00 39.78 38.64 1aes n ASN 216 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1aes h ASP 217 N -0.59 0.00 -0.45 0.53 3.32 -1.92 -1.36 116.42 115.95 1aes h ASP 217 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1aes h ASP 217 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1aes h ASP 217 CO 0.33 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.87 1aes n ALA 218 N -2.18 2.62 -1.15 3.45 0.00 -1.26 -4.91 120.51 117.08 1aes n ALA 218 Ca -0.03 -0.90 -0.05 0.00 0.00 0.00 0.00 53.44 52.46 1aes n ALA 218 Cb 0.11 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 1aes n ALA 218 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1aes n ASN 219 N 0.78 -4.12 -4.88 0.00 3.02 -0.51 -5.03 115.26 104.51 1aes n ASN 219 Ca 0.16 0.13 -0.36 0.00 -0.03 0.00 0.00 54.58 54.47 1aes n ASN 219 Cb 0.49 -2.07 -0.06 0.00 -0.61 0.00 0.00 39.78 37.53 1aes n ASN 219 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1aes s ASN 220 N -2.53 6.35 0.20 6.41 0.02 -1.26 -4.83 114.94 119.30 1aes s ASN 220 Ca 0.00 0.43 -0.27 0.00 -1.02 0.00 0.00 52.86 52.00 1aes s ASN 220 Cb 0.00 -2.04 -0.08 0.00 0.02 0.00 0.00 41.25 39.15 1aes s ASN 220 CO 0.00 0.38 0.84 -1.61 0.02 0.00 0.00 177.10 176.73 1aes s GLU 221 N -1.23 4.68 0.07 -0.60 2.02 -1.26 -1.24 118.70 121.14 1aes s GLU 221 Ca 0.18 1.29 -0.12 0.00 0.02 0.00 0.00 54.97 56.34 1aes s GLU 221 Cb -0.12 -3.26 0.01 0.00 0.10 0.00 0.00 34.13 30.86 1aes s GLU 221 CO 0.07 0.55 0.26 1.14 0.02 0.00 0.00 175.26 177.30 1aes s GLN 222 N -1.18 0.85 -0.40 1.61 -2.07 -0.51 -4.59 119.66 113.37 1aes s GLN 222 Ca 0.38 -0.73 -0.20 0.00 -1.82 0.00 0.00 55.36 52.99 1aes s GLN 222 Cb -0.24 0.36 0.01 0.00 -1.09 0.00 0.00 33.01 32.05 1aes s GLN 222 CO 0.28 -0.28 0.64 -1.58 -1.32 0.00 0.00 175.29 173.03 1aes s TRP 223 N -3.27 3.10 0.00 9.60 0.52 -0.21 -1.24 118.94 127.44 1aes s TRP 223 Ca 0.00 0.13 -0.00 0.00 0.02 0.00 0.00 56.10 56.24 1aes s TRP 223 Cb 0.02 -3.25 -0.04 0.00 -1.15 0.00 0.00 33.47 29.05 1aes s TRP 223 CO -0.08 -0.76 0.09 -0.51 0.02 0.00 0.00 176.95 175.72 1aes s ASP 224 N 1.91 5.76 0.11 2.95 1.01 -0.34 0.11 116.67 128.17 1aes s ASP 224 Ca 0.23 0.16 0.09 0.00 0.71 0.00 0.00 52.55 53.74 1aes s ASP 224 Cb -0.14 -1.67 -0.04 0.00 1.01 0.00 0.00 42.92 42.08 1aes s ASP 224 CO 0.17 0.26 -0.17 -0.94 0.21 0.00 0.00 175.17 174.70 1aes s SER 225 N -1.83 3.94 0.47 0.27 1.04 -0.21 0.15 113.70 117.54 1aes s SER 225 Ca 0.24 -0.52 0.25 0.00 0.48 0.00 0.00 55.95 56.40 1aes s SER 225 Cb -0.12 -0.59 1.28 0.00 0.10 0.00 0.00 66.02 66.69 1aes s SER 225 CO 0.15 0.19 1.85 0.11 0.98 0.00 0.00 173.24 176.52 1aes h LYS 226 N 3.81 0.21 0.00 4.02 6.56 -1.89 -0.59 116.57 128.68 1aes h LYS 226 Ca -0.50 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.08 1aes h LYS 226 Cb 1.17 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.78 1aes h LYS 226 CO 0.47 0.14 0.00 0.43 -2.06 0.00 0.00 179.45 178.42 1aes n SER 227 N -4.41 0.00 0.00 0.86 7.64 -1.26 -4.83 113.62 111.61 1aes n SER 227 Ca 0.21 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1aes n SER 227 Cb 0.88 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1aes n SER 227 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1aes n GLY 228 N -0.55 0.77 3.90 0.23 0.00 -0.23 -5.07 105.19 104.25 1aes n GLY 228 Ca 0.04 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 1aes n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aes s TYR 229 N -2.00 3.31 0.04 1.61 2.02 -1.24 -4.53 117.35 116.55 1aes s TYR 229 Ca 0.00 -0.03 0.03 0.00 -0.37 0.00 0.00 57.07 56.69 1aes s TYR 229 Cb 0.00 -1.52 -0.02 0.00 -0.40 0.00 0.00 41.96 40.02 1aes s TYR 229 CO 0.00 0.49 -0.08 0.00 -1.57 0.00 0.00 175.55 174.38 1aes s MET 230 N -3.76 0.57 -0.05 -0.62 0.23 0.03 -1.04 119.30 114.65 1aes s MET 230 Ca 0.33 -0.69 0.06 0.00 -1.03 0.00 0.00 55.69 54.37 1aes s MET 230 Cb -0.09 -0.40 -0.01 0.00 -1.53 0.00 0.00 34.83 32.79 1aes s MET 230 CO 0.27 0.08 -0.24 -1.64 -2.03 0.00 0.00 175.02 171.47 1aes s MET 231 N -1.34 2.49 0.74 3.16 -1.94 0.12 -4.17 119.30 118.37 1aes s MET 231 Ca -0.07 -0.88 -0.12 0.00 -1.71 0.00 0.00 55.69 52.91 1aes s MET 231 Cb -0.09 -2.18 0.04 0.00 2.01 0.00 0.00 34.83 34.62 1aes s MET 231 CO 0.01 0.43 1.10 -0.51 -0.01 0.00 0.00 175.02 176.04 1aes s LEU 232 N -0.28 3.14 0.20 -0.03 1.43 -1.26 -1.04 118.68 120.84 1aes s LEU 232 Ca 0.00 1.91 -0.11 0.00 -1.03 0.00 0.00 54.13 54.91 1aes s LEU 232 Cb -0.13 -4.53 0.26 0.00 0.03 0.00 0.00 46.19 41.81 1aes s LEU 232 CO 0.03 -1.98 1.73 -0.65 0.23 0.00 0.00 176.35 175.70 1aes h PRO 233 N -0.79 0.32 0.00 1.29 0.11 -1.81 -0.46 132.00 130.67 1aes h PRO 233 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1aes h PRO 233 Cb 1.24 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1aes h PRO 233 CO 0.52 0.21 -0.06 1.79 -0.21 0.00 0.00 178.00 180.25 1aes h THR 234 N 0.33 0.70 -0.06 -1.15 1.35 -1.28 -1.86 112.91 110.95 1aes h THR 234 Ca 0.29 -0.24 -0.19 0.00 -0.55 0.00 0.00 66.41 65.72 1aes h THR 234 Cb 0.38 1.14 0.01 0.00 -1.73 0.00 0.00 68.15 67.96 1aes h THR 234 CO -0.33 0.06 -0.72 0.44 -0.25 0.00 0.00 175.52 174.72 1aes h ASP 235 N 0.00 0.73 0.85 5.36 3.32 -1.42 -3.25 116.42 122.01 1aes h ASP 235 Ca -0.00 -0.70 -0.06 0.00 0.02 0.00 0.00 57.03 56.29 1aes h ASP 235 Cb 0.14 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1aes h ASP 235 CO 0.01 1.33 -0.30 0.22 -1.72 0.00 0.00 179.24 178.77 1aes h TYR 236 N 0.21 0.00 -1.46 4.55 3.20 -0.94 -2.66 116.97 119.88 1aes h TYR 236 Ca -0.07 0.00 0.44 0.00 3.14 0.00 0.00 58.73 62.23 1aes h TYR 236 Cb 1.39 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 39.57 1aes h TYR 236 CO 0.12 0.30 1.01 0.77 -1.64 0.00 0.00 178.16 178.71 1aes h SER 237 N 0.00 0.13 0.17 -2.11 0.02 -1.38 -1.80 113.55 108.58 1aes h SER 237 Ca -0.00 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1aes h SER 237 Cb 0.81 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.39 1aes h SER 237 CO 0.04 -0.06 -0.08 -0.07 -1.14 0.00 0.00 176.83 175.52 1aes h LEU 238 N 0.07 0.00 -0.98 5.07 3.38 -1.64 -1.33 115.31 119.89 1aes h LEU 238 Ca 0.77 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.74 1aes h LEU 238 Cb 2.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.51 1aes h LEU 238 CO -0.19 0.08 -0.44 2.30 0.09 0.00 0.00 178.44 180.29 1aes n ILE 239 N -3.94 0.00 0.07 1.22 -5.35 -0.68 -1.92 119.36 108.75 1aes n ILE 239 Ca -0.02 -0.28 -0.15 0.00 -0.27 0.00 0.00 62.75 62.02 1aes n ILE 239 Cb 0.17 1.24 -0.14 0.00 -1.74 0.00 0.00 39.64 39.17 1aes n ILE 239 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1aes h GLN 240 N 2.28 0.22 -6.37 6.28 4.20 -1.24 -3.46 115.11 117.03 1aes h GLN 240 Ca 0.00 -0.38 -0.54 0.00 0.06 0.00 0.00 58.65 57.79 1aes h GLN 240 Cb 0.70 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.60 1aes h GLN 240 CO 0.00 1.09 0.27 0.34 -0.67 0.00 0.00 178.83 179.87 1aes s ASP 241 N -6.95 7.31 0.27 1.46 -1.08 -0.89 -4.99 116.67 111.81 1aes s ASP 241 Ca -0.07 1.58 -0.04 0.00 -0.52 0.00 0.00 52.55 53.49 1aes s ASP 241 Cb 0.07 -2.53 0.35 0.00 -1.46 0.00 0.00 42.92 39.36 1aes s ASP 241 CO 0.86 -0.11 1.95 1.55 0.52 0.00 0.00 175.17 179.93 1aes h PRO 242 N 6.15 1.20 -0.11 4.34 0.13 -1.91 -2.20 132.00 139.61 1aes h PRO 242 Ca -0.42 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1aes h PRO 242 Cb 1.21 -0.27 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 1aes h PRO 242 CO 0.73 0.80 -0.03 0.87 -0.23 0.00 0.00 178.00 180.15 1aes h LYS 243 N 1.24 0.22 -0.57 0.86 1.57 -1.94 -3.14 116.57 114.81 1aes h LYS 243 Ca 0.33 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1aes h LYS 243 Cb -0.14 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1aes h LYS 243 CO -0.07 0.52 0.32 1.88 -0.57 0.00 0.00 179.45 181.53 1aes h TYR 244 N -0.09 0.78 -0.56 -1.35 0.05 -1.79 -3.16 116.97 110.85 1aes h TYR 244 Ca 0.03 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.83 1aes h TYR 244 Cb 0.44 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 37.88 1aes h TYR 244 CO 0.05 0.56 0.31 1.25 -1.05 0.00 0.00 178.16 179.28 1aes h LEU 245 N 0.77 0.47 -1.34 3.88 5.85 -0.72 0.16 115.31 124.40 1aes h LEU 245 Ca 0.20 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 1aes h LEU 245 Cb 0.03 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1aes h LEU 245 CO -0.03 0.33 -0.29 0.77 -0.34 0.00 0.00 178.44 178.87 1aes h SER 246 N 0.60 0.06 -0.18 1.25 4.64 -1.51 -1.16 113.55 117.24 1aes h SER 246 Ca 0.24 -0.02 -0.20 0.00 -0.47 0.00 0.00 61.79 61.33 1aes h SER 246 Cb 0.10 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1aes h SER 246 CO -0.14 0.36 -0.67 0.40 -0.87 0.00 0.00 176.83 175.91 1aes h ILE 247 N 0.06 1.28 -0.67 0.95 2.04 -1.23 -2.23 117.51 117.71 1aes h ILE 247 Ca 0.01 -1.87 0.12 0.00 1.00 0.00 0.00 64.86 64.12 1aes h ILE 247 Cb 0.55 1.83 -0.09 0.00 -0.74 0.00 0.00 36.82 38.37 1aes h ILE 247 CO 0.04 0.60 0.21 0.58 0.00 0.00 0.00 178.15 179.58 1aes h VAL 248 N 0.58 0.67 -0.34 1.67 2.07 -0.79 -1.68 116.25 118.43 1aes h VAL 248 Ca -0.02 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 1aes h VAL 248 Cb 1.29 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1aes h VAL 248 CO 0.14 0.07 -0.02 0.11 0.02 0.00 0.00 177.57 177.89 1aes h LYS 249 N 0.36 0.53 -0.45 1.57 1.57 -1.13 -1.64 116.57 117.39 1aes h LYS 249 Ca 0.35 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 58.89 1aes h LYS 249 Cb 0.52 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1aes h LYS 249 CO -0.39 0.58 -0.22 1.49 -0.57 0.00 0.00 179.45 180.33 1aes h GLU 250 N 0.51 0.91 0.00 3.15 4.81 -0.69 -2.23 114.58 121.04 1aes h GLU 250 Ca 0.11 -0.38 -0.19 0.00 -0.13 0.00 0.00 59.36 58.76 1aes h GLU 250 Cb 0.36 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 1aes h GLU 250 CO 0.01 1.04 -0.91 1.88 -0.73 0.00 0.00 179.01 180.30 1aes h TYR 251 N 0.79 0.00 -0.55 0.92 0.05 -1.30 -1.96 116.97 114.91 1aes h TYR 251 Ca 0.10 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.84 1aes h TYR 251 Cb 0.78 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.49 1aes h TYR 251 CO 0.05 0.91 0.17 0.00 -1.05 0.00 0.00 178.16 178.24 1aes h ALA 252 N 1.09 1.26 -0.18 3.88 0.00 -1.32 -3.09 119.26 120.90 1aes h ALA 252 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1aes h ALA 252 Cb 1.63 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1aes h ALA 252 CO 0.12 0.53 0.00 0.09 0.00 0.00 0.00 179.25 179.98 1aes n ASN 253 N -4.30 2.17 -3.14 0.00 3.02 -0.84 -4.74 115.26 107.43 1aes n ASN 253 Ca 0.04 -1.77 -0.08 0.00 -0.03 0.00 0.00 54.58 52.75 1aes n ASN 253 Cb 0.20 -0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.23 1aes n ASN 253 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1aes s ASP 254 N -1.66 -0.56 0.47 6.41 -1.08 -0.75 -5.02 116.67 114.47 1aes s ASP 254 Ca 0.34 -1.47 0.14 0.00 -0.52 0.00 0.00 52.55 51.04 1aes s ASP 254 Cb 0.19 1.37 1.09 0.00 -1.46 0.00 0.00 42.92 44.12 1aes s ASP 254 CO 0.29 -0.16 2.06 -0.61 0.52 0.00 0.00 175.17 177.27 1aes h GLN 255 N 6.32 0.04 -0.15 4.34 4.15 -1.85 -2.35 115.11 125.60 1aes h GLN 255 Ca 0.07 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 1aes h GLN 255 Cb 1.10 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.78 1aes h GLN 255 CO 0.12 0.13 -0.04 -0.44 -1.93 0.00 0.00 178.83 176.67 1aes h ASP 256 N 0.04 0.30 -0.30 -0.69 3.32 -1.95 -0.23 116.42 116.90 1aes h ASP 256 Ca 0.01 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 1aes h ASP 256 Cb 0.17 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1aes h ASP 256 CO 0.01 0.59 0.17 0.50 -1.72 0.00 0.00 179.24 178.79 1aes h LYS 257 N -0.01 0.42 -0.19 3.56 1.63 -1.89 -2.11 116.57 117.99 1aes h LYS 257 Ca 0.04 -0.05 0.05 0.00 -0.85 0.00 0.00 60.65 59.84 1aes h LYS 257 Cb 0.46 -0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 31.95 1aes h LYS 257 CO 0.01 0.37 -0.20 0.35 -3.45 0.00 0.00 179.45 176.54 1aes h PHE 258 N 0.37 -0.51 -0.73 1.91 3.57 -1.26 -0.67 116.94 119.62 1aes h PHE 258 Ca 0.11 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.73 1aes h PHE 258 Cb 0.07 0.25 -0.07 0.00 2.79 0.00 0.00 35.95 38.99 1aes h PHE 258 CO -0.03 -0.27 0.38 0.74 -2.23 0.00 0.00 178.31 176.90 1aes h PHE 259 N -0.22 0.69 -0.61 0.41 -1.00 -0.86 -0.19 116.94 115.16 1aes h PHE 259 Ca 0.12 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.88 1aes h PHE 259 Cb 0.40 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 39.73 1aes h PHE 259 CO -0.33 0.26 0.19 -0.22 -1.61 0.00 0.00 178.31 176.61 1aes h LYS 260 N 0.65 0.96 0.02 1.51 3.64 -1.22 -2.31 116.57 119.81 1aes h LYS 260 Ca 0.35 -0.21 -0.22 0.00 -1.27 0.00 0.00 60.65 59.31 1aes h LYS 260 Cb 0.35 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1aes h LYS 260 CO -0.25 0.85 -0.95 -0.44 -2.27 0.00 0.00 179.45 176.38 1aes h ASP 261 N 0.88 0.33 -0.40 4.20 5.19 -0.89 -3.09 116.42 122.64 1aes h ASP 261 Ca 0.20 -0.28 -0.02 0.00 -0.62 0.00 0.00 57.03 56.30 1aes h ASP 261 Cb 0.29 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.68 1aes h ASP 261 CO -0.01 1.11 0.17 0.15 -3.12 0.00 0.00 179.24 177.54 1aes h PHE 262 N 0.13 0.60 -0.49 4.55 3.57 -1.03 -2.06 116.94 122.21 1aes h PHE 262 Ca -0.06 -0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.48 1aes h PHE 262 Cb 1.60 -0.18 -0.07 0.00 2.79 0.00 0.00 35.95 40.09 1aes h PHE 262 CO 0.04 0.52 0.10 1.03 -2.23 0.00 0.00 178.31 177.77 1aes h SER 263 N 0.50 0.01 -0.40 0.41 0.87 -1.46 0.13 113.55 113.62 1aes h SER 263 Ca 0.13 0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.71 1aes h SER 263 Cb 0.17 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1aes h SER 263 CO -0.01 0.03 -0.04 0.11 -0.53 0.00 0.00 176.83 176.39 1aes h LYS 264 N 0.24 0.73 -0.02 2.24 1.57 -1.47 -2.08 116.57 117.78 1aes h LYS 264 Ca 0.24 -0.25 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 1aes h LYS 264 Cb 0.32 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1aes h LYS 264 CO -0.32 0.84 -0.66 0.00 -0.57 0.00 0.00 179.45 178.75 1aes h ALA 265 N 0.86 0.88 -0.12 3.86 0.00 -1.01 -2.16 119.26 121.57 1aes h ALA 265 Ca 0.11 -0.59 -0.23 0.00 0.00 0.00 0.00 54.91 54.20 1aes h ALA 265 Cb 0.54 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1aes h ALA 265 CO 0.03 0.80 -0.81 0.35 0.00 0.00 0.00 179.25 179.61 1aes h PHE 266 N 0.05 1.06 -0.61 0.00 3.57 -0.73 -1.44 116.94 118.84 1aes h PHE 266 Ca -0.01 -0.49 -0.04 0.00 3.53 0.00 0.00 57.97 60.96 1aes h PHE 266 Cb 1.17 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 1aes h PHE 266 CO 0.01 1.32 0.22 1.49 -2.23 0.00 0.00 178.31 179.12 1aes h GLU 267 N 0.50 0.93 -0.42 1.11 4.81 -1.32 -1.98 114.58 118.21 1aes h GLU 267 Ca -0.07 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 1aes h GLU 267 Cb 1.45 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 1aes h GLU 267 CO 0.17 0.81 0.21 -0.22 -0.73 0.00 0.00 179.01 179.24 1aes h LYS 268 N 0.86 0.59 -0.30 1.92 3.64 -1.32 -1.30 116.57 120.67 1aes h LYS 268 Ca 0.20 -0.08 0.07 0.00 -1.27 0.00 0.00 60.65 59.57 1aes h LYS 268 Cb 0.24 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.88 1aes h LYS 268 CO -0.01 0.50 -0.20 1.25 -2.27 0.00 0.00 179.45 178.72 1aes h LEU 269 N 0.53 -0.66 -1.62 5.20 5.85 -1.12 0.55 115.31 124.04 1aes h LEU 269 Ca 0.14 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 1aes h LEU 269 Cb 0.09 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1aes h LEU 269 CO -0.02 -0.24 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.59 1aes h LEU 270 N -0.17 0.00 0.00 2.25 3.38 -1.02 -3.12 115.31 116.62 1aes h LEU 270 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1aes h LEU 270 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1aes h LEU 270 CO -0.40 0.18 -1.13 -0.62 0.09 0.00 0.00 178.44 176.56 1aes n GLU 271 N -3.64 0.15 -1.62 1.13 1.02 -0.52 -4.64 120.64 112.52 1aes n GLU 271 Ca -0.01 -0.03 -0.54 0.00 -0.02 0.00 0.00 57.16 56.56 1aes n GLU 271 Cb 0.31 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 30.15 1aes n GLU 271 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1aes n ASP 272 N -1.69 1.73 0.00 1.62 8.00 0.14 -2.04 116.55 124.32 1aes n ASP 272 Ca 0.03 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.64 1aes n ASP 272 Cb 0.38 -1.16 0.00 0.00 -0.02 0.00 0.00 41.12 40.32 1aes n ASP 272 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aes n GLY 273 N 2.87 1.22 3.57 0.44 0.00 -1.26 -4.54 105.19 107.49 1aes n GLY 273 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1aes n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aes s ILE 274 N -2.76 4.44 -0.15 -0.61 1.01 -0.86 -4.14 121.20 118.13 1aes s ILE 274 Ca 0.00 -0.16 -0.20 0.00 0.00 0.00 0.00 60.65 60.30 1aes s ILE 274 Cb 0.00 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 1aes s ILE 274 CO 0.00 0.46 0.57 -0.89 0.00 0.00 0.00 174.94 175.08 1aes s THR 275 N 0.48 5.10 -0.28 2.92 2.01 0.84 -4.94 115.64 121.77 1aes s THR 275 Ca 0.01 1.11 -0.09 0.00 0.31 0.00 0.00 61.69 63.02 1aes s THR 275 Cb -0.13 -3.90 -0.02 0.00 0.01 0.00 0.00 72.50 68.46 1aes s THR 275 CO 0.01 0.22 0.13 -0.36 -0.69 0.00 0.00 174.62 173.93 1aes s PHE 276 N 1.22 3.15 0.38 4.92 0.08 -1.26 -1.11 117.98 125.35 1aes s PHE 276 Ca 0.28 -0.43 -0.28 0.00 0.12 0.00 0.00 56.93 56.63 1aes s PHE 276 Cb -0.16 -2.31 -0.11 0.00 -0.57 0.00 0.00 43.02 39.87 1aes s PHE 276 CO 0.12 -0.38 1.45 -2.14 -0.10 0.00 0.00 175.22 174.17 1aes s PRO 277 N 1.63 4.11 0.00 0.24 0.02 -1.26 -4.91 135.00 134.84 1aes s PRO 277 Ca 0.06 2.51 0.10 0.00 0.02 0.00 0.00 61.00 63.69 1aes s PRO 277 Cb -0.16 -2.96 0.49 0.00 0.02 0.00 0.00 34.50 31.89 1aes s PRO 277 CO 0.06 -0.50 1.28 1.17 -0.33 0.00 0.00 177.00 178.67 1aes n LYS 278 N 0.46 0.08 -0.08 5.54 4.81 -1.26 -0.13 118.16 127.58 1aes n LYS 278 Ca 0.01 0.25 0.04 0.00 -0.87 0.00 0.00 58.31 57.74 1aes n LYS 278 Cb 0.40 -1.50 0.14 0.00 0.02 0.00 0.00 35.03 34.09 1aes n LYS 278 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1aes n ASP 279 N -1.39 0.88 -4.80 3.14 5.75 -1.26 -4.92 116.55 113.96 1aes n ASP 279 Ca 0.04 -1.92 -0.34 0.00 -0.01 0.00 0.00 54.79 52.55 1aes n ASP 279 Cb 0.10 -0.10 -0.04 0.00 -1.03 0.00 0.00 41.12 40.04 1aes n ASP 279 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1aes s ALA 280 N -1.80 2.96 0.65 2.12 0.00 0.81 -5.01 121.76 121.50 1aes s ALA 280 Ca 0.15 0.58 -0.18 0.00 0.00 0.00 0.00 51.96 52.51 1aes s ALA 280 Cb 0.07 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 1aes s ALA 280 CO 0.10 -0.19 1.25 -1.25 0.00 0.00 0.00 175.76 175.68 1aes s PRO 281 N -3.04 2.58 0.71 0.00 0.04 -1.26 -5.00 135.00 129.04 1aes s PRO 281 Ca 0.64 1.93 -0.16 0.00 0.04 0.00 0.00 61.00 63.45 1aes s PRO 281 Cb -0.16 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.52 1aes s PRO 281 CO 0.20 -1.54 1.04 0.43 0.04 0.00 0.00 177.00 177.17 1aes n SER 282 N -1.99 0.78 -4.66 6.66 7.64 -1.26 -4.96 113.62 115.83 1aes n SER 282 Ca 0.15 0.69 -0.43 0.00 1.01 0.00 0.00 58.87 60.29 1aes n SER 282 Cb 0.49 -1.44 -0.00 0.00 -1.01 0.00 0.00 64.21 62.25 1aes n SER 282 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1aes n PRO 283 N -1.95 1.80 -3.43 1.43 -0.02 -1.26 -4.94 135.00 126.64 1aes n PRO 283 Ca 0.14 0.64 -0.38 0.00 -2.02 0.00 0.00 63.50 61.87 1aes n PRO 283 Cb 0.49 -2.18 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 1aes n PRO 283 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1aes s PHE 284 N -1.13 3.74 -0.39 6.00 0.08 0.80 -4.80 117.98 122.28 1aes s PHE 284 Ca 0.58 1.07 -0.06 0.00 0.12 0.00 0.00 56.93 58.64 1aes s PHE 284 Cb -0.59 -2.36 0.08 0.00 -0.57 0.00 0.00 43.02 39.58 1aes s PHE 284 CO 0.60 0.60 0.20 0.42 -0.10 0.00 0.00 175.22 176.94 1aes s ILE 285 N -0.98 3.69 0.16 0.64 -1.09 -1.26 -0.83 121.20 121.53 1aes s ILE 285 Ca 0.25 -1.62 -0.24 0.00 -2.23 0.00 0.00 60.65 56.81 1aes s ILE 285 Cb -0.17 -3.32 -0.08 0.00 -1.58 0.00 0.00 42.46 37.30 1aes s ILE 285 CO 0.15 -0.50 0.75 -0.36 -1.23 0.00 0.00 174.94 173.75 1aes s PHE 286 N 1.30 3.88 0.23 3.97 0.08 -1.26 -5.04 117.98 121.13 1aes s PHE 286 Ca 0.03 1.58 -0.30 0.00 0.12 0.00 0.00 56.93 58.37 1aes s PHE 286 Cb -0.22 -2.73 -0.09 0.00 -0.57 0.00 0.00 43.02 39.41 1aes s PHE 286 CO -0.01 0.51 1.23 0.15 -0.10 0.00 0.00 175.22 177.00 1aes s LYS 287 N -1.22 4.47 0.81 0.44 1.02 -1.26 -5.00 119.74 119.00 1aes s LYS 287 Ca 0.36 1.97 -0.11 0.00 0.02 0.00 0.00 55.97 58.20 1aes s LYS 287 Cb -0.22 -3.19 0.08 0.00 -0.52 0.00 0.00 37.83 33.98 1aes s LYS 287 CO 0.25 -0.09 1.09 0.95 -0.92 0.00 0.00 175.35 176.64 1aes s THR 288 N -0.42 3.08 0.22 2.17 -4.23 -1.26 -4.91 115.64 110.29 1aes s THR 288 Ca 0.51 0.35 -0.07 0.00 -1.18 0.00 0.00 61.69 61.30 1aes s THR 288 Cb -0.35 -3.02 0.18 0.00 1.34 0.00 0.00 72.50 70.65 1aes s THR 288 CO 0.41 -0.46 1.74 -0.07 -0.54 0.00 0.00 174.62 175.70 1aes h LEU 289 N -1.16 0.27 -0.41 4.79 3.38 -1.97 -2.18 115.31 118.04 1aes h LEU 289 Ca -0.47 0.09 0.09 0.00 0.09 0.00 0.00 57.88 57.67 1aes h LEU 289 Cb 1.26 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.99 1aes h LEU 289 CO 0.58 0.14 -0.21 -0.08 0.09 0.00 0.00 178.44 178.96 1aes h GLU 290 N 0.44 -0.13 0.00 1.13 4.81 -1.94 0.43 114.58 119.33 1aes h GLU 290 Ca 0.35 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1aes h GLU 290 Cb 0.47 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1aes h GLU 290 CO -0.34 -0.08 0.00 0.93 -0.73 0.00 0.00 179.01 178.78 1aes h GLU 291 N -0.13 0.00 -0.01 1.92 5.08 -1.78 -1.67 114.58 117.99 1aes h GLU 291 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1aes h GLU 291 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1aes h GLU 291 CO -0.49 0.00 -0.26 1.04 -1.00 0.00 0.00 179.01 178.30 1aes n GLN 292 N -2.77 1.00 -2.47 2.33 6.02 -0.03 -4.94 117.38 116.52 1aes n GLN 292 Ca 0.01 -0.64 -0.16 0.00 -0.01 0.00 0.00 57.00 56.20 1aes n GLN 292 Cb 0.25 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.03 1aes n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1aes n GLY 293 N 1.34 -0.27 0.88 1.08 0.00 -0.23 -5.07 105.19 102.92 1aes n GLY 293 Ca 0.12 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.08 1aes n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36