#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c1i h GLU 47 N 0.00 1.12 -0.07 -4.13 4.57 -2.05 0.67 114.58 114.69 2c1i h GLU 47 Ca 0.00 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.04 2c1i h GLU 47 Cb 0.00 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.33 2c1i h GLU 47 CO 0.00 0.74 -0.28 0.37 -1.18 0.00 0.00 179.01 178.67 2c1i h GLN 48 N 1.16 0.12 -0.34 1.92 5.75 -2.05 -1.35 115.11 120.32 2c1i h GLN 48 Ca 0.44 -0.04 -0.14 0.00 -0.15 0.00 0.00 58.65 58.76 2c1i h GLN 48 Cb 0.20 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 2c1i h GLN 48 CO -0.18 0.39 -0.33 -0.22 -2.65 0.00 0.00 178.83 175.84 2c1i h LYS 49 N 0.11 0.82 -0.54 1.69 1.63 -1.34 -0.72 116.57 118.22 2c1i h LYS 49 Ca 0.02 -0.43 -0.02 0.00 -0.85 0.00 0.00 60.65 59.36 2c1i h LYS 49 Cb 0.55 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.17 2c1i h LYS 49 CO 0.04 1.06 0.25 0.82 -3.45 0.00 0.00 179.45 178.17 2c1i h ILE 50 N 0.60 1.21 -0.86 2.00 1.08 -1.04 -1.61 117.51 118.90 2c1i h ILE 50 Ca 0.06 -0.60 0.01 0.00 -0.39 0.00 0.00 64.86 63.94 2c1i h ILE 50 Cb 0.91 0.60 -0.04 0.00 -3.07 0.00 0.00 36.82 35.21 2c1i h ILE 50 CO 0.08 0.24 0.57 -0.33 -0.69 0.00 0.00 178.15 178.01 2c1i h GLU 51 N 0.73 1.11 -0.31 2.37 4.39 -1.11 -1.31 114.58 120.45 2c1i h GLU 51 Ca 0.18 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.69 2c1i h GLU 51 Cb 0.14 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 2c1i h GLU 51 CO -0.02 0.74 -0.34 0.77 -1.16 0.00 0.00 179.01 178.99 2c1i h SER 52 N 1.15 0.72 -0.54 1.42 0.02 -0.58 0.07 113.55 115.81 2c1i h SER 52 Ca 0.32 -0.30 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 2c1i h SER 52 Cb -0.11 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.20 2c1i h SER 52 CO -0.07 1.00 0.23 -0.07 -1.14 0.00 0.00 176.83 176.77 2c1i h LEU 53 N 0.58 0.73 -0.75 5.07 3.38 -0.75 0.34 115.31 123.90 2c1i h LEU 53 Ca 0.06 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 2c1i h LEU 53 Cb 0.86 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2c1i h LEU 53 CO 0.07 0.69 0.11 0.11 0.09 0.00 0.00 178.44 179.51 2c1i h LYS 54 N 0.72 1.06 -0.45 1.13 1.57 -0.97 -1.78 116.57 117.85 2c1i h LYS 54 Ca 0.18 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 2c1i h LYS 54 Cb 0.18 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2c1i h LYS 54 CO -0.02 0.97 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.52 2c1i h LYS 55 N 1.00 0.86 -0.46 3.15 3.64 -0.66 -1.45 116.57 122.66 2c1i h LYS 55 Ca 0.20 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2c1i h LYS 55 Cb 0.42 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2c1i h LYS 55 CO 0.01 0.95 0.29 0.93 -2.27 0.00 0.00 179.45 179.37 2c1i h GLU 56 N 0.70 0.60 -0.46 1.90 5.08 -0.71 0.52 114.58 122.21 2c1i h GLU 56 Ca 0.12 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 2c1i h GLU 56 Cb 0.62 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2c1i h GLU 56 CO 0.04 0.41 -0.09 0.87 -1.00 0.00 0.00 179.01 179.25 2c1i h LYS 57 N 0.61 0.83 -0.69 2.33 1.79 -1.17 -0.23 116.57 120.04 2c1i h LYS 57 Ca 0.17 -0.27 -0.07 0.00 -2.18 0.00 0.00 60.65 58.30 2c1i h LYS 57 Cb -0.05 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.50 2c1i h LYS 57 CO -0.03 0.88 0.16 -0.44 -1.08 0.00 0.00 179.45 178.94 2c1i h ASP 58 N 0.75 1.06 -0.57 0.86 3.32 -0.84 0.13 116.42 121.13 2c1i h ASP 58 Ca 0.13 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 2c1i h ASP 58 Cb 0.58 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 2c1i h ASP 58 CO 0.04 1.03 0.25 0.44 -1.72 0.00 0.00 179.24 179.28 2c1i h ASP 59 N 1.05 0.80 -0.05 6.45 3.32 -0.42 -0.80 116.42 126.77 2c1i h ASP 59 Ca 0.22 -0.10 -0.25 0.00 0.02 0.00 0.00 57.03 56.92 2c1i h ASP 59 Cb 0.39 -0.21 0.02 0.00 0.22 0.00 0.00 39.33 39.75 2c1i h ASP 59 CO 0.00 0.71 -0.93 1.56 -1.72 0.00 0.00 179.24 178.87 2c1i h GLN 60 N 0.87 0.73 0.00 3.56 4.20 -0.73 -3.42 115.11 120.33 2c1i h GLN 60 Ca 0.21 -0.70 0.00 0.00 0.06 0.00 0.00 58.65 58.22 2c1i h GLN 60 Cb 0.16 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2c1i h GLN 60 CO -0.02 1.29 0.00 1.28 -0.67 0.00 0.00 178.83 180.71 2c1i n LEU 61 N -3.88 0.61 -0.31 1.46 4.77 0.44 -4.81 117.00 115.28 2c1i n LEU 61 Ca -0.09 -0.68 -0.01 0.00 -0.03 0.00 0.00 56.01 55.19 2c1i n LEU 61 Cb 0.82 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 42.08 2c1i n LEU 61 CO 0.55 0.15 1.25 0.77 -1.33 0.00 0.00 177.39 178.78 2c1i h SER 62 N 0.00 1.03 -3.19 -1.43 4.64 -1.29 -3.39 113.55 109.93 2c1i h SER 62 Ca 0.00 -0.04 -0.53 0.00 -0.47 0.00 0.00 61.79 60.75 2c1i h SER 62 Cb 0.10 -0.26 0.01 0.00 -0.31 0.00 0.00 62.40 61.94 2c1i h SER 62 CO 0.00 0.76 0.61 -1.61 -0.87 0.00 0.00 176.83 175.72 2c1i s GLU 63 N -5.96 4.41 0.00 4.77 0.41 -1.26 -3.08 118.70 117.99 2c1i s GLU 63 Ca -0.12 1.88 0.00 0.00 -0.41 0.00 0.00 54.97 56.32 2c1i s GLU 63 Cb 0.18 -3.30 0.00 0.00 -1.78 0.00 0.00 34.13 29.23 2c1i s GLU 63 CO 0.81 -0.28 0.00 0.41 -0.49 0.00 0.00 175.26 175.71 2c1i n GLY 64 N 3.11 0.72 3.21 -1.39 0.00 -1.26 -5.01 105.19 104.58 2c1i n GLY 64 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 2c1i n GLY 64 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2c1i s ASN 65 N -2.45 1.68 -0.10 1.61 0.01 -1.18 -0.99 114.94 113.53 2c1i s ASN 65 Ca 0.00 -0.88 0.00 0.00 -0.71 0.00 0.00 52.86 51.28 2c1i s ASN 65 Cb 0.00 -0.01 -0.02 0.00 0.41 0.00 0.00 41.25 41.62 2c1i s ASN 65 CO 0.00 -0.26 -0.10 -1.10 -1.51 0.00 0.00 177.10 174.13 2c1i s GLN 66 N -3.07 3.10 -0.24 -0.60 -0.21 0.04 -4.91 119.66 113.77 2c1i s GLN 66 Ca 0.10 -0.63 -0.12 0.00 0.02 0.00 0.00 55.36 54.73 2c1i s GLN 66 Cb -0.02 -2.62 -0.05 0.00 1.00 0.00 0.00 33.01 31.33 2c1i s GLN 66 CO 0.01 0.41 0.25 0.21 -2.12 0.00 0.00 175.29 174.05 2c1i s LYS 67 N -0.15 4.07 -0.02 2.91 2.20 -1.26 -0.89 119.74 126.60 2c1i s LYS 67 Ca 0.00 -0.13 -0.01 0.00 -0.36 0.00 0.00 55.97 55.48 2c1i s LYS 67 Cb -0.13 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.58 2c1i s LYS 67 CO 0.03 -0.05 0.06 -2.00 -0.36 0.00 0.00 175.35 173.03 2c1i s GLU 68 N 1.37 3.02 -0.04 4.03 2.12 0.70 -4.96 118.70 124.95 2c1i s GLU 68 Ca 0.11 -0.48 -0.02 0.00 0.36 0.00 0.00 54.97 54.94 2c1i s GLU 68 Cb -0.14 -2.83 0.02 0.00 0.26 0.00 0.00 34.13 31.44 2c1i s GLU 68 CO 0.07 0.65 0.08 -1.58 -0.54 0.00 0.00 175.26 173.95 2c1i s HIS 69 N -1.14 -0.08 0.09 5.30 5.65 -1.26 -0.99 115.29 122.87 2c1i s HIS 69 Ca 0.21 0.27 -0.26 0.00 0.25 0.00 0.00 55.06 55.52 2c1i s HIS 69 Cb -0.12 -0.08 0.08 0.00 -1.18 0.00 0.00 32.58 31.28 2c1i s HIS 69 CO 0.12 -0.09 0.91 -0.59 -0.65 0.00 0.00 174.74 174.44 2c1i s PHE 70 N 0.68 -0.23 -0.01 3.88 -0.71 -0.59 -5.02 117.98 115.98 2c1i s PHE 70 Ca -0.05 -0.00 0.03 0.00 -1.04 0.00 0.00 56.93 55.86 2c1i s PHE 70 Cb -0.07 0.60 -0.03 0.00 -1.21 0.00 0.00 43.02 42.30 2c1i s PHE 70 CO -0.03 -0.72 -0.07 1.03 -1.34 0.00 0.00 175.22 174.09 2c1i s ARG 71 N -3.25 2.56 -0.16 1.99 0.52 -1.26 -0.49 118.95 118.86 2c1i s ARG 71 Ca 0.09 -0.71 -0.02 0.00 -0.52 0.00 0.00 55.73 54.57 2c1i s ARG 71 Cb -0.01 -2.50 0.05 0.00 0.52 0.00 0.00 34.95 33.01 2c1i s ARG 71 CO -0.03 0.61 0.00 -1.14 0.02 0.00 0.00 175.30 174.77 2c1i s GLN 72 N -1.31 0.84 6.88 3.54 2.00 0.04 -4.97 119.66 126.67 2c1i s GLN 72 Ca 0.16 -0.32 0.00 0.00 -2.00 0.00 0.00 55.36 53.20 2c1i s GLN 72 Cb -0.11 -1.80 0.00 0.00 0.80 0.00 0.00 33.01 31.90 2c1i s GLN 72 CO 0.06 -0.51 0.00 0.41 -0.50 0.00 0.00 175.29 174.76 2c1i n GLY 73 N 5.03 3.08 0.14 2.59 0.00 -1.26 -1.92 105.19 112.85 2c1i n GLY 73 Ca -0.09 -0.27 0.14 0.00 0.00 0.00 0.00 46.02 45.80 2c1i n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2c1i n GLN 74 N 13.83 0.83 -3.28 1.61 6.02 -1.26 -4.88 117.38 130.25 2c1i n GLN 74 Ca 0.00 -0.29 -0.39 0.00 -0.01 0.00 0.00 57.00 56.31 2c1i n GLN 74 Cb 0.00 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.71 2c1i n GLN 74 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2c1i s ALA 75 N -2.37 3.56 -0.18 -1.58 0.00 -0.81 -4.04 121.76 116.34 2c1i s ALA 75 Ca 0.32 -0.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.15 2c1i s ALA 75 Cb 0.20 -2.64 -0.05 0.00 0.00 0.00 0.00 23.12 20.63 2c1i s ALA 75 CO 0.45 0.30 0.20 -2.00 0.00 0.00 0.00 175.76 174.71 2c1i s GLU 76 N -0.66 4.21 -0.04 0.00 2.12 -0.51 -0.78 118.70 123.03 2c1i s GLU 76 Ca 0.29 -0.08 0.05 0.00 0.36 0.00 0.00 54.97 55.59 2c1i s GLU 76 Cb -0.18 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.78 2c1i s GLU 76 CO 0.17 0.28 -0.21 0.08 -0.54 0.00 0.00 175.26 175.05 2c1i s VAL 77 N 0.38 1.69 -0.13 3.70 1.01 0.36 -0.41 120.40 127.00 2c1i s VAL 77 Ca 0.12 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 2c1i s VAL 77 Cb -0.12 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.85 2c1i s VAL 77 CO 0.01 0.48 -0.08 -0.63 0.00 0.00 0.00 175.10 174.87 2c1i s ILE 78 N -0.12 1.14 -0.10 2.22 1.01 0.10 -1.54 121.20 123.90 2c1i s ILE 78 Ca -0.02 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.25 2c1i s ILE 78 Cb -0.12 -1.16 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 2c1i s ILE 78 CO 0.02 0.34 -0.19 0.00 0.00 0.00 0.00 174.94 175.11 2c1i s ALA 79 N 1.66 2.38 -0.44 9.38 0.00 -0.16 -1.20 121.76 133.38 2c1i s ALA 79 Ca 0.04 -0.95 -0.13 0.00 0.00 0.00 0.00 51.96 50.93 2c1i s ALA 79 Cb -0.13 -0.96 0.07 0.00 0.00 0.00 0.00 23.12 22.10 2c1i s ALA 79 CO -0.09 0.31 0.32 0.71 0.00 0.00 0.00 175.76 177.01 2c1i s TYR 80 N 0.21 3.28 -0.10 0.00 2.02 0.22 -0.21 117.35 122.77 2c1i s TYR 80 Ca -0.12 -1.13 -0.19 0.00 -0.37 0.00 0.00 57.07 55.27 2c1i s TYR 80 Cb -0.16 -2.98 -0.04 0.00 -0.40 0.00 0.00 41.96 38.37 2c1i s TYR 80 CO 0.06 -0.79 0.50 0.71 -1.57 0.00 0.00 175.55 174.47 2c1i s TYR 81 N 1.56 3.54 0.40 2.71 2.02 -0.07 -4.26 117.35 123.25 2c1i s TYR 81 Ca 0.03 0.95 -0.24 0.00 -0.37 0.00 0.00 57.07 57.45 2c1i s TYR 81 Cb -0.23 -2.57 -0.09 0.00 -0.40 0.00 0.00 41.96 38.67 2c1i s TYR 81 CO 0.05 0.20 1.03 -1.25 -1.57 0.00 0.00 175.55 174.00 2c1i s PRO 82 N 0.50 4.19 0.07 -1.71 0.04 -1.26 -0.78 135.00 136.05 2c1i s PRO 82 Ca 0.27 1.44 -0.07 0.00 0.04 0.00 0.00 61.00 62.68 2c1i s PRO 82 Cb -0.16 -2.49 -0.05 0.00 0.04 0.00 0.00 34.50 31.84 2c1i s PRO 82 CO 0.12 -0.11 0.34 -0.51 0.04 0.00 0.00 177.00 176.88 2c1i s LEU 83 N -2.70 4.34 -0.22 -3.56 1.43 -0.16 -1.45 118.68 116.35 2c1i s LEU 83 Ca 0.58 0.64 0.02 0.00 -1.03 0.00 0.00 54.13 54.34 2c1i s LEU 83 Cb -0.20 -2.96 0.05 0.00 0.03 0.00 0.00 46.19 43.11 2c1i s LEU 83 CO 0.25 0.17 -0.11 -1.58 0.23 0.00 0.00 176.35 175.31 2c1i s GLN 84 N -2.07 2.17 5.84 1.70 2.00 0.73 -4.88 119.66 125.15 2c1i s GLN 84 Ca 0.33 -1.05 0.00 0.00 -2.00 0.00 0.00 55.36 52.64 2c1i s GLN 84 Cb -0.13 -2.64 0.00 0.00 0.80 0.00 0.00 33.01 31.04 2c1i s GLN 84 CO 0.19 -0.48 0.00 0.41 -0.50 0.00 0.00 175.29 174.91 2c1i n GLY 85 N 4.58 1.23 0.08 2.59 0.00 -1.26 -2.25 105.19 110.15 2c1i n GLY 85 Ca -0.15 0.43 0.08 0.00 0.00 0.00 0.00 46.02 46.38 2c1i n GLY 85 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2c1i n GLU 86 N 0.00 1.50 -4.81 1.61 4.07 -1.26 -5.02 120.64 116.73 2c1i n GLU 86 Ca 0.00 -2.32 -0.27 0.00 -0.06 0.00 0.00 57.16 54.51 2c1i n GLU 86 Cb 0.00 -1.37 -0.16 0.00 -0.06 0.00 0.00 31.44 29.85 2c1i n GLU 86 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2c1i s LYS 87 N -2.43 2.00 0.28 5.31 2.20 -0.95 -5.09 119.74 121.05 2c1i s LYS 87 Ca 0.25 -0.58 -0.30 0.00 -0.36 0.00 0.00 55.97 54.97 2c1i s LYS 87 Cb 0.22 -1.64 -0.11 0.00 -1.51 0.00 0.00 37.83 34.78 2c1i s LYS 87 CO 0.02 0.14 1.62 0.08 -0.36 0.00 0.00 175.35 176.86 2c1i s VAL 88 N 0.35 2.05 -0.51 4.02 1.01 -1.26 -0.19 120.40 125.87 2c1i s VAL 88 Ca -0.11 0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.63 2c1i s VAL 88 Cb -0.15 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2c1i s VAL 88 CO 0.04 0.01 1.56 -0.63 0.00 0.00 0.00 175.10 176.07 2c1i s ILE 89 N 0.20 3.68 0.22 2.22 1.01 -0.52 -4.84 121.20 123.15 2c1i s ILE 89 Ca 0.65 0.60 -0.09 0.00 0.00 0.00 0.00 60.65 61.80 2c1i s ILE 89 Cb -0.48 -4.18 0.18 0.00 0.01 0.00 0.00 42.46 37.99 2c1i s ILE 89 CO 0.45 -0.93 1.89 0.28 0.00 0.00 0.00 174.94 176.63 2c1i h SER 90 N 11.99 0.92 1.15 3.58 0.02 -1.91 -2.05 113.55 127.27 2c1i h SER 90 Ca -0.28 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.62 2c1i h SER 90 Cb 1.12 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.43 2c1i h SER 90 CO 1.15 0.67 -0.11 0.77 -1.14 0.00 0.00 176.83 178.16 2c1i h SER 91 N 1.09 0.00 -0.04 3.07 4.64 -1.90 -1.58 113.55 118.83 2c1i h SER 91 Ca 0.30 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.46 2c1i h SER 91 Cb -0.12 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 61.98 2c1i h SER 91 CO -0.07 0.11 -0.61 0.58 -0.87 0.00 0.00 176.83 175.98 2c1i h VAL 92 N 0.00 1.39 -0.68 0.95 2.07 -1.78 -2.47 116.25 115.72 2c1i h VAL 92 Ca -0.00 -2.00 0.06 0.00 0.82 0.00 0.00 66.70 65.57 2c1i h VAL 92 Cb 0.72 2.43 -0.05 0.00 -1.52 0.00 0.00 31.29 32.87 2c1i h VAL 92 CO 0.01 0.59 0.39 -0.09 0.02 0.00 0.00 177.57 178.49 2c1i h ARG 93 N 0.03 0.69 -0.70 1.57 2.43 -1.22 -1.57 114.38 115.60 2c1i h ARG 93 Ca -0.07 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2c1i h ARG 93 Cb 1.29 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 2c1i h ARG 93 CO 0.12 0.46 0.43 1.49 -1.51 0.00 0.00 179.97 180.96 2c1i h GLU 94 N 0.71 0.95 -0.61 0.20 4.57 -1.30 -0.45 114.58 118.65 2c1i h GLU 94 Ca 0.30 -0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 58.36 2c1i h GLU 94 Cb 0.18 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 2c1i h GLU 94 CO -0.18 0.67 0.21 1.25 -1.18 0.00 0.00 179.01 179.77 2c1i h LEU 95 N 0.96 0.88 -0.33 1.64 5.85 -0.92 -0.49 115.31 122.90 2c1i h LEU 95 Ca 0.25 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2c1i h LEU 95 Cb -0.05 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 2c1i h LEU 95 CO -0.05 0.84 0.17 0.40 -0.34 0.00 0.00 178.44 179.46 2c1i h ILE 96 N 0.87 1.15 -0.38 4.05 2.04 -1.09 -2.48 117.51 121.68 2c1i h ILE 96 Ca 0.20 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 2c1i h ILE 96 Cb 0.27 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2c1i h ILE 96 CO -0.01 0.16 0.13 0.78 0.00 0.00 0.00 178.15 179.21 2c1i h ASN 97 N 0.40 0.48 -0.74 1.72 2.35 -0.80 -0.98 115.58 118.02 2c1i h ASN 97 Ca 0.11 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 2c1i h ASN 97 Cb 0.10 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 2c1i h ASN 97 CO -0.02 0.46 0.23 -0.61 -1.65 0.00 0.00 177.43 175.85 2c1i h GLN 98 N 0.53 1.15 -0.45 0.81 5.75 -0.79 -1.40 115.11 120.71 2c1i h GLN 98 Ca 0.13 -0.24 -0.09 0.00 -0.15 0.00 0.00 58.65 58.29 2c1i h GLN 98 Cb 0.14 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 2c1i h GLN 98 CO -0.01 0.98 -0.08 0.22 -2.65 0.00 0.00 178.83 177.28 2c1i h ASP 99 N 1.11 0.86 -0.78 -0.69 3.58 -0.86 -2.20 116.42 117.43 2c1i h ASP 99 Ca 0.24 -0.35 0.10 0.00 0.42 0.00 0.00 57.03 57.44 2c1i h ASP 99 Cb 0.30 -0.23 -0.07 0.00 1.72 0.00 0.00 39.33 41.04 2c1i h ASP 99 CO -0.01 1.01 0.42 0.58 -2.88 0.00 0.00 179.24 178.36 2c1i h VAL 100 N 0.70 0.86 -0.51 2.25 2.07 -0.96 -0.21 116.25 120.45 2c1i h VAL 100 Ca 0.12 -0.24 -0.12 0.00 0.82 0.00 0.00 66.70 67.28 2c1i h VAL 100 Cb 0.62 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 2c1i h VAL 100 CO 0.04 0.13 -0.14 0.11 0.02 0.00 0.00 177.57 177.72 2c1i h LYS 101 N 0.69 0.99 0.00 1.57 1.57 -0.98 -3.32 116.57 117.09 2c1i h LYS 101 Ca 0.39 -0.38 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 2c1i h LYS 101 Cb 0.40 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 2c1i h LYS 101 CO -0.27 1.06 -2.11 -0.25 -0.57 0.00 0.00 179.45 177.31 2c1i n ASP 102 N -4.13 1.73 0.00 0.86 8.00 -0.85 -4.72 116.55 117.43 2c1i n ASP 102 Ca 0.01 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.46 2c1i n ASP 102 Cb 0.42 0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.85 2c1i n ASP 102 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2c1i n LYS 103 N -2.82 6.01 -2.37 -1.24 5.02 -0.14 -4.98 118.16 117.64 2c1i n LYS 103 Ca -0.30 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.56 2c1i n LYS 103 Cb 0.95 -0.50 -0.02 0.00 -0.02 0.00 0.00 35.03 35.44 2c1i n LYS 103 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2c1i s LEU 104 N -1.92 4.15 0.13 -0.35 2.96 -0.86 -5.00 118.68 117.78 2c1i s LEU 104 Ca 0.00 1.68 -0.16 0.00 -0.22 0.00 0.00 54.13 55.44 2c1i s LEU 104 Cb 0.00 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.08 2c1i s LEU 104 CO 0.00 -0.83 0.56 -1.61 -1.32 0.00 0.00 176.35 173.14 2c1i s GLU 105 N 3.67 4.04 -1.44 1.98 2.02 -1.26 -4.98 118.70 122.73 2c1i s GLU 105 Ca 0.57 0.56 -0.13 0.00 0.02 0.00 0.00 54.97 55.99 2c1i s GLU 105 Cb -0.22 -3.01 0.05 0.00 0.10 0.00 0.00 34.13 31.05 2c1i s GLU 105 CO 0.17 0.52 2.25 0.45 0.02 0.00 0.00 175.26 178.67 2c1i n SER 106 N 1.04 4.65 -4.63 -0.19 2.88 -1.26 -4.63 113.62 111.48 2c1i n SER 106 Ca -0.07 -2.86 -0.23 0.00 -1.33 0.00 0.00 58.87 54.38 2c1i n SER 106 Cb 0.52 -1.61 -0.07 0.00 -0.75 0.00 0.00 64.21 62.29 2c1i n SER 106 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2c1i s LYS 107 N 2.54 2.24 -1.21 -1.46 1.02 -1.26 -4.48 119.74 117.13 2c1i s LYS 107 Ca 0.48 -1.45 -0.21 0.00 0.02 0.00 0.00 55.97 54.82 2c1i s LYS 107 Cb 0.14 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 2c1i s LYS 107 CO -0.07 0.36 1.80 0.34 -0.92 0.00 0.00 175.35 176.86 2c1i s ASP 108 N -3.66 6.02 0.22 2.83 2.15 -1.26 -2.85 116.67 120.12 2c1i s ASP 108 Ca 0.31 -1.96 0.01 0.00 0.43 0.00 0.00 52.55 51.34 2c1i s ASP 108 Cb -0.06 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 39.93 2c1i s ASP 108 CO 0.19 -2.02 0.08 0.54 -0.17 0.00 0.00 175.17 173.80 2c1i s ASN 109 N 5.38 0.90 -0.20 -0.34 2.20 -1.26 -4.77 114.94 116.85 2c1i s ASN 109 Ca 0.60 -1.32 -0.02 0.00 -0.94 0.00 0.00 52.86 51.17 2c1i s ASN 109 Cb 0.01 0.21 0.00 0.00 -2.00 0.00 0.00 41.25 39.47 2c1i s ASN 109 CO 0.08 -0.72 -0.10 -0.22 -2.94 0.00 0.00 177.10 173.20 2c1i s LEU 110 N -3.23 2.62 -0.11 3.54 2.96 -0.55 -1.43 118.68 122.49 2c1i s LEU 110 Ca 0.34 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 2c1i s LEU 110 Cb 0.07 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 2c1i s LEU 110 CO 0.10 -0.01 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.26 2c1i s VAL 111 N 1.38 2.68 -0.06 1.68 1.01 0.46 -0.54 120.40 127.01 2c1i s VAL 111 Ca 0.05 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.26 2c1i s VAL 111 Cb -0.14 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 2c1i s VAL 111 CO -0.06 0.54 -0.14 -0.36 0.00 0.00 0.00 175.10 175.07 2c1i s PHE 112 N 0.26 2.71 -0.01 5.22 0.08 0.09 -0.72 117.98 125.60 2c1i s PHE 112 Ca -0.12 -0.20 0.08 0.00 0.12 0.00 0.00 56.93 56.80 2c1i s PHE 112 Cb -0.16 -1.65 -0.02 0.00 -0.57 0.00 0.00 43.02 40.62 2c1i s PHE 112 CO 0.06 0.15 -0.24 0.71 -0.10 0.00 0.00 175.22 175.80 2c1i s TYR 113 N -0.64 2.39 0.33 0.36 2.02 -0.34 -0.60 117.35 120.87 2c1i s TYR 113 Ca 0.09 -0.39 -0.18 0.00 -0.37 0.00 0.00 57.07 56.22 2c1i s TYR 113 Cb -0.11 -1.50 0.04 0.00 -0.40 0.00 0.00 41.96 39.99 2c1i s TYR 113 CO 0.01 0.03 0.75 1.52 -1.57 0.00 0.00 175.55 176.28 2c1i s TYR 114 N -0.67 -0.01 0.16 2.71 -0.85 -0.73 -0.61 117.35 117.35 2c1i s TYR 114 Ca 0.11 -0.56 0.00 0.00 -0.52 0.00 0.00 57.07 56.10 2c1i s TYR 114 Cb -0.10 0.76 -0.04 0.00 0.38 0.00 0.00 41.96 42.95 2c1i s TYR 114 CO -0.00 -1.40 0.04 0.95 -1.52 0.00 0.00 175.55 173.62 2c1i s THR 115 N -3.11 0.33 0.01 -3.49 -4.23 -1.26 -0.77 115.64 103.12 2c1i s THR 115 Ca 0.14 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 58.71 2c1i s THR 115 Cb -0.05 -2.13 -0.01 0.00 1.34 0.00 0.00 72.50 71.65 2c1i s THR 115 CO 0.09 -0.42 -0.04 -1.61 -0.54 0.00 0.00 174.62 172.11 2c1i s GLU 116 N -4.01 0.33 0.26 3.99 2.02 -0.72 -4.98 118.70 115.60 2c1i s GLU 116 Ca 0.26 -0.26 -0.28 0.00 0.02 0.00 0.00 54.97 54.71 2c1i s GLU 116 Cb 0.07 -0.26 -0.09 0.00 0.10 0.00 0.00 34.13 33.95 2c1i s GLU 116 CO 0.04 0.07 0.92 -1.14 0.02 0.00 0.00 175.26 175.16 2c1i s GLN 117 N -0.40 4.73 0.08 1.61 0.74 -1.26 -1.53 119.66 123.63 2c1i s GLN 117 Ca -0.01 1.39 -0.00 0.00 0.05 0.00 0.00 55.36 56.78 2c1i s GLN 117 Cb -0.03 -3.11 -0.04 0.00 1.10 0.00 0.00 33.01 30.92 2c1i s GLN 117 CO -0.00 0.44 -0.01 -1.21 -0.55 0.00 0.00 175.29 173.96 2c1i s GLU 118 N -1.48 0.75 0.61 1.67 2.02 -0.06 -4.96 118.70 117.25 2c1i s GLU 118 Ca 0.44 -1.31 -0.18 0.00 0.02 0.00 0.00 54.97 53.93 2c1i s GLU 118 Cb -0.23 0.12 -0.03 0.00 0.10 0.00 0.00 34.13 34.09 2c1i s GLU 118 CO 0.29 -0.13 1.19 -1.21 0.02 0.00 0.00 175.26 175.41 2c1i s GLU 119 N -3.94 2.91 0.02 1.61 0.41 -1.26 -0.43 118.70 118.02 2c1i s GLU 119 Ca 0.13 1.74 0.22 0.00 -0.41 0.00 0.00 54.97 56.65 2c1i s GLU 119 Cb 0.07 -1.93 -0.26 0.00 -1.78 0.00 0.00 34.13 30.23 2c1i s GLU 119 CO -0.06 -1.23 0.62 -1.13 -0.49 0.00 0.00 175.26 172.97 2c1i n SER 120 N -1.77 0.22 0.00 -0.19 3.41 -1.21 -4.53 113.62 109.54 2c1i n SER 120 Ca 0.13 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2c1i n SER 120 Cb 0.50 1.63 0.00 0.00 -0.26 0.00 0.00 64.21 66.08 2c1i n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c1i n GLY 121 N 1.25 1.06 3.48 5.00 0.00 -1.26 -4.22 105.19 110.50 2c1i n GLY 121 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2c1i n GLY 121 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c1i s LEU 122 N 0.00 2.68 0.01 0.99 1.43 -1.26 -4.48 118.68 118.05 2c1i s LEU 122 Ca 0.00 -0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 52.24 2c1i s LEU 122 Cb 0.00 -1.53 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 2c1i s LEU 122 CO 0.00 0.19 1.30 -0.75 0.23 0.00 0.00 176.35 177.31 2c1i s LYS 123 N -2.07 4.34 -0.09 1.70 2.20 0.53 -2.91 119.74 123.44 2c1i s LYS 123 Ca 0.17 1.85 0.00 0.00 -0.36 0.00 0.00 55.97 57.63 2c1i s LYS 123 Cb -0.11 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 2c1i s LYS 123 CO 0.09 -0.45 0.00 0.41 -0.36 0.00 0.00 175.35 175.04 2c1i n GLY 124 N 3.45 0.49 3.17 5.54 0.00 -1.26 -4.78 105.19 111.79 2c1i n GLY 124 Ca 0.11 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 2c1i n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c1i s VAL 125 N -1.97 1.61 0.24 1.61 1.01 -1.15 -3.43 120.40 118.33 2c1i s VAL 125 Ca 0.00 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.27 2c1i s VAL 125 Cb 0.00 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 2c1i s VAL 125 CO 0.00 0.46 -0.18 0.68 0.00 0.00 0.00 175.10 176.06 2c1i s VAL 126 N 0.05 2.12 0.07 2.92 -7.23 0.54 -3.35 120.40 115.53 2c1i s VAL 126 Ca -0.06 -2.29 0.06 0.00 -1.81 0.00 0.00 61.98 57.88 2c1i s VAL 126 Cb -0.13 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 2c1i s VAL 126 CO 0.03 -0.47 -0.07 0.20 -0.31 0.00 0.00 175.10 174.48 2c1i s ASN 127 N -3.36 4.60 -0.26 4.85 0.02 0.43 0.08 114.94 121.30 2c1i s ASN 127 Ca 0.26 -0.27 -0.06 0.00 -1.02 0.00 0.00 52.86 51.77 2c1i s ASN 127 Cb -0.03 -0.98 -0.01 0.00 0.02 0.00 0.00 41.25 40.25 2c1i s ASN 127 CO 0.11 0.21 0.03 -0.13 0.02 0.00 0.00 177.10 177.33 2c1i s ARG 128 N -2.01 3.31 -0.04 -0.60 1.81 -0.05 -0.88 118.95 120.50 2c1i s ARG 128 Ca 0.21 -0.69 -0.20 0.00 -1.72 0.00 0.00 55.73 53.34 2c1i s ARG 128 Cb -0.11 -3.21 -0.05 0.00 -0.45 0.00 0.00 34.95 31.12 2c1i s ARG 128 CO 0.13 -0.29 0.55 -0.80 -0.68 0.00 0.00 175.30 174.21 2c1i s ASN 129 N 1.51 6.89 -0.23 0.23 0.01 -0.58 -1.38 114.94 121.39 2c1i s ASN 129 Ca 0.04 1.06 -0.07 0.00 -0.71 0.00 0.00 52.86 53.18 2c1i s ASN 129 Cb -0.16 -2.34 -0.03 0.00 0.41 0.00 0.00 41.25 39.13 2c1i s ASN 129 CO 0.00 0.09 0.07 -0.69 -1.51 0.00 0.00 177.10 175.06 2c1i s VAL 130 N -0.02 4.50 -0.12 1.60 1.01 -0.12 -1.75 120.40 125.50 2c1i s VAL 130 Ca 0.29 -0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 2c1i s VAL 130 Cb -0.17 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 2c1i s VAL 130 CO 0.15 0.38 0.05 -0.89 0.00 0.00 0.00 175.10 174.79 2c1i s THR 131 N 1.19 4.75 -0.11 3.92 2.01 0.05 0.63 115.64 128.09 2c1i s THR 131 Ca 0.05 -0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.01 2c1i s THR 131 Cb -0.14 -3.06 0.01 0.00 0.01 0.00 0.00 72.50 69.32 2c1i s THR 131 CO 0.03 0.57 -0.21 -0.75 -0.69 0.00 0.00 174.62 173.57 2c1i s LYS 132 N -0.61 2.84 -0.07 4.92 2.20 -0.61 -1.77 119.74 126.62 2c1i s LYS 132 Ca 0.11 -0.80 0.03 0.00 -0.36 0.00 0.00 55.97 54.95 2c1i s LYS 132 Cb -0.12 -2.22 0.01 0.00 -1.51 0.00 0.00 37.83 33.98 2c1i s LYS 132 CO 0.02 0.08 -0.16 -1.14 -0.36 0.00 0.00 175.35 173.79 2c1i s GLN 133 N 0.60 2.13 -0.16 4.03 0.74 0.23 -0.57 119.66 126.66 2c1i s GLN 133 Ca -0.13 -0.58 0.00 0.00 0.05 0.00 0.00 55.36 54.70 2c1i s GLN 133 Cb -0.17 -1.70 -0.00 0.00 1.10 0.00 0.00 33.01 32.24 2c1i s GLN 133 CO 0.04 0.09 -0.15 0.42 -0.55 0.00 0.00 175.29 175.14 2c1i s ILE 134 N 0.51 2.69 -0.14 -2.34 1.01 0.07 -0.73 121.20 122.26 2c1i s ILE 134 Ca -0.15 -0.76 -0.06 0.00 0.00 0.00 0.00 60.65 59.68 2c1i s ILE 134 Cb -0.16 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 2c1i s ILE 134 CO 0.05 0.51 0.06 -0.31 0.00 0.00 0.00 174.94 175.26 2c1i s TYR 135 N 0.85 3.31 -0.10 3.97 2.02 0.29 -1.34 117.35 126.35 2c1i s TYR 135 Ca -0.04 0.21 -0.12 0.00 -0.37 0.00 0.00 57.07 56.74 2c1i s TYR 135 Cb -0.15 -1.97 -0.04 0.00 -0.40 0.00 0.00 41.96 39.40 2c1i s TYR 135 CO -0.01 0.37 -0.24 -3.47 -1.57 0.00 0.00 175.55 170.64 2c1i n ASP 136 N 2.80 1.58 -4.35 2.29 2.03 -1.26 -1.48 116.55 118.16 2c1i n ASP 136 Ca -0.18 0.26 -0.45 0.00 0.52 0.00 0.00 54.79 54.94 2c1i n ASP 136 Cb 0.53 -0.62 -0.06 0.00 -0.72 0.00 0.00 41.12 40.25 2c1i n ASP 136 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2c1i s ILE 142 N -2.54 5.15 0.04 5.18 1.09 -1.26 -4.79 121.20 124.08 2c1i s ILE 142 Ca -0.20 -1.23 -0.00 0.00 -1.10 0.00 0.00 60.65 58.11 2c1i s ILE 142 Cb 0.03 -4.28 -0.04 0.00 -1.06 0.00 0.00 42.46 37.11 2c1i s ILE 142 CO 0.30 -0.80 0.17 -0.70 -0.10 0.00 0.00 174.94 173.81 2c1i s GLU 143 N 1.80 3.33 0.02 2.79 -6.30 -1.26 -5.12 118.70 113.96 2c1i s GLU 143 Ca 0.05 -0.45 -0.07 0.00 -2.50 0.00 0.00 54.97 52.00 2c1i s GLU 143 Cb -0.27 -3.00 -0.00 0.00 0.00 0.00 0.00 34.13 30.86 2c1i s GLU 143 CO 0.05 0.62 0.14 -1.83 0.02 0.00 0.00 175.26 174.27 2c1i s GLU 144 N -2.27 0.57 -0.01 4.30 4.04 -1.26 -4.38 118.70 119.69 2c1i s GLU 144 Ca 0.31 -0.57 0.00 0.00 0.04 0.00 0.00 54.97 54.76 2c1i s GLU 144 Cb -0.13 0.23 0.01 0.00 0.02 0.00 0.00 34.13 34.26 2c1i s GLU 144 CO 0.23 -0.15 -0.00 0.99 -1.84 0.00 0.00 175.26 174.49 2c1i s THR 145 N -2.07 0.07 0.10 1.83 2.01 -0.45 -5.00 115.64 112.14 2c1i s THR 145 Ca -0.09 0.01 0.09 0.00 0.31 0.00 0.00 61.69 62.00 2c1i s THR 145 Cb -0.04 -0.10 -0.04 0.00 0.01 0.00 0.00 72.50 72.34 2c1i s THR 145 CO -0.02 0.05 -0.22 -1.83 -0.69 0.00 0.00 174.62 171.91 2c1i s GLU 146 N 0.26 1.19 -0.27 4.92 -1.05 -1.26 -0.75 118.70 121.73 2c1i s GLU 146 Ca -0.02 -1.19 -0.03 0.00 -0.15 0.00 0.00 54.97 53.58 2c1i s GLU 146 Cb -0.04 -1.50 0.03 0.00 -0.44 0.00 0.00 34.13 32.18 2c1i s GLU 146 CO -0.01 0.35 -0.01 0.21 0.95 0.00 0.00 175.26 176.75 2c1i s LYS 147 N -1.91 2.82 0.50 -4.83 2.47 0.26 -5.00 119.74 114.06 2c1i s LYS 147 Ca 0.08 -1.01 -0.14 0.00 -1.56 0.00 0.00 55.97 53.35 2c1i s LYS 147 Cb -0.10 -3.13 -0.07 0.00 -1.46 0.00 0.00 37.83 33.08 2c1i s LYS 147 CO 0.04 -0.46 0.93 -0.08 0.16 0.00 0.00 175.35 175.95 2c1i s THR 148 N 1.36 4.64 -0.97 3.43 -1.32 -1.26 -1.58 115.64 119.93 2c1i s THR 148 Ca -0.00 0.97 -0.10 0.00 -1.21 0.00 0.00 61.69 61.35 2c1i s THR 148 Cb -0.17 -3.75 0.01 0.00 -1.51 0.00 0.00 72.50 67.08 2c1i s THR 148 CO -0.02 -0.73 0.19 -0.24 -2.21 0.00 0.00 174.62 171.61 2c1i n SER 149 N -1.73 -0.77 -0.32 8.08 2.88 -1.07 -4.78 113.62 115.91 2c1i n SER 149 Ca 0.05 -0.89 0.22 0.00 -1.33 0.00 0.00 58.87 56.92 2c1i n SER 149 Cb 0.54 -1.09 0.49 0.00 -0.75 0.00 0.00 64.21 63.40 2c1i n SER 149 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2c1i h LEU 150 N -0.90 0.47 -8.09 2.46 5.85 0.10 -3.45 115.31 111.75 2c1i h LEU 150 Ca -0.47 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2c1i h LEU 150 Cb 0.97 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 2c1i h LEU 150 CO 0.43 0.10 0.13 -0.83 -0.34 0.00 0.00 178.44 177.93 2c1i s GLY 151 N -3.90 0.25 -0.06 3.75 0.00 -1.20 -5.01 107.32 101.14 2c1i s GLY 151 Ca -0.09 -0.61 -0.09 0.00 0.00 0.00 0.00 44.72 43.93 2c1i s GLY 151 CO 0.80 -0.32 0.24 1.25 0.00 0.00 0.00 173.10 175.07 2c1i s LYS 152 N -3.56 0.39 0.02 2.90 2.20 -1.26 -0.95 119.74 119.48 2c1i s LYS 152 Ca 0.16 0.13 0.07 0.00 -0.36 0.00 0.00 55.97 55.98 2c1i s LYS 152 Cb -0.04 0.18 -0.02 0.00 -1.51 0.00 0.00 37.83 36.43 2c1i s LYS 152 CO 0.09 -0.07 -0.22 0.14 -0.36 0.00 0.00 175.35 174.93 2c1i s VAL 153 N -0.36 1.77 -0.06 4.02 -7.23 -0.48 -4.98 120.40 113.08 2c1i s VAL 153 Ca -0.05 -1.14 -0.05 0.00 -1.81 0.00 0.00 61.98 58.93 2c1i s VAL 153 Cb -0.03 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.35 2c1i s VAL 153 CO 0.01 0.33 0.15 -1.00 -0.31 0.00 0.00 175.10 174.29 2c1i s HIS 154 N -0.70 3.55 -0.00 2.82 0.09 -1.26 -0.87 115.29 118.92 2c1i s HIS 154 Ca 0.09 0.43 -0.04 0.00 -0.00 0.00 0.00 55.06 55.53 2c1i s HIS 154 Cb -0.09 -1.87 -0.00 0.00 -0.00 0.00 0.00 32.58 30.61 2c1i s HIS 154 CO 0.01 0.68 0.07 -0.51 -0.00 0.00 0.00 174.74 174.99 2c1i s LEU 155 N -1.48 1.80 0.85 0.89 1.43 0.11 -1.00 118.68 121.27 2c1i s LEU 155 Ca 0.21 -0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 2c1i s LEU 155 Cb -0.12 0.38 0.10 0.00 0.03 0.00 0.00 46.19 46.58 2c1i s LEU 155 CO 0.11 -0.24 1.09 0.42 0.23 0.00 0.00 176.35 177.96 2c1i s THR 156 N -0.97 2.92 0.60 5.49 -4.23 -0.27 -0.34 115.64 118.84 2c1i s THR 156 Ca -0.11 0.30 0.30 0.00 -1.18 0.00 0.00 61.69 61.01 2c1i s THR 156 Cb -0.06 -2.74 0.36 0.00 1.34 0.00 0.00 72.50 71.40 2c1i s THR 156 CO 0.00 -0.39 2.22 -0.08 -0.54 0.00 0.00 174.62 175.83 2c1i h GLU 157 N -1.40 0.00 -0.64 3.99 4.81 -1.90 -1.06 114.58 118.38 2c1i h GLU 157 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2c1i h GLU 157 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2c1i h GLU 157 CO 0.52 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.40 2c1i n ASP 158 N -3.77 4.13 0.00 1.04 5.75 -1.26 -4.93 116.55 117.50 2c1i n ASP 158 Ca -0.02 -2.42 0.00 0.00 -0.01 0.00 0.00 54.79 52.34 2c1i n ASP 158 Cb 0.15 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 2c1i n ASP 158 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2c1i n GLY 159 N 0.94 0.61 3.82 6.12 0.00 -0.40 -5.01 105.19 111.27 2c1i n GLY 159 Ca 0.21 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 2c1i n GLY 159 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c1i s GLN 160 N -1.86 2.99 0.27 1.61 -1.52 -1.26 -4.54 119.66 115.34 2c1i s GLN 160 Ca 0.00 -0.78 -0.30 0.00 -1.95 0.00 0.00 55.36 52.33 2c1i s GLN 160 Cb 0.00 -2.72 -0.11 0.00 -0.22 0.00 0.00 33.01 29.96 2c1i s GLN 160 CO 0.00 0.51 1.57 -2.14 -0.25 0.00 0.00 175.29 174.98 2c1i s PRO 161 N -2.94 4.16 -0.17 2.91 0.02 -1.26 -1.12 135.00 136.61 2c1i s PRO 161 Ca 0.31 2.50 -0.01 0.00 0.02 0.00 0.00 61.00 63.83 2c1i s PRO 161 Cb -0.11 -3.06 -0.00 0.00 0.02 0.00 0.00 34.50 31.35 2c1i s PRO 161 CO 0.24 -0.59 -0.13 0.12 -0.33 0.00 0.00 177.00 176.31 2c1i s PHE 162 N 0.16 2.83 0.30 6.54 5.36 -0.17 -4.70 117.98 128.29 2c1i s PHE 162 Ca 0.64 -0.99 0.11 0.00 -0.96 0.00 0.00 56.93 55.72 2c1i s PHE 162 Cb -0.46 -1.93 -0.05 0.00 -0.34 0.00 0.00 43.02 40.24 2c1i s PHE 162 CO 0.45 -0.47 -0.14 0.95 -1.46 0.00 0.00 175.22 174.55 2c1i s THR 163 N 0.90 2.50 0.44 0.12 -4.23 -1.26 -4.39 115.64 109.73 2c1i s THR 163 Ca -0.03 -2.28 0.16 0.00 -1.18 0.00 0.00 61.69 58.36 2c1i s THR 163 Cb -0.15 -2.47 0.35 0.00 1.34 0.00 0.00 72.50 71.56 2c1i s THR 163 CO -0.01 -0.33 1.96 0.25 -0.54 0.00 0.00 174.62 175.95 2c1i h LEU 164 N 2.14 0.33 -1.74 4.79 5.85 -1.76 -1.04 115.31 123.88 2c1i h LEU 164 Ca -0.41 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.29 2c1i h LEU 164 Cb 1.26 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 2c1i h LEU 164 CO 0.63 0.18 -0.15 -2.24 -0.34 0.00 0.00 178.44 176.52 2c1i h ASP 165 N 0.35 0.00 0.53 1.25 2.03 -1.90 -2.28 116.42 116.41 2c1i h ASP 165 Ca 0.31 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.61 2c1i h ASP 165 Cb 0.71 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.21 2c1i h ASP 165 CO -0.08 0.15 0.00 0.00 -1.03 0.00 0.00 179.24 178.28 2c1i n GLN 166 N -4.24 0.11 0.15 4.15 6.02 -0.39 -2.19 117.38 120.99 2c1i n GLN 166 Ca -0.02 0.39 0.13 0.00 -0.01 0.00 0.00 57.00 57.48 2c1i n GLN 166 Cb 0.22 -1.72 0.43 0.00 1.02 0.00 0.00 30.24 30.19 2c1i n GLN 166 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2c1i h LEU 167 N 0.00 0.00 -8.85 1.08 5.85 -1.54 -3.46 115.31 108.39 2c1i h LEU 167 Ca 0.00 0.00 -0.69 0.00 0.84 0.00 0.00 57.88 58.03 2c1i h LEU 167 Cb 0.27 0.00 -0.24 0.00 0.37 0.00 0.00 40.66 41.05 2c1i h LEU 167 CO 0.00 0.00 -0.84 -0.36 -0.34 0.00 0.00 178.44 176.90 2c1i s PHE 168 N -3.25 2.45 0.30 1.25 0.08 -0.93 0.22 117.98 118.10 2c1i s PHE 168 Ca 0.07 -0.33 0.13 0.00 0.12 0.00 0.00 56.93 56.93 2c1i s PHE 168 Cb 0.10 -1.44 0.59 0.00 -0.57 0.00 0.00 43.02 41.70 2c1i s PHE 168 CO 0.54 0.19 1.73 0.66 -0.10 0.00 0.00 175.22 178.24 2c1i h SER 169 N 4.71 0.00 -3.42 1.36 4.64 -1.22 -3.40 113.55 116.22 2c1i h SER 169 Ca -0.47 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.24 2c1i h SER 169 Cb 1.15 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.84 2c1i h SER 169 CO 0.46 0.47 -0.75 -0.62 -0.87 0.00 0.00 176.83 175.52 2c1i s ASP 170 N -6.79 3.67 0.26 4.97 -1.08 -1.24 -5.00 116.67 111.46 2c1i s ASP 170 Ca -0.02 -2.48 -0.05 0.00 -0.52 0.00 0.00 52.55 49.49 2c1i s ASP 170 Cb 0.13 -0.99 0.31 0.00 -1.46 0.00 0.00 42.92 40.91 2c1i s ASP 170 CO 0.73 -0.29 1.93 0.00 0.52 0.00 0.00 175.17 178.06 2c1i h ALA 171 N 6.92 1.31 -0.10 3.66 0.00 -1.83 -0.97 119.26 128.24 2c1i h ALA 171 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2c1i h ALA 171 Cb 0.94 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2c1i h ALA 171 CO 0.47 0.63 0.03 1.03 0.00 0.00 0.00 179.25 181.41 2c1i h SER 172 N 1.31 0.15 -0.47 0.00 0.87 -1.97 -0.75 113.55 112.69 2c1i h SER 172 Ca 0.36 -0.20 -0.11 0.00 -1.23 0.00 0.00 61.79 60.62 2c1i h SER 172 Cb -0.13 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 2c1i h SER 172 CO -0.08 0.31 -0.10 0.50 -0.53 0.00 0.00 176.83 176.92 2c1i h LYS 173 N -0.02 0.94 -0.15 2.24 3.64 -1.96 -2.61 116.57 118.65 2c1i h LYS 173 Ca 0.03 -0.33 -0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2c1i h LYS 173 Cb 0.21 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2c1i h LYS 173 CO -0.00 0.99 0.09 0.00 -2.27 0.00 0.00 179.45 178.26 2c1i h ALA 174 N 1.04 0.19 -0.43 5.00 0.00 -0.99 0.27 119.26 124.33 2c1i h ALA 174 Ca 0.14 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.08 2c1i h ALA 174 Cb 0.64 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 2c1i h ALA 174 CO 0.04 -0.30 0.10 -0.22 0.00 0.00 0.00 179.25 178.87 2c1i h LYS 175 N 0.17 0.23 -0.29 0.00 3.64 -1.10 0.69 116.57 119.91 2c1i h LYS 175 Ca 0.05 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 2c1i h LYS 175 Cb 0.02 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.72 2c1i h LYS 175 CO -0.01 0.15 -0.14 1.49 -2.27 0.00 0.00 179.45 178.68 2c1i h GLU 176 N 0.24 -0.09 -0.55 1.90 4.81 -1.05 0.18 114.58 120.03 2c1i h GLU 176 Ca 0.21 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 2c1i h GLU 176 Cb 0.25 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 2c1i h GLU 176 CO -0.26 -0.06 0.13 1.96 -0.73 0.00 0.00 179.01 180.05 2c1i h GLN 177 N -0.09 0.84 -0.16 1.92 4.20 0.39 -1.97 115.11 120.24 2c1i h GLN 177 Ca 0.15 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 2c1i h GLN 177 Cb 0.32 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2c1i h GLN 177 CO -0.35 0.75 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.47 2c1i h LEU 178 N 0.81 0.29 -0.85 1.46 3.38 0.10 -1.18 115.31 119.33 2c1i h LEU 178 Ca 0.18 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2c1i h LEU 178 Cb 0.29 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2c1i h LEU 178 CO -0.00 0.56 0.45 0.40 0.09 0.00 0.00 178.44 179.94 2c1i h ILE 179 N 0.01 1.25 0.61 1.22 1.08 -0.63 0.38 117.51 121.43 2c1i h ILE 179 Ca 0.04 -0.65 -0.03 0.00 -0.39 0.00 0.00 64.86 63.83 2c1i h ILE 179 Cb 0.43 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 2c1i h ILE 179 CO 0.01 0.29 -0.32 0.11 -0.69 0.00 0.00 178.15 177.55 2c1i h LYS 180 N 1.19 -0.83 -0.25 2.37 1.57 -1.29 0.12 116.57 119.45 2c1i h LYS 180 Ca 0.30 0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 59.08 2c1i h LYS 180 Cb 0.06 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2c1i h LYS 180 CO -0.04 -0.55 -0.08 0.93 -0.57 0.00 0.00 179.45 179.14 2c1i h GLU 181 N -0.86 0.40 -0.18 3.15 4.39 -1.12 -1.91 114.58 118.44 2c1i h GLU 181 Ca -0.08 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 2c1i h GLU 181 Cb 0.68 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2c1i h GLU 181 CO 0.11 0.49 0.10 1.25 -1.16 0.00 0.00 179.01 179.80 2c1i h LEU 182 N 0.38 0.22 -0.68 1.33 5.85 -0.08 -2.02 115.31 120.32 2c1i h LEU 182 Ca 0.08 -0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.60 2c1i h LEU 182 Cb 0.38 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2c1i h LEU 182 CO 0.02 0.22 -0.38 0.00 -0.34 0.00 0.00 178.44 177.97 2c1i h THR 183 N 0.20 1.29 -0.60 1.05 1.03 -0.50 -2.67 112.91 112.71 2c1i h THR 183 Ca 0.06 -1.53 0.03 0.00 -0.01 0.00 0.00 66.41 64.96 2c1i h THR 183 Cb 0.05 1.50 -0.03 0.00 -1.07 0.00 0.00 68.15 68.59 2c1i h THR 183 CO -0.01 0.49 0.40 0.28 -0.01 0.00 0.00 175.52 176.66 2c1i h SER 184 N 0.50 0.63 0.00 0.00 0.02 -1.28 -3.51 113.55 109.90 2c1i h SER 184 Ca 0.05 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2c1i h SER 184 Cb 0.88 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.27 2c1i h SER 184 CO 0.08 0.44 0.00 0.33 -1.14 0.00 0.00 176.83 176.54 2c1i n PHE 185 N -4.46 0.00 -1.39 3.45 7.35 -0.77 -5.10 117.46 116.54 2c1i n PHE 185 Ca 0.07 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.33 2c1i n PHE 185 Cb 0.11 -0.32 -0.00 0.00 0.35 0.00 0.00 39.48 39.62 2c1i n PHE 185 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2c1i n ASP 207 N -1.46 -1.63 -0.36 -2.13 8.00 -1.26 -5.09 116.55 112.62 2c1i n ASP 207 Ca 0.00 0.90 0.03 0.00 0.71 0.00 0.00 54.79 56.43 2c1i n ASP 207 Cb 0.00 -1.01 0.19 0.00 -0.02 0.00 0.00 41.12 40.28 2c1i n ASP 207 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2c1i h LEU 208 N 0.66 1.01 -2.04 0.64 7.12 -1.98 -0.19 115.31 120.53 2c1i h LEU 208 Ca -0.38 0.01 0.12 0.00 0.13 0.00 0.00 57.88 57.77 2c1i h LEU 208 Cb 1.42 -0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 41.33 2c1i h LEU 208 CO 0.50 0.63 0.34 0.77 -0.13 0.00 0.00 178.44 180.55 2c1i h SER 209 N 1.14 0.00 0.09 1.25 4.64 -1.94 -2.11 113.55 116.62 2c1i h SER 209 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 2c1i h SER 209 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2c1i h SER 209 CO -0.18 0.00 -0.15 0.00 -0.87 0.00 0.00 176.83 175.63 2c1i n ALA 210 N -2.54 2.86 -2.10 5.18 0.00 -0.09 -4.36 120.51 119.45 2c1i n ALA 210 Ca 0.07 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 2c1i n ALA 210 Cb 0.53 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 2c1i n ALA 210 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2c1i s TRP 211 N -2.25 3.21 -0.03 0.00 0.52 -0.79 -4.99 118.94 114.61 2c1i s TRP 211 Ca 0.30 0.94 -0.30 0.00 0.02 0.00 0.00 56.10 57.05 2c1i s TRP 211 Cb 0.20 -3.72 -0.03 0.00 -1.15 0.00 0.00 33.47 28.77 2c1i s TRP 211 CO 0.43 -2.50 1.03 -0.80 0.02 0.00 0.00 176.95 175.13 2c1i s ASN 212 N 0.99 7.28 0.16 2.95 0.01 -1.26 -4.70 114.94 120.36 2c1i s ASN 212 Ca 0.64 1.67 -0.11 0.00 -0.71 0.00 0.00 52.86 54.35 2c1i s ASN 212 Cb -0.38 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 38.72 2c1i s ASN 212 CO 0.32 -0.36 0.33 0.72 -1.51 0.00 0.00 177.10 176.60 2c1i s PHE 213 N 1.40 0.20 0.23 2.20 -0.12 -1.26 -2.21 117.98 118.42 2c1i s PHE 213 Ca 0.52 -0.57 0.01 0.00 -0.05 0.00 0.00 56.93 56.84 2c1i s PHE 213 Cb -0.21 0.07 -0.05 0.00 -0.63 0.00 0.00 43.02 42.20 2c1i s PHE 213 CO 0.25 -0.74 0.09 0.34 -0.05 0.00 0.00 175.22 175.11 2c1i s ASP 214 N -2.92 0.92 -0.06 1.98 -1.08 -0.03 -4.99 116.67 110.50 2c1i s ASP 214 Ca 0.13 -1.35 0.00 0.00 -0.52 0.00 0.00 52.55 50.81 2c1i s ASP 214 Cb 0.02 0.21 0.02 0.00 -1.46 0.00 0.00 42.92 41.72 2c1i s ASP 214 CO -0.03 -0.74 -0.03 -0.47 0.52 0.00 0.00 175.17 174.42 2c1i s TYR 215 N -3.85 0.77 -0.24 -5.34 5.04 -1.26 -0.58 117.35 111.90 2c1i s TYR 215 Ca 0.36 -0.23 -0.26 0.00 -2.44 0.00 0.00 57.07 54.50 2c1i s TYR 215 Cb 0.07 -0.73 0.10 0.00 0.35 0.00 0.00 41.96 41.75 2c1i s TYR 215 CO 0.12 -0.25 0.86 -1.59 -1.34 0.00 0.00 175.55 173.35 2c1i s LYS 216 N 1.24 0.71 -1.42 4.97 -2.85 -0.68 -4.53 119.74 117.19 2c1i s LYS 216 Ca -0.06 0.66 -0.06 0.00 -1.00 0.00 0.00 55.97 55.51 2c1i s LYS 216 Cb -0.14 0.34 0.04 0.00 -2.06 0.00 0.00 37.83 36.01 2c1i s LYS 216 CO -0.02 -0.12 0.78 -3.47 0.10 0.00 0.00 175.35 172.61 2c1i n ASP 217 N 2.07 -2.48 -1.63 0.03 2.03 -1.26 -1.59 116.55 113.72 2c1i n ASP 217 Ca -0.14 -0.83 -0.15 0.00 0.52 0.00 0.00 54.79 54.19 2c1i n ASP 217 Cb 0.56 -3.83 -0.02 0.00 -0.72 0.00 0.00 41.12 37.11 2c1i n ASP 217 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2c1i n SER 218 N -2.95 -4.68 -4.06 1.67 7.64 -1.26 -4.98 113.62 104.99 2c1i n SER 218 Ca -0.16 0.07 -0.18 0.00 1.01 0.00 0.00 58.87 59.61 2c1i n SER 218 Cb 0.62 -3.75 -0.14 0.00 -1.01 0.00 0.00 64.21 59.93 2c1i n SER 218 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2c1i s GLN 219 N -4.44 0.75 -0.14 1.43 -0.21 -0.62 -0.77 119.66 115.66 2c1i s GLN 219 Ca 0.00 -0.50 -0.20 0.00 0.02 0.00 0.00 55.36 54.68 2c1i s GLN 219 Cb 0.00 -0.70 -0.03 0.00 1.00 0.00 0.00 33.01 33.27 2c1i s GLN 219 CO 0.00 0.18 0.58 0.42 -2.12 0.00 0.00 175.29 174.35 2c1i s ILE 220 N -0.55 5.10 -0.22 1.08 1.01 0.74 -1.68 121.20 126.68 2c1i s ILE 220 Ca 0.01 1.13 -0.06 0.00 0.00 0.00 0.00 60.65 61.73 2c1i s ILE 220 Cb -0.06 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 2c1i s ILE 220 CO 0.00 0.23 0.04 -0.63 0.00 0.00 0.00 174.94 174.58 2c1i s ILE 221 N 1.18 4.18 -0.10 2.92 1.01 0.26 -0.67 121.20 129.98 2c1i s ILE 221 Ca 0.29 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.70 2c1i s ILE 221 Cb -0.16 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 2c1i s ILE 221 CO 0.12 0.39 -0.03 -0.76 0.00 0.00 0.00 174.94 174.66 2c1i s LEU 222 N 1.23 3.37 -0.18 2.97 1.02 0.18 -0.86 118.68 126.42 2c1i s LEU 222 Ca 0.04 0.01 -0.00 0.00 0.02 0.00 0.00 54.13 54.20 2c1i s LEU 222 Cb -0.15 -1.77 0.01 0.00 0.02 0.00 0.00 46.19 44.30 2c1i s LEU 222 CO 0.02 0.31 -0.15 -0.31 0.02 0.00 0.00 176.35 176.23 2c1i s TYR 223 N -0.45 2.81 0.33 0.29 1.51 -0.94 -0.24 117.35 120.65 2c1i s TYR 223 Ca 0.07 -1.29 0.05 0.00 -1.01 0.00 0.00 57.07 54.89 2c1i s TYR 223 Cb -0.12 -1.94 -0.07 0.00 -0.11 0.00 0.00 41.96 39.72 2c1i s TYR 223 CO 0.02 -0.64 0.04 -1.83 -1.11 0.00 0.00 175.55 172.03 2c1i s GLU 233 N 1.14 1.67 -0.07 -0.62 -1.05 -1.26 -4.98 118.70 113.53 2c1i s GLU 233 Ca 0.01 -1.92 0.01 0.00 -0.15 0.00 0.00 54.97 52.91 2c1i s GLU 233 Cb -0.14 -1.00 0.02 0.00 -0.44 0.00 0.00 34.13 32.57 2c1i s GLU 233 CO -0.06 -0.14 -0.07 0.42 0.95 0.00 0.00 175.26 176.36 2c1i s ILE 234 N -3.19 0.82 -0.22 1.83 1.01 0.67 -5.13 121.20 117.00 2c1i s ILE 234 Ca 0.35 -0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.72 2c1i s ILE 234 Cb 0.08 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.70 2c1i s ILE 234 CO 0.15 0.31 -0.00 0.00 0.00 0.00 0.00 174.94 175.40 2c1i s ALA 235 N 1.22 2.96 -0.10 9.38 0.00 -1.26 0.51 121.76 134.46 2c1i s ALA 235 Ca -0.05 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.84 2c1i s ALA 235 Cb -0.14 -1.80 0.01 0.00 0.00 0.00 0.00 23.12 21.19 2c1i s ALA 235 CO -0.02 -0.33 -0.18 -0.51 0.00 0.00 0.00 175.76 174.72 2c1i s LEU 236 N 1.32 1.85 0.22 0.00 1.02 0.16 -4.96 118.68 118.29 2c1i s LEU 236 Ca 0.04 -0.47 -0.32 0.00 0.02 0.00 0.00 54.13 53.41 2c1i s LEU 236 Cb -0.15 -1.18 -0.13 0.00 0.02 0.00 0.00 46.19 44.75 2c1i s LEU 236 CO 0.00 0.06 1.49 -0.81 0.02 0.00 0.00 176.35 177.11 2c1i n PRO 237 N 3.97 2.15 0.24 1.29 -0.04 -1.26 -0.18 135.00 141.17 2c1i n PRO 237 Ca -0.20 0.77 0.10 0.00 -0.04 0.00 0.00 63.50 64.13 2c1i n PRO 237 Cb 0.52 -2.48 0.62 0.00 -0.04 0.00 0.00 33.50 32.12 2c1i n PRO 237 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2c1i h VAL 238 N 3.29 0.76 -0.65 0.52 3.04 -1.28 -2.84 116.25 119.09 2c1i h VAL 238 Ca -0.45 -0.69 0.09 0.00 -1.01 0.00 0.00 66.70 64.64 2c1i h VAL 238 Cb 1.26 1.42 -0.04 0.00 -2.01 0.00 0.00 31.29 31.92 2c1i h VAL 238 CO 0.81 0.17 0.43 0.28 -1.01 0.00 0.00 177.57 178.25 2c1i h SER 239 N 0.00 0.48 -0.00 3.17 0.02 -1.90 -1.01 113.55 114.31 2c1i h SER 239 Ca -0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2c1i h SER 239 Cb 0.40 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 2c1i h SER 239 CO 0.02 0.29 0.02 0.00 -1.14 0.00 0.00 176.83 176.03 2c1i h ALA 240 N 1.67 1.12 -0.31 3.77 0.00 -1.89 -2.89 119.26 120.73 2c1i h ALA 240 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2c1i h ALA 240 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2c1i h ALA 240 CO -0.09 -0.03 0.00 1.19 0.00 0.00 0.00 179.25 180.32 2c1i n PHE 241 N -3.21 0.58 0.28 0.00 3.72 -0.39 -4.65 117.46 113.79 2c1i n PHE 241 Ca -0.03 -0.61 0.13 0.00 -0.05 0.00 0.00 57.45 56.89 2c1i n PHE 241 Cb 0.09 -0.11 0.81 0.00 -0.94 0.00 0.00 39.48 39.34 2c1i n PHE 241 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 2c1i h PHE 242 N 1.88 0.00 -0.06 1.38 0.04 -1.52 0.68 116.94 119.34 2c1i h PHE 242 Ca 0.00 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.79 2c1i h PHE 242 Cb 0.92 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.07 2c1i h PHE 242 CO 0.30 0.02 0.06 -0.44 -0.60 0.00 0.00 178.31 177.64 2c1i h ASP 243 N 0.00 0.00 0.00 2.17 3.32 -1.85 -3.10 116.42 116.96 2c1i h ASP 243 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2c1i h ASP 243 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2c1i h ASP 243 CO 0.00 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.85 2c1i n VAL 244 N -4.00 0.57 -2.76 -1.35 0.24 0.12 -5.00 118.33 106.15 2c1i n VAL 244 Ca -0.02 -0.60 -0.38 0.00 -2.04 0.00 0.00 64.34 61.31 2c1i n VAL 244 Cb 0.15 0.75 -0.06 0.00 -1.47 0.00 0.00 33.84 33.21 2c1i n VAL 244 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 2c1i s ILE 245 N -0.57 4.16 -0.83 1.34 1.10 -0.52 -0.90 121.20 124.98 2c1i s ILE 245 Ca 0.00 1.86 -0.22 0.00 -0.51 0.00 0.00 60.65 61.78 2c1i s ILE 245 Cb 0.00 -4.06 0.08 0.00 0.15 0.00 0.00 42.46 38.62 2c1i s ILE 245 CO 0.00 0.21 1.17 -1.58 -2.11 0.00 0.00 174.94 172.63 2c1i s GLN 246 N -1.89 3.36 0.64 3.50 2.00 0.13 -4.38 119.66 123.03 2c1i s GLN 246 Ca 0.49 -1.05 0.41 0.00 -2.00 0.00 0.00 55.36 53.21 2c1i s GLN 246 Cb -0.20 -4.66 2.14 0.00 0.80 0.00 0.00 33.01 31.09 2c1i s GLN 246 CO 0.26 -1.95 2.27 0.66 -0.50 0.00 0.00 175.29 176.03 2c1i h SER 247 N 9.50 0.00 0.06 6.67 4.64 -1.95 -2.55 113.55 129.92 2c1i h SER 247 Ca -0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2c1i h SER 247 Cb 1.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2c1i h SER 247 CO 1.23 0.00 -0.00 0.77 -0.87 0.00 0.00 176.83 177.96 2c1i h SER 248 N 0.00 0.00 0.01 4.97 4.64 -1.96 -1.46 113.55 119.74 2c1i h SER 248 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c1i h SER 248 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2c1i h SER 248 CO 0.00 0.00 -0.01 -1.22 -0.87 0.00 0.00 176.83 174.74 2c1i n TYR 249 N -3.21 0.00 -3.00 4.77 4.01 -0.96 -4.75 117.16 114.03 2c1i n TYR 249 Ca -0.03 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.31 2c1i n TYR 249 Cb 0.09 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.06 2c1i n TYR 249 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2c1i s LEU 250 N -2.02 4.41 0.00 7.72 1.43 -0.55 -0.34 118.68 129.32 2c1i s LEU 250 Ca 0.41 1.38 -0.14 0.00 -1.03 0.00 0.00 54.13 54.75 2c1i s LEU 250 Cb 0.21 -3.19 0.20 0.00 0.03 0.00 0.00 46.19 43.44 2c1i s LEU 250 CO 0.36 -0.02 0.88 0.18 0.23 0.00 0.00 176.35 177.98 2c1i n LEU 251 N 3.06 0.00 -0.29 1.79 4.77 -1.26 -4.55 117.00 120.52 2c1i n LEU 251 Ca -0.02 -0.95 -0.02 0.00 -0.03 0.00 0.00 56.01 54.99 2c1i n LEU 251 Cb 0.51 -0.75 0.09 0.00 -2.33 0.00 0.00 43.42 40.94 2c1i n LEU 251 CO 0.47 -1.62 1.20 -0.08 -1.33 0.00 0.00 177.39 176.03 2c1i h GLU 252 N 0.00 1.00 -0.01 3.23 4.81 -1.97 0.18 114.58 121.82 2c1i h GLU 252 Ca -0.31 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.85 2c1i h GLU 252 Cb 0.91 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2c1i h GLU 252 CO 0.21 0.66 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.91 2c1i h LYS 253 N 1.03 0.04 -0.28 1.92 1.63 -2.00 -1.69 116.57 117.21 2c1i h LYS 253 Ca 0.32 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 60.07 2c1i h LYS 253 Cb -0.02 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 2c1i h LYS 253 CO -0.10 0.60 0.08 -0.44 -3.45 0.00 0.00 179.45 176.14 2c1i h ASP 254 N -0.53 0.36 -0.18 4.20 3.32 -1.86 -1.93 116.42 119.81 2c1i h ASP 254 Ca 0.00 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.90 2c1i h ASP 254 Cb 0.60 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 2c1i h ASP 254 CO 0.01 0.37 -0.26 0.00 -1.72 0.00 0.00 179.24 177.63 2c1i h ALA 255 N 1.69 0.93 -0.36 3.45 0.00 -0.42 0.57 119.26 125.11 2c1i h ALA 255 Ca 0.10 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 2c1i h ALA 255 Cb 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2c1i h ALA 255 CO -0.01 0.61 -0.31 0.00 0.00 0.00 0.00 179.25 179.55 2c1i h ALA 256 N 1.14 0.78 -0.48 0.00 0.00 -0.86 0.33 119.26 120.16 2c1i h ALA 256 Ca 0.08 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2c1i h ALA 256 Cb 0.75 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2c1i h ALA 256 CO 0.06 0.65 0.22 -0.07 0.00 0.00 0.00 179.25 180.11 2c1i h LEU 257 N 0.67 0.63 -0.64 0.00 3.38 -0.86 -1.50 115.31 116.99 2c1i h LEU 257 Ca 0.07 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2c1i h LEU 257 Cb 0.84 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 2c1i h LEU 257 CO 0.07 0.60 0.29 0.22 0.09 0.00 0.00 178.44 179.71 2c1i h TYR 258 N 0.63 0.95 -0.42 1.13 3.20 -0.66 -1.31 116.97 120.49 2c1i h TYR 258 Ca 0.16 -0.06 0.04 0.00 3.14 0.00 0.00 58.73 62.02 2c1i h TYR 258 Cb 0.14 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.08 2c1i h TYR 258 CO -0.00 0.73 0.18 0.37 -1.64 0.00 0.00 178.16 177.79 2c1i h GLN 259 N 0.90 0.35 -0.61 1.82 5.75 -0.66 0.21 115.11 122.87 2c1i h GLN 259 Ca 0.22 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.71 2c1i h GLN 259 Cb 0.16 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 2c1i h GLN 259 CO -0.02 0.23 0.39 0.77 -2.65 0.00 0.00 178.83 177.55 2c1i h SER 260 N 0.36 0.67 -0.43 -0.69 0.02 -0.98 0.39 113.55 112.90 2c1i h SER 260 Ca 0.19 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.16 2c1i h SER 260 Cb 0.14 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 2c1i h SER 260 CO -0.17 0.48 0.20 0.22 -1.14 0.00 0.00 176.83 176.43 2c1i h TYR 261 N 0.80 0.37 -0.45 3.45 3.20 -0.55 -0.55 116.97 123.24 2c1i h TYR 261 Ca 0.23 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.05 2c1i h TYR 261 Cb -0.07 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 2c1i h TYR 261 CO -0.04 0.18 0.01 0.35 -1.64 0.00 0.00 178.16 177.02 2c1i h PHE 262 N 0.41 0.86 -0.69 -3.82 3.57 -0.12 -0.33 116.94 116.82 2c1i h PHE 262 Ca 0.19 -0.15 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 2c1i h PHE 262 Cb 0.11 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 2c1i h PHE 262 CO -0.11 0.83 0.18 -0.44 -2.23 0.00 0.00 178.31 176.54 2c1i h ASP 263 N 0.64 1.02 -0.51 0.41 3.32 -0.65 -1.14 116.42 119.51 2c1i h ASP 263 Ca 0.13 -0.20 -0.10 0.00 0.02 0.00 0.00 57.03 56.87 2c1i h ASP 263 Cb 0.49 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2c1i h ASP 263 CO 0.02 0.97 -0.08 0.11 -1.72 0.00 0.00 179.24 178.54 2c1i h LYS 264 N 1.03 0.95 -0.39 3.56 1.57 -0.91 -2.50 116.57 119.88 2c1i h LYS 264 Ca 0.22 -0.35 0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2c1i h LYS 264 Cb 0.34 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2c1i h LYS 264 CO -0.00 1.01 0.26 -0.22 -0.57 0.00 0.00 179.45 179.93 2c1i h LYS 265 N 0.81 0.46 -0.63 3.15 1.63 -0.54 -2.24 116.57 119.22 2c1i h LYS 265 Ca 0.13 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 2c1i h LYS 265 Cb 0.64 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 2c1i h LYS 265 CO 0.04 0.31 0.00 0.72 -3.45 0.00 0.00 179.45 177.07 2c1i n HIS 266 N -4.48 1.23 -2.40 1.91 8.25 -0.48 -4.83 115.22 114.42 2c1i n HIS 266 Ca 0.03 -0.49 -0.42 0.00 -0.26 0.00 0.00 57.72 56.58 2c1i n HIS 266 Cb 0.10 -0.21 -0.03 0.00 1.12 0.00 0.00 29.99 30.98 2c1i n HIS 266 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2c1i s GLN 267 N -1.77 4.43 -1.18 -0.41 -0.21 -0.85 -4.92 119.66 114.76 2c1i s GLN 267 Ca 0.42 1.80 -0.11 0.00 0.02 0.00 0.00 55.36 57.50 2c1i s GLN 267 Cb 0.27 -3.33 0.22 0.00 1.00 0.00 0.00 33.01 31.17 2c1i s GLN 267 CO 0.21 -0.25 1.37 1.63 -2.12 0.00 0.00 175.29 176.12 2c1i n LYS 268 N 3.79 3.53 -4.30 2.91 5.02 -1.26 -4.29 118.16 123.56 2c1i n LYS 268 Ca 0.09 -4.09 -0.28 0.00 -2.02 0.00 0.00 58.31 52.01 2c1i n LYS 268 Cb 0.46 -2.82 -0.10 0.00 -0.02 0.00 0.00 35.03 32.55 2c1i n LYS 268 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2c1i s VAL 269 N 0.15 3.05 -0.04 -0.18 -7.23 -1.26 -0.49 120.40 114.40 2c1i s VAL 269 Ca 0.38 -1.61 -0.06 0.00 -1.81 0.00 0.00 61.98 58.87 2c1i s VAL 269 Cb -0.04 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.44 2c1i s VAL 269 CO -0.02 -0.04 0.16 0.54 -0.31 0.00 0.00 175.10 175.43 2c1i s VAL 270 N -1.52 0.03 -0.27 1.32 0.11 -0.39 -0.43 120.40 119.25 2c1i s VAL 270 Ca 0.22 -0.23 -0.04 0.00 -2.93 0.00 0.00 61.98 59.01 2c1i s VAL 270 Cb -0.09 -0.31 0.02 0.00 -1.53 0.00 0.00 36.38 34.47 2c1i s VAL 270 CO 0.13 -0.13 0.00 0.00 -3.33 0.00 0.00 175.10 171.78 2c1i s ALA 271 N -0.40 2.86 0.04 1.54 0.00 -0.22 -0.99 121.76 124.59 2c1i s ALA 271 Ca -0.05 -1.48 -0.29 0.00 0.00 0.00 0.00 51.96 50.14 2c1i s ALA 271 Cb -0.03 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 2c1i s ALA 271 CO 0.01 -0.90 0.91 -0.51 0.00 0.00 0.00 175.76 175.27 2c1i s LEU 272 N 1.39 4.42 0.04 0.00 1.43 -1.26 -0.92 118.68 123.79 2c1i s LEU 272 Ca 0.01 1.63 0.03 0.00 -1.03 0.00 0.00 54.13 54.76 2c1i s LEU 272 Cb -0.17 -3.47 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 2c1i s LEU 272 CO -0.01 -0.13 -0.10 0.42 0.23 0.00 0.00 176.35 176.76 2c1i s THR 273 N 0.45 0.72 -0.09 5.49 -4.23 -0.29 -2.04 115.64 115.65 2c1i s THR 273 Ca 0.46 -0.98 0.01 0.00 -1.18 0.00 0.00 61.69 60.00 2c1i s THR 273 Cb -0.21 -0.72 0.02 0.00 1.34 0.00 0.00 72.50 72.93 2c1i s THR 273 CO 0.27 -0.21 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.69 2c1i s PHE 274 N -1.08 1.32 0.10 3.99 0.08 -0.16 -1.18 117.98 121.05 2c1i s PHE 274 Ca -0.05 -0.57 0.00 0.00 0.12 0.00 0.00 56.93 56.44 2c1i s PHE 274 Cb -0.08 -1.08 -0.04 0.00 -0.57 0.00 0.00 43.02 41.25 2c1i s PHE 274 CO 0.01 -0.38 0.26 -0.80 -0.10 0.00 0.00 175.22 174.20 2c1i s ASN 275 N 1.29 6.37 0.00 1.36 -0.87 0.07 -0.41 114.94 122.75 2c1i s ASN 275 Ca -0.03 0.27 0.00 0.00 -1.57 0.00 0.00 52.86 51.53 2c1i s ASN 275 Cb -0.14 -1.96 0.00 0.00 -0.02 0.00 0.00 41.25 39.13 2c1i s ASN 275 CO -0.03 0.11 0.00 0.47 -2.57 0.00 0.00 177.10 175.08 2c1i n ASP 276 N -0.03 0.00 -2.13 -1.22 8.00 -0.63 -3.12 116.55 117.43 2c1i n ASP 276 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 2c1i n ASP 276 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2c1i n ASP 276 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2c1i n GLY 277 N -2.00 -0.10 3.77 0.44 0.00 -1.26 -4.55 105.19 101.49 2c1i n GLY 277 Ca 0.00 -1.76 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 2c1i n GLY 277 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2c1i s PRO 278 N -0.22 2.58 -0.18 1.61 0.04 -1.26 -1.16 135.00 136.41 2c1i s PRO 278 Ca 0.00 1.32 -0.01 0.00 0.04 0.00 0.00 61.00 62.35 2c1i s PRO 278 Cb 0.00 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.66 2c1i s PRO 278 CO 0.00 -1.41 -0.03 1.21 0.04 0.00 0.00 177.00 176.81 2c1i s ASN 279 N -2.87 3.00 0.54 6.66 2.47 -1.26 -4.92 114.94 118.56 2c1i s ASN 279 Ca 0.65 -0.78 0.36 0.00 0.42 0.00 0.00 52.86 53.51 2c1i s ASN 279 Cb -0.19 -0.86 1.95 0.00 -1.45 0.00 0.00 41.25 40.69 2c1i s ASN 279 CO 0.47 -0.23 2.12 1.55 -3.72 0.00 0.00 177.10 177.29 2c1i h PRO 280 N 8.13 0.00 -0.00 0.43 0.13 -1.97 0.11 132.00 138.82 2c1i h PRO 280 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2c1i h PRO 280 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2c1i h PRO 280 CO 0.38 0.00 -0.44 0.00 -0.23 0.00 0.00 178.00 177.71 2c1i n ALA 281 N -1.98 3.43 0.00 -0.56 0.00 -1.26 -4.58 120.51 115.56 2c1i n ALA 281 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2c1i n ALA 281 Cb 0.08 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.41 2c1i n ALA 281 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2c1i n THR 282 N -1.23 0.00 -0.35 0.00 -2.24 -0.73 -4.87 114.28 104.85 2c1i n THR 282 Ca 0.08 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.83 2c1i n THR 282 Cb 0.34 -0.04 0.11 0.00 -2.10 0.00 0.00 70.33 68.64 2c1i n THR 282 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2c1i h THR 283 N 0.00 1.22 -0.97 4.28 2.02 -0.96 -1.80 112.91 116.70 2c1i h THR 283 Ca 0.00 -0.43 0.08 0.00 0.77 0.00 0.00 66.41 66.83 2c1i h THR 283 Cb 0.05 -0.14 -0.07 0.00 -1.74 0.00 0.00 68.15 66.25 2c1i h THR 283 CO 0.00 0.23 0.62 -0.65 0.37 0.00 0.00 175.52 176.09 2c1i h PRO 284 N 1.26 1.06 -0.38 6.66 0.11 -1.81 -0.34 132.00 138.55 2c1i h PRO 284 Ca 0.35 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 66.26 2c1i h PRO 284 Cb -0.11 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.75 2c1i h PRO 284 CO -0.09 0.70 -0.31 0.37 -0.21 0.00 0.00 178.00 178.46 2c1i h GLN 285 N 1.09 0.84 -0.63 1.05 5.75 -1.69 -0.65 115.11 120.87 2c1i h GLN 285 Ca 0.43 -0.40 0.01 0.00 -0.15 0.00 0.00 58.65 58.55 2c1i h GLN 285 Cb 0.24 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 2c1i h GLN 285 CO -0.20 1.03 0.40 0.28 -2.65 0.00 0.00 178.83 177.70 2c1i h VAL 286 N 0.71 1.13 -0.50 2.39 2.07 -0.75 -0.30 116.25 120.99 2c1i h VAL 286 Ca 0.08 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2c1i h VAL 286 Cb 0.87 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2c1i h VAL 286 CO 0.08 0.15 0.26 -0.07 0.02 0.00 0.00 177.57 178.01 2c1i h LEU 287 N 0.82 0.65 -0.63 2.57 3.38 -0.77 0.18 115.31 121.50 2c1i h LEU 287 Ca 0.24 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2c1i h LEU 287 Cb -0.06 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2c1i h LEU 287 CO -0.07 0.57 0.37 -0.08 0.09 0.00 0.00 178.44 179.33 2c1i h GLU 288 N 0.67 0.86 -0.30 1.13 4.81 -0.67 -1.29 114.58 119.80 2c1i h GLU 288 Ca 0.18 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 2c1i h GLU 288 Cb 0.09 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2c1i h GLU 288 CO -0.03 0.63 0.04 1.15 -0.73 0.00 0.00 179.01 180.07 2c1i h THR 289 N 0.86 1.24 -0.93 0.32 2.02 -0.60 -0.49 112.91 115.32 2c1i h THR 289 Ca 0.23 -0.84 0.03 0.00 0.77 0.00 0.00 66.41 66.60 2c1i h THR 289 Cb -0.01 1.21 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 2c1i h THR 289 CO -0.04 0.27 0.60 -0.07 0.37 0.00 0.00 175.52 176.66 2c1i h LEU 290 N 0.32 1.01 -0.75 2.58 3.38 -0.80 -2.00 115.31 119.06 2c1i h LEU 290 Ca 0.09 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2c1i h LEU 290 Cb 0.37 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2c1i h LEU 290 CO 0.01 0.70 0.25 0.00 0.09 0.00 0.00 178.44 179.49 2c1i h ALA 291 N 1.38 0.97 -0.85 1.53 0.00 -1.02 -1.31 119.26 119.97 2c1i h ALA 291 Ca 0.37 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2c1i h ALA 291 Cb -0.02 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.43 2c1i h ALA 291 CO -0.11 0.64 0.53 -0.22 0.00 0.00 0.00 179.25 180.09 2c1i h LYS 292 N 1.10 0.97 -0.37 0.00 3.64 -0.50 -2.25 116.57 119.15 2c1i h LYS 292 Ca 0.24 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2c1i h LYS 292 Cb 0.28 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2c1i h LYS 292 CO -0.01 0.64 0.00 0.66 -2.27 0.00 0.00 179.45 178.47 2c1i n TYR 293 N -4.60 0.49 -3.47 1.91 4.01 -0.81 -4.94 117.16 109.75 2c1i n TYR 293 Ca 0.11 -0.24 -0.21 0.00 -0.16 0.00 0.00 57.90 57.40 2c1i n TYR 293 Cb 0.14 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.24 2c1i n TYR 293 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2c1i n ASP 294 N 0.86 -5.07 -4.22 7.72 2.03 -0.57 -5.00 116.55 112.30 2c1i n ASP 294 Ca 0.17 -0.52 -0.13 0.00 0.52 0.00 0.00 54.79 54.83 2c1i n ASP 294 Cb 0.43 -4.73 -0.10 0.00 -0.72 0.00 0.00 41.12 35.99 2c1i n ASP 294 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2c1i s ILE 295 N -3.31 0.92 0.29 5.18 -4.36 -0.75 -5.05 121.20 114.13 2c1i s ILE 295 Ca 0.41 -2.00 0.10 0.00 -0.26 0.00 0.00 60.65 58.90 2c1i s ILE 295 Cb -0.18 -1.86 -0.05 0.00 1.25 0.00 0.00 42.46 41.63 2c1i s ILE 295 CO 0.68 -0.73 -0.04 -0.54 0.24 0.00 0.00 174.94 174.55 2c1i s LYS 296 N -3.81 2.11 0.34 0.37 -0.14 -1.26 -4.43 119.74 112.92 2c1i s LYS 296 Ca 0.17 -1.58 0.04 0.00 -1.36 0.00 0.00 55.97 53.24 2c1i s LYS 296 Cb 0.04 -2.02 -0.02 0.00 -1.68 0.00 0.00 37.83 34.16 2c1i s LYS 296 CO -0.00 0.29 0.36 0.00 -0.76 0.00 0.00 175.35 175.24 2c1i s ALA 297 N -2.42 1.51 -0.09 5.17 0.00 -1.26 -4.57 121.76 120.10 2c1i s ALA 297 Ca 0.32 -1.90 0.03 0.00 0.00 0.00 0.00 51.96 50.40 2c1i s ALA 297 Cb -0.04 1.36 0.01 0.00 0.00 0.00 0.00 23.12 24.45 2c1i s ALA 297 CO 0.19 -0.71 -0.17 0.99 0.00 0.00 0.00 175.76 176.05 2c1i s THR 298 N -3.23 1.56 -0.24 0.00 2.01 -0.86 -1.84 115.64 113.04 2c1i s THR 298 Ca 0.37 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 61.62 2c1i s THR 298 Cb 0.01 -1.39 0.00 0.00 0.01 0.00 0.00 72.50 71.13 2c1i s THR 298 CO 0.26 0.45 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.25 2c1i s PHE 299 N 0.67 3.01 -0.52 4.92 0.40 0.25 -0.99 117.98 125.73 2c1i s PHE 299 Ca -0.13 -1.12 -0.18 0.00 -0.60 0.00 0.00 56.93 54.90 2c1i s PHE 299 Cb -0.16 -2.11 0.08 0.00 0.51 0.00 0.00 43.02 41.34 2c1i s PHE 299 CO 0.03 -0.61 0.56 -0.06 0.70 0.00 0.00 175.22 175.85 2c1i s PHE 300 N 1.44 3.12 0.13 0.36 0.08 0.45 -0.09 117.98 123.47 2c1i s PHE 300 Ca 0.04 -0.86 0.02 0.00 0.12 0.00 0.00 56.93 56.25 2c1i s PHE 300 Cb -0.15 -3.59 -0.04 0.00 -0.57 0.00 0.00 43.02 38.67 2c1i s PHE 300 CO -0.03 -1.03 0.25 0.14 -0.10 0.00 0.00 175.22 174.45 2c1i s VAL 301 N 2.21 5.24 -0.03 -0.44 -7.23 -0.49 -1.61 120.40 118.06 2c1i s VAL 301 Ca 0.09 -0.66 -0.22 0.00 -1.81 0.00 0.00 61.98 59.39 2c1i s VAL 301 Cb -0.23 -3.65 -0.05 0.00 0.56 0.00 0.00 36.38 33.00 2c1i s VAL 301 CO 0.08 -0.03 0.65 -0.76 -0.31 0.00 0.00 175.10 174.73 2c1i s LEU 302 N -3.02 4.38 0.28 1.32 1.43 -0.31 -0.71 118.68 122.05 2c1i s LEU 302 Ca 0.34 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.63 2c1i s LEU 302 Cb -0.11 -3.01 0.52 0.00 0.03 0.00 0.00 46.19 43.61 2c1i s LEU 302 CO 0.28 0.01 1.84 1.23 0.23 0.00 0.00 176.35 179.94 2c1i h GLY 303 N 6.09 1.61 2.00 -3.19 0.00 -0.91 -0.40 103.07 108.27 2c1i h GLY 303 Ca -0.43 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.47 2c1i h GLY 303 CO 0.72 0.19 0.00 0.07 0.00 0.00 0.00 176.54 177.53 2c1i h LYS 304 N 1.03 0.00 -0.02 4.80 2.10 -1.19 -2.14 116.57 121.15 2c1i h LYS 304 Ca 0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.13 2c1i h LYS 304 Cb 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2c1i h LYS 304 CO -0.25 0.00 -0.04 0.09 -2.00 0.00 0.00 179.45 177.26 2c1i n ASN 305 N -3.05 1.69 0.07 7.07 3.02 -0.16 -4.16 115.26 119.73 2c1i n ASN 305 Ca -0.01 -1.51 -0.20 0.00 -0.03 0.00 0.00 54.58 52.82 2c1i n ASN 305 Cb 0.20 0.02 -0.11 0.00 -0.61 0.00 0.00 39.78 39.28 2c1i n ASN 305 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2c1i h VAL 306 N 2.59 1.30 -2.72 2.41 2.07 -1.39 -3.39 116.25 117.11 2c1i h VAL 306 Ca 0.00 -2.38 -0.52 0.00 0.82 0.00 0.00 66.70 64.61 2c1i h VAL 306 Cb 0.58 2.54 0.05 0.00 -1.52 0.00 0.00 31.29 32.94 2c1i h VAL 306 CO 0.00 0.73 0.97 -0.55 0.02 0.00 0.00 177.57 178.73 2c1i s SER 307 N -7.34 6.47 0.00 0.57 0.15 -1.26 -0.50 113.70 111.79 2c1i s SER 307 Ca -0.09 2.75 0.00 0.00 0.70 0.00 0.00 55.95 59.31 2c1i s SER 307 Cb 0.06 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2c1i s SER 307 CO 0.92 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 175.06 2c1i n GLY 308 N 3.90 2.64 0.41 9.45 0.00 -1.26 -4.82 105.19 115.52 2c1i n GLY 308 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 2c1i n GLY 308 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2c1i n ASN 309 N 0.00 1.93 -0.27 1.61 3.02 0.34 -4.83 115.26 117.07 2c1i n ASN 309 Ca 0.00 -3.60 -0.05 0.00 -0.03 0.00 0.00 54.58 50.90 2c1i n ASN 309 Cb 0.00 -0.49 0.06 0.00 -0.61 0.00 0.00 39.78 38.74 2c1i n ASN 309 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2c1i h GLU 310 N 0.64 1.06 -0.13 3.52 3.07 -1.81 -0.58 114.58 120.34 2c1i h GLU 310 Ca -0.00 -0.14 -0.08 0.00 -0.50 0.00 0.00 59.36 58.64 2c1i h GLU 310 Cb 1.01 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.70 2c1i h GLU 310 CO 0.00 0.80 -0.30 -0.44 -1.40 0.00 0.00 179.01 177.68 2c1i h ASP 311 N 1.04 0.25 -0.31 1.42 3.32 -1.91 0.00 116.42 120.24 2c1i h ASP 311 Ca 0.26 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 2c1i h ASP 311 Cb 0.07 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2c1i h ASP 311 CO -0.04 0.54 -0.07 0.25 -1.72 0.00 0.00 179.24 178.20 2c1i h LEU 312 N 0.22 0.60 -0.67 1.55 5.85 -1.74 -0.09 115.31 121.03 2c1i h LEU 312 Ca 0.03 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 2c1i h LEU 312 Cb 0.64 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 2c1i h LEU 312 CO 0.05 0.82 0.35 0.58 -0.34 0.00 0.00 178.44 179.90 2c1i h VAL 313 N 0.36 1.21 -0.53 1.05 2.07 -0.74 -1.09 116.25 118.58 2c1i h VAL 313 Ca 0.08 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 2c1i h VAL 313 Cb 0.56 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2c1i h VAL 313 CO 0.03 0.24 0.27 0.11 0.02 0.00 0.00 177.57 178.24 2c1i h LYS 314 N 0.92 0.73 -0.74 1.57 1.57 -0.82 -2.38 116.57 117.41 2c1i h LYS 314 Ca 0.23 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 2c1i h LYS 314 Cb 0.07 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 2c1i h LYS 314 CO -0.03 0.56 0.22 -0.09 -0.57 0.00 0.00 179.45 179.53 2c1i h ARG 315 N 0.73 1.16 -0.43 3.15 2.43 -0.34 0.83 114.38 121.92 2c1i h ARG 315 Ca 0.19 -0.26 0.06 0.00 -0.81 0.00 0.00 59.98 59.16 2c1i h ARG 315 Cb 0.06 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.39 2c1i h ARG 315 CO -0.03 0.99 0.12 0.82 -1.51 0.00 0.00 179.97 180.37 2c1i h ILE 316 N 1.11 0.82 -0.31 1.20 2.04 -0.70 -1.67 117.51 120.00 2c1i h ILE 316 Ca 0.24 -0.09 -0.18 0.00 1.00 0.00 0.00 64.86 65.82 2c1i h ILE 316 Cb 0.32 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2c1i h ILE 316 CO -0.01 0.05 -0.51 0.50 0.00 0.00 0.00 178.15 178.18 2c1i h LYS 317 N 0.27 0.90 0.00 2.37 1.63 -1.26 -2.86 116.57 117.62 2c1i h LYS 317 Ca 0.20 -0.55 -0.01 0.00 -0.85 0.00 0.00 60.65 59.45 2c1i h LYS 317 Cb 0.22 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.91 2c1i h LYS 317 CO -0.23 1.19 -0.04 0.66 -3.45 0.00 0.00 179.45 177.58 2c1i h SER 318 N 0.70 0.00 -0.49 4.20 4.64 -0.47 -1.05 113.55 121.09 2c1i h SER 318 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2c1i h SER 318 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2c1i h SER 318 CO 0.12 0.04 0.00 -0.62 -0.87 0.00 0.00 176.83 175.49 2c1i n GLU 319 N -3.99 2.58 -0.31 4.77 1.02 -0.66 -4.92 120.64 119.12 2c1i n GLU 319 Ca -0.03 -1.94 0.00 0.00 -0.02 0.00 0.00 57.16 55.17 2c1i n GLU 319 Cb 0.12 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 2c1i n GLU 319 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2c1i n GLY 320 N 1.10 0.70 3.92 0.62 0.00 -0.40 -5.00 105.19 106.14 2c1i n GLY 320 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 2c1i n GLY 320 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2c1i s HIS 321 N -2.45 2.84 -0.10 1.61 3.76 -1.09 -4.82 115.29 115.03 2c1i s HIS 321 Ca 0.00 0.49 -0.02 0.00 -0.15 0.00 0.00 55.06 55.38 2c1i s HIS 321 Cb 0.00 -3.30 -0.03 0.00 1.11 0.00 0.00 32.58 30.35 2c1i s HIS 321 CO 0.00 -1.56 -0.02 0.08 -0.85 0.00 0.00 174.74 172.40 2c1i s VAL 322 N -3.35 4.15 -0.19 -0.90 1.01 -0.77 -4.51 120.40 115.84 2c1i s VAL 322 Ca 0.61 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 62.24 2c1i s VAL 322 Cb -0.10 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 2c1i s VAL 322 CO 0.46 0.57 0.00 -0.69 0.00 0.00 0.00 175.10 175.45 2c1i s VAL 323 N -0.55 4.08 0.51 2.92 1.01 -1.26 -0.58 120.40 126.52 2c1i s VAL 323 Ca 0.09 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2c1i s VAL 323 Cb -0.12 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 2c1i s VAL 323 CO 0.02 0.45 0.01 -0.83 0.00 0.00 0.00 175.10 174.75 2c1i s GLY 324 N 0.72 3.04 -0.21 4.51 0.00 0.87 -4.22 107.32 112.04 2c1i s GLY 324 Ca 0.00 -0.31 -0.08 0.00 0.00 0.00 0.00 44.72 44.33 2c1i s GLY 324 CO 0.02 -2.19 0.08 0.21 0.00 0.00 0.00 173.10 171.22 2c1i s ASN 325 N -3.88 5.54 -0.18 1.64 3.84 -0.34 -1.39 114.94 120.17 2c1i s ASN 325 Ca 0.05 -0.00 0.15 0.00 0.21 0.00 0.00 52.86 53.26 2c1i s ASN 325 Cb 0.01 -1.97 0.39 0.00 -0.55 0.00 0.00 41.25 39.13 2c1i s ASN 325 CO 0.03 0.10 1.25 1.57 -2.79 0.00 0.00 177.10 177.25 2c1i n HIS 326 N 4.05 0.28 0.00 0.43 -0.00 0.11 -0.69 115.22 119.39 2c1i n HIS 326 Ca -0.16 -1.22 0.00 0.00 -0.00 0.00 0.00 57.72 56.34 2c1i n HIS 326 Cb 0.52 -0.25 0.00 0.00 -0.00 0.00 0.00 29.99 30.26 2c1i n HIS 326 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2c1i n SER 327 N -1.17 0.00 -0.02 0.26 3.41 -1.26 -4.47 113.62 110.37 2c1i n SER 327 Ca 0.20 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.71 2c1i n SER 327 Cb 0.74 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.61 2c1i n SER 327 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 2c1i h TRP 328 N 0.00 -0.07 0.00 7.33 2.91 -1.86 -0.28 115.95 123.98 2c1i h TRP 328 Ca 0.00 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 2c1i h TRP 328 Cb 0.00 0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 28.66 2c1i h TRP 328 CO 0.00 0.49 -0.33 -1.13 -1.03 0.00 0.00 178.44 176.44 2c1i n SER 329 N -4.76 0.94 -2.21 2.65 3.41 -1.26 -0.74 113.62 111.65 2c1i n SER 329 Ca -0.07 -2.45 -0.15 0.00 -0.26 0.00 0.00 58.87 55.95 2c1i n SER 329 Cb 0.29 -0.30 0.03 0.00 -0.26 0.00 0.00 64.21 63.97 2c1i n SER 329 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2c1i n HIS 330 N -0.54 -1.49 -1.76 7.33 -0.00 -1.26 -5.03 115.22 112.47 2c1i n HIS 330 Ca 0.07 0.45 -0.29 0.00 0.46 0.00 0.00 57.72 58.41 2c1i n HIS 330 Cb 0.69 -3.40 0.13 0.00 -0.12 0.00 0.00 29.99 27.29 2c1i n HIS 330 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 2c1i s PRO 331 N -5.49 1.25 -0.68 1.57 0.04 -1.26 -4.97 135.00 125.47 2c1i s PRO 331 Ca 0.26 0.03 -0.27 0.00 0.04 0.00 0.00 61.00 61.07 2c1i s PRO 331 Cb -0.12 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.57 2c1i s PRO 331 CO 0.33 -2.08 1.36 0.42 0.04 0.00 0.00 177.00 177.07 2c1i s ILE 332 N -3.53 3.72 0.35 0.56 1.01 -1.26 -4.61 121.20 117.45 2c1i s ILE 332 Ca 0.66 0.49 0.06 0.00 0.00 0.00 0.00 60.65 61.85 2c1i s ILE 332 Cb -0.10 -4.70 0.17 0.00 0.01 0.00 0.00 42.46 37.83 2c1i s ILE 332 CO 0.52 -1.57 1.90 -0.07 0.00 0.00 0.00 174.94 175.71 2c1i h LEU 333 N 13.32 0.43 -0.22 2.97 3.38 -1.84 -1.65 115.31 131.70 2c1i h LEU 333 Ca -0.27 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2c1i h LEU 333 Cb 1.07 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2c1i h LEU 333 CO 1.24 0.51 0.00 -1.54 0.09 0.00 0.00 178.44 178.74 2c1i n SER 334 N -4.29 0.21 -1.14 -0.43 3.41 -1.26 -2.03 113.62 108.09 2c1i n SER 334 Ca 0.01 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 2c1i n SER 334 Cb 0.24 -0.60 0.22 0.00 -0.26 0.00 0.00 64.21 63.81 2c1i n SER 334 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c1i n GLN 335 N -1.73 2.50 -3.43 4.33 6.02 -0.62 -4.92 117.38 119.52 2c1i n GLN 335 Ca 0.03 -2.26 -0.21 0.00 -0.01 0.00 0.00 57.00 54.55 2c1i n GLN 335 Cb 0.19 -1.51 -0.00 0.00 1.02 0.00 0.00 30.24 29.93 2c1i n GLN 335 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2c1i s LEU 336 N -1.51 3.96 0.88 1.08 1.43 -0.86 -5.08 118.68 118.59 2c1i s LEU 336 Ca 0.38 0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.45 2c1i s LEU 336 Cb 0.23 -2.95 0.13 0.00 0.03 0.00 0.00 46.19 43.62 2c1i s LEU 336 CO 0.32 -0.42 1.13 -0.94 0.23 0.00 0.00 176.35 176.67 2c1i s SER 337 N -4.13 3.27 0.17 2.29 1.04 -1.26 -4.74 113.70 110.33 2c1i s SER 337 Ca 0.43 2.10 -0.14 0.00 0.48 0.00 0.00 55.95 58.82 2c1i s SER 337 Cb -0.10 -2.55 0.12 0.00 0.10 0.00 0.00 66.02 63.59 2c1i s SER 337 CO 0.33 -2.87 1.76 0.25 0.98 0.00 0.00 173.24 173.69 2c1i h LEU 338 N -1.71 0.21 -0.67 2.42 5.85 -1.97 0.37 115.31 119.82 2c1i h LEU 338 Ca -0.43 0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.19 2c1i h LEU 338 Cb 1.26 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 2c1i h LEU 338 CO 0.44 0.16 -0.58 0.44 -0.34 0.00 0.00 178.44 178.55 2c1i h ASP 339 N 0.36 0.30 -0.30 1.25 3.32 -1.99 -0.14 116.42 119.24 2c1i h ASP 339 Ca 0.21 -0.17 -0.15 0.00 0.02 0.00 0.00 57.03 56.94 2c1i h ASP 339 Cb 0.18 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2c1i h ASP 339 CO -0.19 0.82 -0.38 -0.33 -1.72 0.00 0.00 179.24 177.44 2c1i h GLU 340 N 0.20 0.84 -0.32 3.56 4.39 -1.82 -0.78 114.58 120.66 2c1i h GLU 340 Ca -0.00 -0.43 -0.06 0.00 0.34 0.00 0.00 59.36 59.21 2c1i h GLU 340 Cb 1.08 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 2c1i h GLU 340 CO 0.09 1.07 -0.03 0.00 -1.16 0.00 0.00 179.01 178.98 2c1i h ALA 341 N 0.88 0.43 -0.95 3.43 0.00 -0.77 -1.44 119.26 120.84 2c1i h ALA 341 Ca 0.06 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.77 2c1i h ALA 341 Cb 0.95 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 2c1i h ALA 341 CO 0.09 0.22 0.60 0.87 0.00 0.00 0.00 179.25 181.03 2c1i h LYS 342 N 0.37 1.06 -0.06 0.00 1.57 -0.96 -2.48 116.57 116.07 2c1i h LYS 342 Ca 0.09 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 2c1i h LYS 342 Cb 0.50 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2c1i h LYS 342 CO 0.02 0.70 -0.64 -0.22 -0.57 0.00 0.00 179.45 178.74 2c1i h LYS 343 N 1.10 0.25 -0.73 3.15 3.64 -0.94 0.14 116.57 123.18 2c1i h LYS 343 Ca 0.41 -0.18 0.11 0.00 -1.27 0.00 0.00 60.65 59.72 2c1i h LYS 343 Cb 0.17 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 31.95 2c1i h LYS 343 CO -0.17 0.81 0.34 1.96 -2.27 0.00 0.00 179.45 180.11 2c1i h GLN 344 N 0.18 0.54 -0.02 1.90 1.08 -0.82 0.17 115.11 118.13 2c1i h GLN 344 Ca -0.01 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 2c1i h GLN 344 Cb 1.17 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 2c1i h GLN 344 CO 0.10 0.35 -0.10 0.82 -0.95 0.00 0.00 178.83 179.06 2c1i h ILE 345 N 0.55 1.49 0.00 2.54 2.04 -1.08 -2.90 117.51 120.15 2c1i h ILE 345 Ca 0.37 -1.59 -0.12 0.00 1.00 0.00 0.00 64.86 64.52 2c1i h ILE 345 Cb 0.46 2.48 -0.02 0.00 -0.74 0.00 0.00 36.82 39.00 2c1i h ILE 345 CO -0.31 0.43 -0.58 0.71 0.00 0.00 0.00 178.15 178.39 2c1i h THR 346 N -0.49 1.36 -0.59 -0.27 1.35 -0.63 -0.36 112.91 113.28 2c1i h THR 346 Ca -0.01 -2.03 -0.02 0.00 -0.55 0.00 0.00 66.41 63.80 2c1i h THR 346 Cb 0.75 2.11 -0.03 0.00 -1.73 0.00 0.00 68.15 69.25 2c1i h THR 346 CO 0.02 0.57 0.28 0.44 -0.25 0.00 0.00 175.52 176.58 2c1i h ASP 347 N 0.00 0.74 -0.17 5.36 3.32 -0.77 0.14 116.42 125.03 2c1i h ASP 347 Ca -0.01 -0.07 -0.22 0.00 0.02 0.00 0.00 57.03 56.75 2c1i h ASP 347 Cb 1.07 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 40.43 2c1i h ASP 347 CO 0.08 0.63 -0.74 0.74 -1.72 0.00 0.00 179.24 178.23 2c1i h THR 348 N 0.82 1.28 -0.88 0.35 2.02 -1.33 -2.33 112.91 112.84 2c1i h THR 348 Ca 0.20 -1.93 0.08 0.00 0.77 0.00 0.00 66.41 65.53 2c1i h THR 348 Cb 0.09 1.92 -0.07 0.00 -1.74 0.00 0.00 68.15 68.35 2c1i h THR 348 CO -0.03 0.62 0.54 -0.33 0.37 0.00 0.00 175.52 176.69 2c1i h GLU 349 N 0.57 0.91 -0.32 6.66 4.39 -0.64 -1.24 114.58 124.91 2c1i h GLU 349 Ca -0.04 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 2c1i h GLU 349 Cb 1.37 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 2c1i h GLU 349 CO 0.15 0.60 0.14 -0.44 -1.16 0.00 0.00 179.01 178.31 2c1i h ASP 350 N 0.94 0.43 -0.10 1.42 3.32 -0.59 0.12 116.42 121.96 2c1i h ASP 350 Ca 0.40 -0.15 -0.15 0.00 0.02 0.00 0.00 57.03 57.15 2c1i h ASP 350 Cb 0.27 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2c1i h ASP 350 CO -0.21 0.46 -0.47 1.62 -1.72 0.00 0.00 179.24 178.93 2c1i h VAL 351 N 0.38 1.30 -0.53 -1.35 3.04 -1.16 -0.22 116.25 117.71 2c1i h VAL 351 Ca 0.11 -1.67 -0.09 0.00 -1.01 0.00 0.00 66.70 64.04 2c1i h VAL 351 Cb 0.15 1.61 -0.02 0.00 -2.01 0.00 0.00 31.29 31.03 2c1i h VAL 351 CO -0.01 0.53 -0.02 -0.07 -1.01 0.00 0.00 177.57 176.99 2c1i h LEU 352 N 0.52 0.94 -0.78 3.16 3.38 -1.07 -1.44 115.31 120.02 2c1i h LEU 352 Ca 0.03 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 2c1i h LEU 352 Cb 1.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2c1i h LEU 352 CO 0.09 1.03 -0.13 0.74 0.09 0.00 0.00 178.44 180.26 2c1i h THR 353 N 0.83 1.26 -0.41 0.22 2.02 -0.81 0.11 112.91 116.12 2c1i h THR 353 Ca 0.15 -1.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.12 2c1i h THR 353 Cb 0.56 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 2c1i h THR 353 CO 0.03 0.41 0.25 0.50 0.37 0.00 0.00 175.52 177.08 2c1i h LYS 354 N 0.70 0.55 0.11 6.66 3.64 -0.79 0.14 116.57 127.59 2c1i h LYS 354 Ca 0.11 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.26 2c1i h LYS 354 Cb 0.62 -0.12 0.02 0.00 -0.41 0.00 0.00 32.23 32.34 2c1i h LYS 354 CO 0.04 0.41 -0.77 0.28 -2.27 0.00 0.00 179.45 177.14 2c1i h VAL 355 N 0.54 1.49 0.00 2.00 2.07 -1.05 -3.38 116.25 117.92 2c1i h VAL 355 Ca 0.15 -2.43 -0.00 0.00 0.82 0.00 0.00 66.70 65.23 2c1i h VAL 355 Cb 0.00 3.06 -0.00 0.00 -1.52 0.00 0.00 31.29 32.83 2c1i h VAL 355 CO -0.03 0.69 -1.74 0.18 0.02 0.00 0.00 177.57 176.69 2c1i n LEU 356 N -4.14 0.22 0.00 2.57 4.77 0.35 -4.92 117.00 115.85 2c1i n LEU 356 Ca -0.13 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 2c1i n LEU 356 Cb 0.79 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 2c1i n LEU 356 CO 0.48 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 2c1i n GLY 357 N 1.24 1.37 3.47 -0.72 0.00 0.50 -4.98 105.19 106.07 2c1i n GLY 357 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 2c1i n GLY 357 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2c1i s SER 358 N -2.51 -0.34 0.04 1.61 0.15 -1.25 -4.97 113.70 106.43 2c1i s SER 358 Ca 0.00 -0.32 0.08 0.00 0.70 0.00 0.00 55.95 56.41 2c1i s SER 358 Cb 0.00 0.57 -0.03 0.00 -1.71 0.00 0.00 66.02 64.86 2c1i s SER 358 CO 0.00 -1.00 -0.23 -0.55 1.20 0.00 0.00 173.24 172.65 2c1i s SER 359 N -2.83 2.77 0.07 5.45 0.15 -1.26 -4.12 113.70 113.92 2c1i s SER 359 Ca 0.06 -0.54 0.26 0.00 0.70 0.00 0.00 55.95 56.42 2c1i s SER 359 Cb -0.01 -0.24 1.02 0.00 -1.71 0.00 0.00 66.02 65.08 2c1i s SER 359 CO -0.07 0.21 1.81 -1.54 1.20 0.00 0.00 173.24 174.84 2c1i n SER 360 N 1.85 0.24 -1.62 5.45 3.41 -1.26 -4.92 113.62 116.77 2c1i n SER 360 Ca -0.17 0.53 -0.16 0.00 -0.26 0.00 0.00 58.87 58.81 2c1i n SER 360 Cb 0.53 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 63.85 2c1i n SER 360 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2c1i n LYS 361 N -1.73 -1.24 -4.29 4.33 5.02 -1.26 -4.96 118.16 114.03 2c1i n LYS 361 Ca 0.06 0.91 -0.35 0.00 -2.02 0.00 0.00 58.31 56.91 2c1i n LYS 361 Cb 0.33 -5.23 -0.10 0.00 -0.02 0.00 0.00 35.03 30.01 2c1i n LYS 361 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2c1i s LEU 362 N -4.32 3.57 -0.05 -0.35 1.43 -1.26 -0.79 118.68 116.91 2c1i s LEU 362 Ca 0.00 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 2c1i s LEU 362 Cb 0.00 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.40 2c1i s LEU 362 CO 0.00 0.29 -0.03 -0.32 0.23 0.00 0.00 176.35 176.52 2c1i s MET 363 N -0.33 0.69 -0.28 1.70 1.75 0.01 -1.20 119.30 121.64 2c1i s MET 363 Ca 0.07 -0.03 -0.03 0.00 -1.25 0.00 0.00 55.69 54.45 2c1i s MET 363 Cb -0.12 -0.80 0.03 0.00 2.84 0.00 0.00 34.83 36.78 2c1i s MET 363 CO 0.02 -0.13 0.00 0.50 -0.65 0.00 0.00 175.02 174.76 2c1i s ARG 364 N 1.13 2.72 0.20 4.11 3.52 0.13 -0.60 118.95 130.16 2c1i s ARG 364 Ca -0.08 -1.07 -0.32 0.00 -0.13 0.00 0.00 55.73 54.13 2c1i s ARG 364 Cb -0.14 -3.17 -0.11 0.00 -1.56 0.00 0.00 34.95 29.97 2c1i s ARG 364 CO -0.01 -0.51 1.66 -2.14 -0.81 0.00 0.00 175.30 173.49 2c1i s PRO 365 N 1.34 4.16 0.17 5.12 0.02 -1.26 -4.39 135.00 140.15 2c1i s PRO 365 Ca -0.01 2.52 -0.33 0.00 0.02 0.00 0.00 61.00 63.19 2c1i s PRO 365 Cb -0.18 -3.10 -0.16 0.00 0.02 0.00 0.00 34.50 31.08 2c1i s PRO 365 CO -0.01 -0.69 1.18 -2.30 -0.33 0.00 0.00 177.00 174.84 2c1i n PRO 366 N 3.92 1.21 -0.83 5.54 -0.02 -1.26 -1.05 135.00 142.52 2c1i n PRO 366 Ca 0.15 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2c1i n PRO 366 Cb 0.36 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2c1i n PRO 366 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2c1i n TYR 367 N 1.55 0.00 -1.16 6.00 4.01 -1.26 -1.80 117.16 124.51 2c1i n TYR 367 Ca 0.15 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.83 2c1i n TYR 367 Cb 0.25 -1.01 -0.02 0.00 -0.31 0.00 0.00 39.34 38.24 2c1i n TYR 367 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2c1i n GLY 368 N -1.44 0.77 3.56 2.72 0.00 -0.21 -4.99 105.19 105.60 2c1i n GLY 368 Ca 0.00 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 2c1i n GLY 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c1i s ALA 369 N -2.06 3.51 0.17 4.61 0.00 -0.74 -4.97 121.76 122.27 2c1i s ALA 369 Ca 0.00 -1.14 -0.15 0.00 0.00 0.00 0.00 51.96 50.67 2c1i s ALA 369 Cb 0.00 -2.76 0.02 0.00 0.00 0.00 0.00 23.12 20.38 2c1i s ALA 369 CO 0.00 -0.94 0.43 -1.50 0.00 0.00 0.00 175.76 173.75 2c1i s ILE 370 N 1.99 0.05 0.30 0.00 1.10 -1.26 -4.00 121.20 119.37 2c1i s ILE 370 Ca 0.12 -0.84 0.09 0.00 -0.51 0.00 0.00 60.65 59.51 2c1i s ILE 370 Cb -0.16 -1.49 -0.06 0.00 0.15 0.00 0.00 42.46 40.89 2c1i s ILE 370 CO 0.11 -0.23 -0.12 0.42 -2.11 0.00 0.00 174.94 173.02 2c1i s THR 371 N -3.87 2.12 0.22 4.00 -4.23 -1.26 -4.84 115.64 107.78 2c1i s THR 371 Ca 0.09 -2.24 -0.09 0.00 -1.18 0.00 0.00 61.69 58.26 2c1i s THR 371 Cb 0.01 -2.45 0.17 0.00 1.34 0.00 0.00 72.50 71.57 2c1i s THR 371 CO -0.05 -0.31 1.88 0.44 -0.54 0.00 0.00 174.62 176.04 2c1i h ASP 372 N 2.20 0.90 -0.78 3.99 3.32 -2.00 -2.03 116.42 122.02 2c1i h ASP 372 Ca -0.41 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.58 2c1i h ASP 372 Cb 1.25 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 2c1i h ASP 372 CO 0.66 0.64 0.31 0.44 -1.72 0.00 0.00 179.24 179.57 2c1i h ASP 373 N 1.06 1.08 -0.17 6.45 3.32 -1.98 0.22 116.42 126.40 2c1i h ASP 373 Ca 0.30 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2c1i h ASP 373 Cb -0.10 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.16 2c1i h ASP 373 CO -0.07 0.96 0.04 0.40 -1.72 0.00 0.00 179.24 178.85 2c1i h ILE 374 N 1.14 1.21 -0.76 0.35 2.04 -1.88 -2.42 117.51 117.18 2c1i h ILE 374 Ca 0.26 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.48 2c1i h ILE 374 Cb 0.22 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 2c1i h ILE 374 CO -0.02 0.20 0.50 0.03 0.00 0.00 0.00 178.15 178.86 2c1i h ARG 375 N 0.08 0.99 0.00 2.37 3.08 -0.93 -2.21 114.38 117.75 2c1i h ARG 375 Ca 0.05 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2c1i h ARG 375 Cb 0.27 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2c1i h ARG 375 CO 0.00 0.65 0.00 0.09 -1.07 0.00 0.00 179.97 179.64 2c1i n ASN 376 N -4.56 0.34 0.00 7.04 3.02 0.03 -2.99 115.26 118.13 2c1i n ASN 376 Ca 0.07 0.56 0.13 0.00 -0.03 0.00 0.00 54.58 55.31 2c1i n ASN 376 Cb 0.02 -0.64 0.35 0.00 -0.61 0.00 0.00 39.78 38.90 2c1i n ASN 376 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2c1i n SER 377 N -1.84 0.37 -4.11 6.41 7.64 -0.83 -4.94 113.62 116.32 2c1i n SER 377 Ca 0.04 -0.03 -0.19 0.00 1.01 0.00 0.00 58.87 59.71 2c1i n SER 377 Cb 0.28 0.04 -0.13 0.00 -1.01 0.00 0.00 64.21 63.39 2c1i n SER 377 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2c1i s LEU 378 N -3.04 2.16 -1.33 -3.43 1.43 -1.16 -5.05 118.68 108.25 2c1i s LEU 378 Ca 0.12 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 52.71 2c1i s LEU 378 Cb 0.18 -0.50 0.13 0.00 0.03 0.00 0.00 46.19 46.02 2c1i s LEU 378 CO 0.65 0.01 2.10 -0.67 0.23 0.00 0.00 176.35 178.67 2c1i n ASP 379 N 2.00 5.83 -3.91 2.29 2.03 -1.26 -4.05 116.55 119.48 2c1i n ASP 379 Ca -0.18 -3.05 -0.09 0.00 0.52 0.00 0.00 54.79 51.98 2c1i n ASP 379 Cb 0.55 -1.48 -0.09 0.00 -0.72 0.00 0.00 41.12 39.38 2c1i n ASP 379 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2c1i s LEU 380 N -0.30 1.70 -0.11 -2.67 1.43 -1.26 -4.93 118.68 112.53 2c1i s LEU 380 Ca 0.45 -0.52 -0.05 0.00 -1.03 0.00 0.00 54.13 52.98 2c1i s LEU 380 Cb 0.13 0.70 -0.04 0.00 0.03 0.00 0.00 46.19 47.01 2c1i s LEU 380 CO -0.03 -0.54 0.09 -0.44 0.23 0.00 0.00 176.35 175.66 2c1i s SER 381 N -2.19 5.93 -0.33 2.29 0.01 0.03 -0.42 113.70 119.02 2c1i s SER 381 Ca -0.04 0.32 -0.11 0.00 1.31 0.00 0.00 55.95 57.44 2c1i s SER 381 Cb -0.00 -1.86 -0.01 0.00 0.21 0.00 0.00 66.02 64.36 2c1i s SER 381 CO -0.05 0.38 0.19 -0.36 0.41 0.00 0.00 173.24 173.81 2c1i s PHE 382 N -0.84 3.20 -0.36 2.43 0.40 -0.12 -0.81 117.98 121.88 2c1i s PHE 382 Ca 0.13 -0.45 -0.08 0.00 -0.60 0.00 0.00 56.93 55.93 2c1i s PHE 382 Cb -0.12 -2.41 0.04 0.00 0.51 0.00 0.00 43.02 41.04 2c1i s PHE 382 CO 0.03 -0.43 0.16 0.42 0.70 0.00 0.00 175.22 176.10 2c1i s ILE 383 N 1.65 4.11 0.00 0.64 -1.09 0.23 -1.02 121.20 125.73 2c1i s ILE 383 Ca 0.05 -1.06 0.00 0.00 -2.23 0.00 0.00 60.65 57.41 2c1i s ILE 383 Cb -0.17 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 2c1i s ILE 383 CO 0.08 -0.23 0.00 0.23 -1.23 0.00 0.00 174.94 173.79 2c1i n MET 384 N 4.89 3.36 -3.66 2.79 2.81 0.11 -4.36 117.12 123.06 2c1i n MET 384 Ca -0.12 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.69 2c1i n MET 384 Cb 0.45 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.94 2c1i n MET 384 CO 0.00 0.00 0.00 1.67 1.51 0.00 0.00 175.97 179.15 2c1i s TRP 385 N 3.20 -0.31 0.00 2.03 -2.14 -1.24 -4.83 118.94 115.66 2c1i s TRP 385 Ca 0.00 -0.00 0.00 0.00 2.66 0.00 0.00 56.10 58.76 2c1i s TRP 385 Cb 0.00 0.63 0.00 0.00 -3.10 0.00 0.00 33.47 31.00 2c1i s TRP 385 CO 0.00 -0.96 0.00 -0.40 -2.66 0.00 0.00 176.95 172.93 2c1i n ASP 386 N -0.41 0.87 -3.96 -2.66 5.75 -0.78 -4.79 116.55 110.57 2c1i n ASP 386 Ca -0.09 -0.36 -0.30 0.00 -0.01 0.00 0.00 54.79 54.03 2c1i n ASP 386 Cb 0.62 0.89 -0.16 0.00 -1.03 0.00 0.00 41.12 41.44 2c1i n ASP 386 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2c1i s VAL 387 N -1.07 1.58 -0.34 2.12 1.01 -0.83 -4.97 120.40 117.89 2c1i s VAL 387 Ca 0.00 -1.17 -0.19 0.00 0.00 0.00 0.00 61.98 60.62 2c1i s VAL 387 Cb 0.00 -1.78 -0.00 0.00 0.00 0.00 0.00 36.38 34.59 2c1i s VAL 387 CO 0.00 -0.02 0.54 -0.62 0.00 0.00 0.00 175.10 175.00 2c1i s ASP 388 N 1.39 6.35 0.42 3.32 -1.08 -1.26 -0.41 116.67 125.40 2c1i s ASP 388 Ca -0.05 0.05 0.29 0.00 -0.52 0.00 0.00 52.55 52.32 2c1i s ASP 388 Cb -0.18 -2.28 1.50 0.00 -1.46 0.00 0.00 42.92 40.49 2c1i s ASP 388 CO -0.07 -0.49 1.88 0.77 0.52 0.00 0.00 175.17 177.79 2c1i h SER 389 N 8.43 0.00 -1.20 -0.34 4.64 -1.74 -3.46 113.55 119.87 2c1i h SER 389 Ca -0.28 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.64 2c1i h SER 389 Cb 1.12 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.07 2c1i h SER 389 CO 0.78 0.00 -0.39 0.18 -0.87 0.00 0.00 176.83 176.53 2c1i n LEU 390 N -2.54 -1.51 -0.25 5.97 4.77 -1.26 -4.57 117.00 117.61 2c1i n LEU 390 Ca -0.01 0.42 0.07 0.00 -0.03 0.00 0.00 56.01 56.47 2c1i n LEU 390 Cb 0.09 -2.76 0.32 0.00 -2.33 0.00 0.00 43.42 38.74 2c1i n LEU 390 CO 0.15 -0.93 1.23 -2.24 -1.33 0.00 0.00 177.39 174.27 2c1i h ASP 391 N 0.00 0.74 0.37 -1.43 2.03 -1.88 0.92 116.42 117.16 2c1i h ASP 391 Ca -0.42 0.02 -0.04 0.00 -0.73 0.00 0.00 57.03 55.86 2c1i h ASP 391 Cb 1.30 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 39.66 2c1i h ASP 391 CO 0.59 0.45 -0.18 4.11 -1.03 0.00 0.00 179.24 183.18 2c1i h TRP 392 N 0.82 0.00 0.00 4.15 5.08 -1.94 -1.93 115.95 122.13 2c1i h TRP 392 Ca 0.38 0.00 -0.35 0.00 1.08 0.00 0.00 58.89 60.00 2c1i h TRP 392 Cb 0.40 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.50 2c1i h TRP 392 CO -0.00 0.18 -2.09 1.17 -1.28 0.00 0.00 178.44 176.42 2c1i n LYS 393 N -3.82 0.57 0.08 0.12 4.81 -0.05 -4.65 118.16 115.22 2c1i n LYS 393 Ca -0.02 0.30 -0.10 0.00 -0.87 0.00 0.00 58.31 57.62 2c1i n LYS 393 Cb 0.28 -1.52 -0.06 0.00 0.02 0.00 0.00 35.03 33.75 2c1i n LYS 393 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2c1i h SER 394 N -1.00 0.27 -6.51 3.14 4.64 -0.99 -3.47 113.55 109.62 2c1i h SER 394 Ca -0.53 -0.24 -0.51 0.00 -0.47 0.00 0.00 61.79 60.04 2c1i h SER 394 Cb 1.45 -0.08 -0.11 0.00 -0.31 0.00 0.00 62.40 63.34 2c1i h SER 394 CO -0.32 1.10 -0.80 0.29 -0.87 0.00 0.00 176.83 176.23 2c1i n LYS 395 N -3.58 -4.37 -3.70 4.77 5.02 -0.72 -4.93 118.16 110.64 2c1i n LYS 395 Ca -0.04 0.49 -0.14 0.00 -2.02 0.00 0.00 58.31 56.59 2c1i n LYS 395 Cb 0.88 -5.27 -0.14 0.00 -0.02 0.00 0.00 35.03 30.47 2c1i n LYS 395 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2c1i s ASN 396 N -3.36 0.22 0.17 4.39 3.84 -1.26 -4.84 114.94 114.09 2c1i s ASN 396 Ca 0.66 0.41 -0.12 0.00 0.21 0.00 0.00 52.86 54.03 2c1i s ASN 396 Cb -0.35 0.36 0.08 0.00 -0.55 0.00 0.00 41.25 40.79 2c1i s ASN 396 CO 0.88 -0.20 1.74 -0.33 -2.79 0.00 0.00 177.10 176.39 2c1i h GLU 397 N 7.79 0.88 -0.44 0.43 3.07 -1.92 -1.22 114.58 123.18 2c1i h GLU 397 Ca -0.28 -0.15 -0.08 0.00 -0.50 0.00 0.00 59.36 58.36 2c1i h GLU 397 Cb 1.13 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.87 2c1i h GLU 397 CO 0.27 0.74 -0.04 0.00 -1.40 0.00 0.00 179.01 178.58 2c1i h ALA 398 N 1.09 1.11 -0.44 3.43 0.00 -1.96 -2.10 119.26 120.39 2c1i h ALA 398 Ca 0.20 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 2c1i h ALA 398 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2c1i h ALA 398 CO -0.02 0.56 -0.20 0.77 0.00 0.00 0.00 179.25 180.36 2c1i h SER 399 N 0.68 0.95 -0.35 0.00 0.02 -1.86 -1.18 113.55 111.81 2c1i h SER 399 Ca 0.13 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2c1i h SER 399 Cb 0.48 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2c1i h SER 399 CO 0.02 1.14 0.23 0.40 -1.14 0.00 0.00 176.83 177.48 2c1i h ILE 400 N 0.76 1.10 -0.46 3.27 2.04 -1.06 -0.46 117.51 122.69 2c1i h ILE 400 Ca 0.10 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.78 2c1i h ILE 400 Cb 0.77 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 2c1i h ILE 400 CO 0.06 0.09 0.29 0.25 0.00 0.00 0.00 178.15 178.85 2c1i h LEU 401 N 0.47 0.50 -0.83 1.44 5.85 -1.22 -1.87 115.31 119.64 2c1i h LEU 401 Ca 0.13 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2c1i h LEU 401 Cb -0.04 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 2c1i h LEU 401 CO -0.03 0.36 0.49 0.74 -0.34 0.00 0.00 178.44 179.66 2c1i h THR 402 N 0.60 1.24 -0.61 1.05 2.02 -0.83 0.82 112.91 117.19 2c1i h THR 402 Ca 0.17 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 2c1i h THR 402 Cb -0.04 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.43 2c1i h THR 402 CO -0.05 0.25 0.34 -0.33 0.37 0.00 0.00 175.52 176.10 2c1i h GLU 403 N 1.14 0.85 -0.41 6.66 4.39 -0.83 -0.21 114.58 126.18 2c1i h GLU 403 Ca 0.30 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 2c1i h GLU 403 Cb -0.02 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 2c1i h GLU 403 CO -0.05 0.65 0.20 0.82 -1.16 0.00 0.00 179.01 179.47 2c1i h ILE 404 N 0.83 1.17 -0.88 3.13 5.03 -0.73 -0.30 117.51 125.76 2c1i h ILE 404 Ca 0.22 -0.48 0.00 0.00 -0.12 0.00 0.00 64.86 64.47 2c1i h ILE 404 Cb 0.04 0.73 -0.04 0.00 -3.03 0.00 0.00 36.82 34.52 2c1i h ILE 404 CO -0.03 0.19 0.56 1.56 -0.68 0.00 0.00 178.15 179.74 2c1i h GLN 405 N 0.53 1.18 0.00 2.37 4.20 -0.40 -1.66 115.11 121.33 2c1i h GLN 405 Ca 0.14 -0.09 -0.17 0.00 0.06 0.00 0.00 58.65 58.60 2c1i h GLN 405 Cb 0.11 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 2c1i h GLN 405 CO -0.02 0.80 -1.07 0.45 -0.67 0.00 0.00 178.83 178.32 2c1i h HIS 406 N 1.21 0.00 0.00 2.96 3.86 -0.87 -3.40 115.15 118.91 2c1i h HIS 406 Ca 0.32 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.23 2c1i h HIS 406 Cb -0.10 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.32 2c1i h HIS 406 CO 0.00 0.67 -2.14 1.04 0.86 0.00 0.00 177.93 178.36 2c1i n GLN 407 N -3.10 1.06 -1.76 2.45 1.13 -0.14 -5.00 117.38 112.03 2c1i n GLN 407 Ca -0.05 0.04 -0.41 0.00 -1.94 0.00 0.00 57.00 54.64 2c1i n GLN 407 Cb 0.85 -1.42 0.00 0.00 0.11 0.00 0.00 30.24 29.78 2c1i n GLN 407 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2c1i n VAL 408 N -2.78 2.12 -4.31 5.09 0.31 -0.64 -4.97 118.33 113.16 2c1i n VAL 408 Ca -0.30 -0.50 -0.17 0.00 -0.01 0.00 0.00 64.34 63.36 2c1i n VAL 408 Cb 0.99 -1.89 -0.10 0.00 -0.91 0.00 0.00 33.84 31.93 2c1i n VAL 408 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2c1i s ALA 409 N -1.13 1.78 0.14 3.52 0.00 -1.26 -5.01 121.76 119.79 2c1i s ALA 409 Ca 0.55 -1.79 -0.34 0.00 0.00 0.00 0.00 51.96 50.38 2c1i s ALA 409 Cb -0.49 1.18 -0.14 0.00 0.00 0.00 0.00 23.12 23.68 2c1i s ALA 409 CO 0.63 -0.51 1.62 0.09 0.00 0.00 0.00 175.76 177.58 2c1i n ASN 410 N -0.74 3.16 0.00 0.00 3.02 -1.26 -1.78 115.26 117.66 2c1i n ASN 410 Ca 0.01 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.63 2c1i n ASN 410 Cb 0.65 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.40 2c1i n ASN 410 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c1i n GLY 411 N 3.54 0.72 3.76 7.41 0.00 0.43 -4.89 105.19 116.15 2c1i n GLY 411 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2c1i n GLY 411 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c1i s SER 412 N -2.41 5.23 -0.26 1.61 0.01 -0.73 -0.85 113.70 116.29 2c1i s SER 412 Ca 0.00 2.36 -0.03 0.00 1.31 0.00 0.00 55.95 59.59 2c1i s SER 412 Cb 0.00 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.65 2c1i s SER 412 CO 0.00 -1.57 -0.03 -0.63 0.41 0.00 0.00 173.24 171.42 2c1i s ILE 413 N -1.63 3.16 -0.20 1.44 1.01 -1.26 -1.05 121.20 122.67 2c1i s ILE 413 Ca 0.77 -0.90 -0.13 0.00 0.00 0.00 0.00 60.65 60.38 2c1i s ILE 413 Cb -0.29 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.54 2c1i s ILE 413 CO 0.33 0.20 0.28 -0.69 0.00 0.00 0.00 174.94 175.05 2c1i s VAL 414 N 1.38 5.30 -0.22 2.92 1.01 -0.09 -1.97 120.40 128.72 2c1i s VAL 414 Ca 0.01 0.47 -0.18 0.00 0.00 0.00 0.00 61.98 62.28 2c1i s VAL 414 Cb -0.16 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2c1i s VAL 414 CO -0.03 0.34 0.49 -0.22 0.00 0.00 0.00 175.10 175.68 2c1i s LEU 415 N 0.86 4.12 0.29 3.92 2.96 0.45 -1.14 118.68 130.15 2c1i s LEU 415 Ca 0.14 0.60 0.02 0.00 -0.22 0.00 0.00 54.13 54.67 2c1i s LEU 415 Cb -0.13 -2.65 -0.05 0.00 0.50 0.00 0.00 46.19 43.85 2c1i s LEU 415 CO 0.05 -0.18 0.10 -0.04 -1.32 0.00 0.00 176.35 174.95 2c1i s MET 416 N 1.74 1.54 -0.17 1.98 -1.94 -0.32 -1.82 119.30 120.31 2c1i s MET 416 Ca 0.22 -1.86 -0.00 0.00 -1.71 0.00 0.00 55.69 52.34 2c1i s MET 416 Cb -0.15 -0.41 0.04 0.00 2.01 0.00 0.00 34.83 36.32 2c1i s MET 416 CO 0.09 -0.31 -0.05 -1.01 -0.01 0.00 0.00 175.02 173.73 2c1i s HIS 417 N -3.58 1.75 -0.31 -0.03 0.09 -1.26 -0.75 115.29 111.20 2c1i s HIS 417 Ca 0.36 -1.14 -0.02 0.00 -0.00 0.00 0.00 55.06 54.25 2c1i s HIS 417 Cb 0.07 -1.34 0.09 0.00 -0.00 0.00 0.00 32.58 31.41 2c1i s HIS 417 CO 0.15 -0.63 2.45 -0.40 -0.00 0.00 0.00 174.74 176.31 2c1i n ASP 418 N 4.86 6.26 0.00 1.40 5.75 -1.18 -4.07 116.55 129.57 2c1i n ASP 418 Ca -0.12 -3.01 0.00 0.00 -0.01 0.00 0.00 54.79 51.65 2c1i n ASP 418 Cb 0.47 -1.16 0.00 0.00 -1.03 0.00 0.00 41.12 39.40 2c1i n ASP 418 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 2c1i n ILE 419 N 0.84 0.00 -4.22 2.12 -0.00 -1.26 -4.02 119.36 112.82 2c1i n ILE 419 Ca 0.36 -0.41 -0.13 0.00 -0.00 0.00 0.00 62.75 62.57 2c1i n ILE 419 Cb 0.60 1.04 -0.10 0.00 -0.00 0.00 0.00 39.64 41.18 2c1i n ILE 419 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 2c1i s HIS 420 N -0.62 1.14 0.25 4.28 3.76 -1.26 -4.90 115.29 117.94 2c1i s HIS 420 Ca 0.00 -0.88 -0.01 0.00 -0.15 0.00 0.00 55.06 54.02 2c1i s HIS 420 Cb 0.00 -0.62 0.30 0.00 1.11 0.00 0.00 32.58 33.37 2c1i s HIS 420 CO 0.00 -0.07 1.69 0.66 -0.85 0.00 0.00 174.74 176.17 2c1i h SER 421 N 2.81 0.65 -0.96 1.40 4.64 -1.97 -2.90 113.55 117.22 2c1i h SER 421 Ca -0.36 -0.22 0.14 0.00 -0.47 0.00 0.00 61.79 60.88 2c1i h SER 421 Cb 1.19 -0.18 -0.09 0.00 -0.31 0.00 0.00 62.40 63.01 2c1i h SER 421 CO 0.64 0.85 0.58 -0.65 -0.87 0.00 0.00 176.83 177.38 2c1i h PRO 422 N 0.57 0.83 -0.30 4.77 0.11 -1.96 0.15 132.00 136.17 2c1i h PRO 422 Ca 0.09 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.08 2c1i h PRO 422 Cb 0.67 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 2c1i h PRO 422 CO 0.05 0.55 -0.05 1.15 -0.21 0.00 0.00 178.00 179.49 2c1i h THR 423 N 0.86 1.28 -0.31 -1.15 2.02 -1.82 -0.56 112.91 113.21 2c1i h THR 423 Ca 0.51 -1.07 0.04 0.00 0.77 0.00 0.00 66.41 66.66 2c1i h THR 423 Cb 0.62 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 68.35 2c1i h THR 423 CO -0.31 0.34 0.08 0.58 0.37 0.00 0.00 175.52 176.58 2c1i h VAL 424 N 0.34 0.88 -0.08 3.16 2.07 -1.38 -1.99 116.25 119.25 2c1i h VAL 424 Ca 0.08 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.42 2c1i h VAL 424 Cb 0.53 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2c1i h VAL 424 CO 0.03 0.04 -0.45 0.78 0.02 0.00 0.00 177.57 177.98 2c1i h ASN 425 N 0.20 0.19 1.83 0.57 2.35 -0.58 -2.93 115.58 117.23 2c1i h ASN 425 Ca 0.14 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 2c1i h ASN 425 Cb 0.14 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 2c1i h ASN 425 CO -0.17 0.62 -0.07 0.00 -1.65 0.00 0.00 177.43 176.17 2c1i h ALA 426 N 1.38 0.96 -0.54 -0.83 0.00 -0.79 -3.39 119.26 116.06 2c1i h ALA 426 Ca 0.01 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2c1i h ALA 426 Cb 0.86 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2c1i h ALA 426 CO 0.07 0.09 0.30 1.25 0.00 0.00 0.00 179.25 180.95 2c1i h LEU 427 N 0.00 0.46 -0.56 0.00 5.85 -1.17 -1.91 115.31 117.97 2c1i h LEU 427 Ca -0.00 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.79 2c1i h LEU 427 Cb 1.00 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 2c1i h LEU 427 CO 0.01 0.32 0.28 -0.65 -0.34 0.00 0.00 178.44 178.06 2c1i h PRO 428 N 0.59 0.52 -0.52 5.25 0.11 -1.78 -0.02 132.00 136.15 2c1i h PRO 428 Ca 0.23 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.24 2c1i h PRO 428 Cb 0.09 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 2c1i h PRO 428 CO -0.13 0.34 0.05 0.07 -0.21 0.00 0.00 178.00 178.11 2c1i h ARG 429 N 0.53 0.84 -0.24 1.05 0.11 -1.74 -0.28 114.38 114.65 2c1i h ARG 429 Ca 0.26 -0.21 -0.01 0.00 0.10 0.00 0.00 59.98 60.11 2c1i h ARG 429 Cb 0.18 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.15 2c1i h ARG 429 CO -0.19 0.81 0.11 0.28 0.10 0.00 0.00 179.97 181.08 2c1i h VAL 430 N 0.79 1.16 -0.15 0.08 2.07 -0.87 -1.01 116.25 118.32 2c1i h VAL 430 Ca 0.16 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 2c1i h VAL 430 Cb 0.41 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2c1i h VAL 430 CO 0.01 0.16 0.03 0.40 0.02 0.00 0.00 177.57 178.19 2c1i h ILE 431 N 0.24 1.20 -0.62 4.57 2.04 -0.78 -1.92 117.51 122.25 2c1i h ILE 431 Ca 0.08 -0.65 0.06 0.00 1.00 0.00 0.00 64.86 65.35 2c1i h ILE 431 Cb 0.15 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 2c1i h ILE 431 CO -0.01 0.19 0.33 -0.33 0.00 0.00 0.00 178.15 178.34 2c1i h GLU 432 N 0.05 0.59 -0.02 2.37 5.08 -1.03 -0.08 114.58 121.55 2c1i h GLU 432 Ca 0.05 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2c1i h GLU 432 Cb 0.27 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2c1i h GLU 432 CO 0.00 0.39 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.42 2c1i h TYR 433 N 0.61 -0.15 -0.48 4.33 3.20 -1.01 -0.29 116.97 123.18 2c1i h TYR 433 Ca 0.28 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 62.04 2c1i h TYR 433 Cb 0.19 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 2c1i h TYR 433 CO -0.09 -0.10 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.10 2c1i h LEU 434 N -0.10 0.94 -0.92 2.82 3.38 -1.05 -1.82 115.31 118.57 2c1i h LEU 434 Ca 0.03 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 2c1i h LEU 434 Cb 0.14 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2c1i h LEU 434 CO -0.08 1.09 0.23 0.11 0.09 0.00 0.00 178.44 179.89 2c1i h LYS 435 N 0.82 1.03 0.00 1.13 1.57 -0.92 -1.56 116.57 118.64 2c1i h LYS 435 Ca 0.12 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2c1i h LYS 435 Cb 0.71 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 2c1i h LYS 435 CO 0.05 0.86 -0.03 -0.91 -0.57 0.00 0.00 179.45 178.85 2c1i h ASN 436 N 1.00 0.00 -0.10 0.86 2.35 -0.43 0.13 115.58 119.39 2c1i h ASN 436 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2c1i h ASN 436 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2c1i h ASN 436 CO -0.01 0.03 0.00 0.00 -1.65 0.00 0.00 177.43 175.80 2c1i n GLN 437 N -3.23 1.72 -0.49 0.81 1.13 -0.74 -4.95 117.38 111.62 2c1i n GLN 437 Ca -0.01 -1.06 0.00 0.00 -1.94 0.00 0.00 57.00 53.99 2c1i n GLN 437 Cb 0.21 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.12 2c1i n GLN 437 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2c1i n GLY 438 N 1.16 0.73 3.79 1.08 0.00 0.03 -5.06 105.19 106.92 2c1i n GLY 438 Ca 0.18 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 2c1i n GLY 438 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2c1i s TYR 439 N -2.00 3.24 -0.17 1.61 2.02 -0.63 -4.81 117.35 116.61 2c1i s TYR 439 Ca 0.00 1.64 -0.09 0.00 -0.37 0.00 0.00 57.07 58.24 2c1i s TYR 439 Cb 0.00 -3.10 -0.05 0.00 -0.40 0.00 0.00 41.96 38.42 2c1i s TYR 439 CO 0.00 -0.61 0.14 0.99 -1.57 0.00 0.00 175.55 174.50 2c1i s THR 440 N -1.73 5.43 0.05 -0.71 2.01 0.35 -4.51 115.64 116.53 2c1i s THR 440 Ca 0.59 0.22 -0.22 0.00 0.31 0.00 0.00 61.69 62.58 2c1i s THR 440 Cb -0.20 -3.46 -0.06 0.00 0.01 0.00 0.00 72.50 68.79 2c1i s THR 440 CO 0.25 0.49 0.67 -0.36 -0.69 0.00 0.00 174.62 174.99 2c1i s PHE 441 N -0.05 3.75 0.13 4.92 0.40 -1.26 -1.26 117.98 124.61 2c1i s PHE 441 Ca 0.11 1.37 0.04 0.00 -0.60 0.00 0.00 56.93 57.85 2c1i s PHE 441 Cb -0.11 -2.68 -0.04 0.00 0.51 0.00 0.00 43.02 40.69 2c1i s PHE 441 CO 0.00 0.39 -0.11 0.14 0.70 0.00 0.00 175.22 176.34 2c1i s VAL 442 N -0.43 1.13 0.77 -0.44 -7.23 -0.16 -4.72 120.40 109.32 2c1i s VAL 442 Ca 0.34 -1.90 -0.11 0.00 -1.81 0.00 0.00 61.98 58.49 2c1i s VAL 442 Cb -0.20 -1.67 0.06 0.00 0.56 0.00 0.00 36.38 35.13 2c1i s VAL 442 CO 0.21 -0.65 1.14 0.42 -0.31 0.00 0.00 175.10 175.91 2c1i s THR 443 N -2.92 2.50 0.14 5.32 -4.23 -1.26 -4.24 115.64 110.95 2c1i s THR 443 Ca 0.13 0.13 -0.16 0.00 -1.18 0.00 0.00 61.69 60.61 2c1i s THR 443 Cb 0.00 -3.15 0.01 0.00 1.34 0.00 0.00 72.50 70.70 2c1i s THR 443 CO 0.01 -0.20 1.75 0.40 -0.54 0.00 0.00 174.62 176.03 2c1i h ILE 444 N -0.89 1.16 -0.88 2.99 1.08 -1.92 -0.47 117.51 118.58 2c1i h ILE 444 Ca -0.46 -0.41 -0.01 0.00 -0.39 0.00 0.00 64.86 63.59 2c1i h ILE 444 Cb 1.30 0.67 -0.04 0.00 -3.07 0.00 0.00 36.82 35.68 2c1i h ILE 444 CO 0.65 0.17 0.52 -0.65 -0.69 0.00 0.00 178.15 178.14 2c1i h PRO 445 N 0.54 1.20 -0.79 2.37 0.11 -1.98 -0.69 132.00 132.77 2c1i h PRO 445 Ca 0.15 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 2c1i h PRO 445 Cb 0.06 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 30.89 2c1i h PRO 445 CO -0.02 0.85 0.44 0.93 -0.21 0.00 0.00 178.00 179.99 2c1i h GLU 446 N 1.22 1.09 -0.32 1.05 5.08 -1.82 0.26 114.58 121.14 2c1i h GLU 446 Ca 0.32 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.46 2c1i h GLU 446 Cb -0.03 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 2c1i h GLU 446 CO -0.06 0.80 -0.20 1.98 -1.00 0.00 0.00 179.01 180.53 2c1i h MET 447 N 1.10 0.70 0.00 2.33 4.05 -0.39 -3.37 114.93 119.34 2c1i h MET 447 Ca 0.28 -0.32 -0.36 0.00 -0.28 0.00 0.00 59.70 59.01 2c1i h MET 447 Cb 0.02 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 30.74 2c1i h MET 447 CO -0.05 0.93 -2.38 1.28 0.23 0.00 0.00 176.91 176.92 2c1i n LEU 448 N -4.32 2.55 0.00 3.39 4.77 -0.33 -4.91 117.00 118.15 2c1i n LEU 448 Ca -0.03 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2c1i n LEU 448 Cb 0.42 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2c1i n LEU 448 CO 0.43 0.85 0.00 -0.46 -1.33 0.00 0.00 177.39 176.88 2c1i n ASN 449 N -3.14 0.00 -0.30 -1.43 0.23 0.89 -0.46 115.26 111.05 2c1i n ASN 449 Ca -0.41 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 53.66 2c1i n ASN 449 Cb 0.98 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.91 2c1i n ASN 449 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2c1i h THR 450 N 0.00 1.10 0.00 5.53 1.03 -1.91 -2.76 112.91 115.91 2c1i h THR 450 Ca 0.00 -0.36 -0.01 0.00 -0.01 0.00 0.00 66.41 66.03 2c1i h THR 450 Cb 0.00 -0.05 -0.00 0.00 -1.07 0.00 0.00 68.15 67.03 2c1i h THR 450 CO 0.00 0.19 -0.05 0.03 -0.01 0.00 0.00 175.52 175.68 2c1i h ARG 451 N 1.06 0.00 -6.40 0.00 3.08 -1.15 -3.45 114.38 107.53 2c1i h ARG 451 Ca 0.37 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.88 2c1i h ARG 451 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 2c1i h ARG 451 CO -0.13 0.05 0.76 -0.51 -1.07 0.00 0.00 179.97 179.07 2c1i s LEU 452 N -6.39 4.32 0.02 3.04 1.43 -1.04 -4.99 118.68 115.06 2c1i s LEU 452 Ca -0.00 2.06 -0.03 0.00 -1.03 0.00 0.00 54.13 55.13 2c1i s LEU 452 Cb 0.10 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.74 2c1i s LEU 452 CO 0.55 -0.65 0.04 -0.54 0.23 0.00 0.00 176.35 175.98 2c1i s LYS 453 N 2.03 0.40 0.31 1.70 -0.14 -1.26 -5.04 119.74 117.73 2c1i s LYS 453 Ca 0.62 -0.56 -0.28 0.00 -1.36 0.00 0.00 55.97 54.38 2c1i s LYS 453 Cb -0.30 0.15 -0.13 0.00 -1.68 0.00 0.00 37.83 35.87 2c1i s LYS 453 CO 0.26 -0.08 1.18 0.00 -0.76 0.00 0.00 175.35 175.96 2c1i n ALA 454 N 1.46 0.64 0.00 5.17 0.00 -1.26 -3.13 120.51 123.38 2c1i n ALA 454 Ca -0.23 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2c1i n ALA 454 Cb 0.56 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.85 2c1i n ALA 454 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2c1i n HIS 455 N 0.42 0.00 -2.33 0.00 8.25 0.44 -4.93 115.22 117.07 2c1i n HIS 455 Ca 0.07 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.22 2c1i n HIS 455 Cb 0.34 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.43 2c1i n HIS 455 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2c1i s GLU 456 N -0.18 3.75 -0.06 -0.41 0.41 -1.18 -4.66 118.70 116.36 2c1i s GLU 456 Ca 0.00 0.70 -0.03 0.00 -0.41 0.00 0.00 54.97 55.23 2c1i s GLU 456 Cb 0.00 -2.19 -0.04 0.00 -1.78 0.00 0.00 34.13 30.12 2c1i s GLU 456 CO 0.00 -0.32 0.09 -0.51 -0.49 0.00 0.00 175.26 174.03 2c1i s LEU 457 N -4.49 4.02 -0.04 1.80 1.43 -1.26 -0.95 118.68 119.19 2c1i s LEU 457 Ca 0.55 0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.93 2c1i s LEU 457 Cb -0.10 -2.14 0.02 0.00 0.03 0.00 0.00 46.19 44.00 2c1i s LEU 457 CO 0.41 0.34 -0.05 -0.31 0.23 0.00 0.00 176.35 176.96 2c1i s TYR 458 N -1.08 0.80 -0.06 0.29 1.51 -0.19 -4.97 117.35 113.65 2c1i s TYR 458 Ca 0.19 -0.23 0.12 0.00 -1.01 0.00 0.00 57.07 56.14 2c1i s TYR 458 Cb -0.12 -0.68 -0.17 0.00 -0.11 0.00 0.00 41.96 40.88 2c1i s TYR 458 CO 0.09 -0.19 0.17 0.66 -1.11 0.00 0.00 175.55 175.17 2c1i n TYR 459 N 3.95 0.00 -3.44 2.71 4.02 0.10 0.09 117.16 124.59 2c1i n TYR 459 Ca -0.25 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.59 2c1i n TYR 459 Cb 0.51 -0.42 0.01 0.00 -0.02 0.00 0.00 39.34 39.42 2c1i n TYR 459 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2c1i n SER 460 N -2.17 -1.07 -0.15 7.72 3.41 -1.10 -1.87 113.62 118.39 2c1i n SER 460 Ca -0.10 -1.80 0.08 0.00 -0.26 0.00 0.00 58.87 56.79 2c1i n SER 460 Cb 0.58 1.81 0.40 0.00 -0.26 0.00 0.00 64.21 66.74 2c1i n SER 460 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2c1i h ARG 461 N 0.00 0.62 0.00 4.33 2.43 -1.32 -3.27 114.38 117.16 2c1i h ARG 461 Ca -0.16 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.95 2c1i h ARG 461 Cb 0.60 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2c1i h ARG 461 CO 0.21 0.41 -1.51 -0.25 -1.51 0.00 0.00 179.97 177.31 2c1i n ASP 462 N -4.48 2.52 -0.34 -3.80 8.00 -1.26 -4.92 116.55 112.27 2c1i n ASP 462 Ca 0.10 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.64 2c1i n ASP 462 Cb 0.27 1.42 0.04 0.00 -0.02 0.00 0.00 41.12 42.83 2c1i n ASP 462 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19