#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f3r s GLN 3 N 0.00 2.52 0.78 0.00 2.00 -1.26 -3.08 119.66 120.62 2f3r s GLN 3 Ca 0.00 -0.76 -0.12 0.00 -2.00 0.00 0.00 55.36 52.48 2f3r s GLN 3 Cb 0.00 -2.00 0.06 0.00 0.80 0.00 0.00 33.01 31.87 2f3r s GLN 3 CO 0.00 0.21 1.11 0.20 -0.50 0.00 0.00 175.29 176.31 2f3r s GLY 4 N 0.24 1.61 0.08 2.59 0.00 -0.15 -4.83 107.32 106.86 2f3r s GLY 4 Ca -0.13 -0.36 -0.15 0.00 0.00 0.00 0.00 44.72 44.08 2f3r s GLY 4 CO 0.06 0.07 0.49 -1.59 0.00 0.00 0.00 173.10 172.13 2f3r s THR 5 N -3.31 4.91 -0.23 0.90 2.01 -1.26 -4.87 115.64 113.79 2f3r s THR 5 Ca 0.60 0.87 -0.15 0.00 0.31 0.00 0.00 61.69 63.32 2f3r s THR 5 Cb -0.13 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 2f3r s THR 5 CO 0.52 0.43 0.38 -0.22 -0.69 0.00 0.00 174.62 175.04 2f3r s LEU 6 N -1.48 4.11 -0.08 4.42 2.96 -1.26 -2.47 118.68 124.87 2f3r s LEU 6 Ca 0.31 0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 54.62 2f3r s LEU 6 Cb -0.16 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.02 2f3r s LEU 6 CO 0.17 -0.12 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.76 2f3r s TYR 7 N 1.61 3.10 -0.14 5.38 1.51 -0.41 0.12 117.35 128.52 2f3r s TYR 7 Ca 0.17 0.14 -0.00 0.00 -1.01 0.00 0.00 57.07 56.37 2f3r s TYR 7 Cb -0.15 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 39.92 2f3r s TYR 7 CO 0.08 0.42 -0.13 0.42 -1.11 0.00 0.00 175.55 175.23 2f3r s ILE 8 N -0.83 2.97 -0.12 2.71 1.01 0.17 -0.26 121.20 126.86 2f3r s ILE 8 Ca 0.13 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.11 2f3r s ILE 8 Cb -0.11 -2.25 0.02 0.00 0.01 0.00 0.00 42.46 40.12 2f3r s ILE 8 CO 0.02 0.52 -0.14 -0.69 0.00 0.00 0.00 174.94 174.64 2f3r s VAL 9 N 0.51 1.47 0.10 2.92 1.01 -0.53 0.13 120.40 126.02 2f3r s VAL 9 Ca -0.09 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.33 2f3r s VAL 9 Cb -0.16 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 2f3r s VAL 9 CO 0.04 0.44 -0.11 -0.44 0.00 0.00 0.00 175.10 175.03 2f3r s SER 10 N 1.18 1.55 -0.25 3.32 0.01 -0.41 -2.22 113.70 116.89 2f3r s SER 10 Ca -0.03 -0.80 -0.34 0.00 1.31 0.00 0.00 55.95 56.09 2f3r s SER 10 Cb -0.14 -0.01 0.16 0.00 0.21 0.00 0.00 66.02 66.24 2f3r s SER 10 CO -0.05 -0.24 1.29 0.00 0.41 0.00 0.00 173.24 174.66 2f3r s ALA 11 N -2.35 -2.11 0.51 1.44 0.00 -1.26 -1.35 121.76 116.64 2f3r s ALA 11 Ca 0.06 1.79 -0.19 0.00 0.00 0.00 0.00 51.96 53.61 2f3r s ALA 11 Cb -0.03 -0.74 -0.07 0.00 0.00 0.00 0.00 23.12 22.27 2f3r s ALA 11 CO 0.01 -0.43 1.04 -1.25 0.00 0.00 0.00 175.76 175.13 2f3r s PRO 12 N -1.72 3.68 0.35 0.00 0.04 -1.26 -4.94 135.00 131.15 2f3r s PRO 12 Ca 0.09 1.33 -0.28 0.00 0.04 0.00 0.00 61.00 62.18 2f3r s PRO 12 Cb -0.01 -2.08 -0.12 0.00 0.04 0.00 0.00 34.50 32.33 2f3r s PRO 12 CO -0.05 -0.53 1.35 0.45 0.04 0.00 0.00 177.00 178.26 2f3r n SER 13 N -1.24 3.09 0.00 6.66 2.88 -1.26 -2.64 113.62 121.11 2f3r n SER 13 Ca 0.09 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 2f3r n SER 13 Cb 0.53 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 2f3r n SER 13 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2f3r n GLY 14 N 0.67 0.72 0.01 0.46 0.00 -1.26 -4.90 105.19 100.88 2f3r n GLY 14 Ca 0.04 -0.33 0.10 0.00 0.00 0.00 0.00 46.02 45.83 2f3r n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f3r n ALA 15 N -0.51 3.92 -0.04 4.61 0.00 -1.08 -4.75 120.51 122.65 2f3r n ALA 15 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2f3r n ALA 15 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.68 2f3r n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2f3r n GLY 16 N 1.40 0.51 0.32 0.00 0.00 -1.26 -4.79 105.19 101.37 2f3r n GLY 16 Ca 0.01 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.20 2f3r n GLY 16 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2f3r h LYS 17 N 4.90 0.18 0.76 1.61 3.64 -1.93 -1.33 116.57 124.41 2f3r h LYS 17 Ca 0.00 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 2f3r h LYS 17 Cb 0.00 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2f3r h LYS 17 CO 0.00 0.12 -0.37 0.77 -2.27 0.00 0.00 179.45 177.70 2f3r h SER 18 N 0.18 -0.87 -0.58 4.20 0.02 -1.99 -1.91 113.55 112.62 2f3r h SER 18 Ca 0.62 0.03 0.15 0.00 -0.84 0.00 0.00 61.79 61.75 2f3r h SER 18 Cb 1.34 0.22 -0.03 0.00 0.14 0.00 0.00 62.40 64.08 2f3r h SER 18 CO -0.69 -0.54 0.40 0.77 -1.14 0.00 0.00 176.83 175.63 2f3r h SER 19 N -1.19 0.11 0.08 3.07 4.64 -1.90 0.11 113.55 118.47 2f3r h SER 19 Ca -0.10 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2f3r h SER 19 Cb 0.79 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2f3r h SER 19 CO 0.17 0.06 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.08 2f3r h LEU 20 N 0.12 -0.09 -1.11 5.97 3.38 -1.17 0.05 115.31 122.46 2f3r h LEU 20 Ca 0.28 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2f3r h LEU 20 Cb 0.93 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 2f3r h LEU 20 CO -0.03 0.27 0.32 0.40 0.09 0.00 0.00 178.44 179.48 2f3r h ILE 21 N -0.46 1.21 -0.26 1.22 2.04 -0.38 -0.30 117.51 120.59 2f3r h ILE 21 Ca -0.01 -0.60 -0.16 0.00 1.00 0.00 0.00 64.86 65.09 2f3r h ILE 21 Cb 0.39 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2f3r h ILE 21 CO 0.02 0.25 -0.48 1.56 0.00 0.00 0.00 178.15 179.50 2f3r h GLN 22 N 0.94 0.72 -0.35 2.37 1.08 -0.76 -2.23 115.11 116.88 2f3r h GLN 22 Ca 0.23 -0.42 -0.09 0.00 -1.45 0.00 0.00 58.65 56.93 2f3r h GLN 22 Cb 0.10 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 2f3r h GLN 22 CO -0.03 1.04 -0.15 0.00 -0.95 0.00 0.00 178.83 178.73 2f3r h ALA 23 N 0.89 1.08 0.36 3.87 0.00 -0.57 -2.96 119.26 121.93 2f3r h ALA 23 Ca 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2f3r h ALA 23 Cb 1.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2f3r h ALA 23 CO 0.10 0.56 -0.17 1.25 0.00 0.00 0.00 179.25 180.99 2f3r h LEU 24 N 0.57 -0.41 -1.96 0.00 5.85 -0.79 -2.96 115.31 115.60 2f3r h LEU 24 Ca 0.09 -0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.90 2f3r h LEU 24 Cb 0.59 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2f3r h LEU 24 CO 0.04 -0.27 0.24 -0.07 -0.34 0.00 0.00 178.44 178.05 2f3r h LEU 25 N -0.51 0.04 -0.53 2.25 3.38 -1.35 -1.76 115.31 116.84 2f3r h LEU 25 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2f3r h LEU 25 Cb 0.39 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2f3r h LEU 25 CO 0.08 0.03 0.00 0.29 0.09 0.00 0.00 178.44 178.93 2f3r n LYS 26 N -4.45 0.10 -0.01 1.13 5.02 -1.12 -2.21 118.16 116.61 2f3r n LYS 26 Ca 0.05 0.43 0.04 0.00 -2.02 0.00 0.00 58.31 56.81 2f3r n LYS 26 Cb 0.39 -1.72 0.04 0.00 -0.02 0.00 0.00 35.03 33.72 2f3r n LYS 26 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2f3r n THR 27 N -1.91 0.11 -5.09 -0.18 -2.24 -0.66 -4.99 114.28 99.31 2f3r n THR 27 Ca 0.01 -0.55 -0.29 0.00 -2.27 0.00 0.00 64.05 60.95 2f3r n THR 27 Cb 0.14 1.10 -0.16 0.00 -2.10 0.00 0.00 70.33 69.30 2f3r n THR 27 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2f3r s GLN 28 N -0.71 2.08 0.56 -0.78 1.11 -0.94 -5.13 119.66 115.84 2f3r s GLN 28 Ca 0.10 -0.79 -0.18 0.00 0.01 0.00 0.00 55.36 54.51 2f3r s GLN 28 Cb 0.07 -1.85 -0.05 0.00 -1.01 0.00 0.00 33.01 30.17 2f3r s GLN 28 CO 0.10 0.38 1.08 -2.14 0.01 0.00 0.00 175.29 174.72 2f3r s PRO 29 N -0.24 3.40 0.60 2.91 0.02 -1.26 -4.80 135.00 135.63 2f3r s PRO 29 Ca 0.01 1.40 0.30 0.00 0.02 0.00 0.00 61.00 62.72 2f3r s PRO 29 Cb -0.11 -2.03 1.71 0.00 0.02 0.00 0.00 34.50 34.08 2f3r s PRO 29 CO 0.02 -0.77 2.11 -0.07 -0.33 0.00 0.00 177.00 177.95 2f3r h LEU 30 N 0.94 0.00 0.00 -5.54 3.38 -1.94 -0.75 115.31 111.40 2f3r h LEU 30 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2f3r h LEU 30 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2f3r h LEU 30 CO 0.57 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.10 2f3r n TYR 31 N -3.70 0.00 -0.06 1.13 0.18 -1.26 -4.20 117.16 109.25 2f3r n TYR 31 Ca 0.01 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.66 2f3r n TYR 31 Cb 0.31 -0.50 -0.04 0.00 -0.38 0.00 0.00 39.34 38.73 2f3r n TYR 31 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 2f3r n ASP 32 N -1.50 1.26 -4.13 9.48 8.00 -0.34 -4.58 116.55 124.74 2f3r n ASP 32 Ca 0.06 0.21 -0.21 0.00 0.71 0.00 0.00 54.79 55.56 2f3r n ASP 32 Cb 0.31 -0.49 -0.14 0.00 -0.02 0.00 0.00 41.12 40.78 2f3r n ASP 32 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2f3r s THR 33 N -2.36 1.12 0.10 -3.53 2.01 -0.91 -1.04 115.64 111.03 2f3r s THR 33 Ca -0.20 -0.88 -0.11 0.00 0.31 0.00 0.00 61.69 60.82 2f3r s THR 33 Cb 0.06 -0.99 0.01 0.00 0.01 0.00 0.00 72.50 71.59 2f3r s THR 33 CO 0.26 0.11 0.26 -1.10 -0.69 0.00 0.00 174.62 173.46 2f3r s GLN 34 N -0.88 0.90 -0.03 4.92 -0.21 -0.73 -4.26 119.66 119.38 2f3r s GLN 34 Ca 0.03 -0.85 0.02 0.00 0.02 0.00 0.00 55.36 54.58 2f3r s GLN 34 Cb -0.07 0.38 -0.03 0.00 1.00 0.00 0.00 33.01 34.29 2f3r s GLN 34 CO 0.01 -0.31 -0.04 0.54 -2.12 0.00 0.00 175.29 173.37 2f3r s VAL 35 N -3.73 3.88 0.45 1.09 0.11 -1.26 -0.26 120.40 120.67 2f3r s VAL 35 Ca 0.03 -0.59 -0.21 0.00 -2.93 0.00 0.00 61.98 58.28 2f3r s VAL 35 Cb 0.03 -2.66 -0.09 0.00 -1.53 0.00 0.00 36.38 32.13 2f3r s VAL 35 CO -0.11 0.47 1.03 -0.55 -3.33 0.00 0.00 175.10 172.61 2f3r s SER 36 N -1.23 6.55 -0.45 3.54 0.15 0.21 -4.84 113.70 117.63 2f3r s SER 36 Ca 0.16 1.92 -0.19 0.00 0.70 0.00 0.00 55.95 58.54 2f3r s SER 36 Cb -0.11 -2.56 0.03 0.00 -1.71 0.00 0.00 66.02 61.67 2f3r s SER 36 CO 0.06 -0.64 0.55 -0.69 1.20 0.00 0.00 173.24 173.72 2f3r s VAL 37 N -1.93 4.95 0.44 4.45 1.01 -1.26 -4.89 120.40 123.17 2f3r s VAL 37 Ca 0.64 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.37 2f3r s VAL 37 Cb -0.17 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 2f3r s VAL 37 CO 0.21 -0.57 0.70 -0.44 0.00 0.00 0.00 175.10 175.00 2f3r s SER 38 N 2.08 6.22 -0.11 3.32 0.01 -1.26 -4.60 113.70 119.36 2f3r s SER 38 Ca 0.16 0.73 -0.08 0.00 1.31 0.00 0.00 55.95 58.07 2f3r s SER 38 Cb -0.17 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 2f3r s SER 38 CO 0.15 -0.51 0.16 -1.00 0.41 0.00 0.00 173.24 172.45 2f3r s HIS 39 N -2.60 3.60 0.07 2.43 3.76 -0.32 -0.43 115.29 121.80 2f3r s HIS 39 Ca 0.45 0.56 -0.12 0.00 -0.15 0.00 0.00 55.06 55.80 2f3r s HIS 39 Cb -0.10 -1.98 0.01 0.00 1.11 0.00 0.00 32.58 31.62 2f3r s HIS 39 CO 0.42 0.71 0.27 -0.08 -0.85 0.00 0.00 174.74 175.20 2f3r s THR 40 N -0.96 0.10 -0.71 1.30 -1.32 -0.85 -1.30 115.64 111.91 2f3r s THR 40 Ca 0.15 -0.86 0.22 0.00 -1.21 0.00 0.00 61.69 60.00 2f3r s THR 40 Cb -0.12 -1.10 -0.22 0.00 -1.51 0.00 0.00 72.50 69.55 2f3r s THR 40 CO 0.04 -0.47 0.85 0.35 -2.21 0.00 0.00 174.62 173.18 2f3r n THR 41 N 0.27 0.03 -1.91 5.08 -2.24 -0.97 -1.16 114.28 113.39 2f3r n THR 41 Ca -0.17 -0.16 -0.33 0.00 -2.27 0.00 0.00 64.05 61.12 2f3r n THR 41 Cb 0.61 0.59 0.03 0.00 -2.10 0.00 0.00 70.33 69.46 2f3r n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f3r s ARG 42 N -3.16 3.05 0.42 -0.78 1.70 -1.26 -4.84 118.95 114.08 2f3r s ARG 42 Ca 0.04 1.33 -0.25 0.00 -0.47 0.00 0.00 55.73 56.37 2f3r s ARG 42 Cb 0.15 -1.99 -0.08 0.00 -0.57 0.00 0.00 34.95 32.46 2f3r s ARG 42 CO 0.86 -1.04 1.26 -0.65 -1.08 0.00 0.00 175.30 174.64 2f3r s GLN 43 N -4.04 3.89 0.62 3.89 -1.52 -1.26 -4.88 119.66 116.37 2f3r s GLN 43 Ca 0.66 2.03 -0.17 0.00 -1.95 0.00 0.00 55.36 55.93 2f3r s GLN 43 Cb -0.19 -2.65 -0.02 0.00 -0.22 0.00 0.00 33.01 29.94 2f3r s GLN 43 CO 0.39 -0.52 1.18 -2.14 -0.25 0.00 0.00 175.29 173.95 2f3r s PRO 44 N -2.37 2.83 0.02 2.91 0.02 -1.26 -5.00 135.00 132.15 2f3r s PRO 44 Ca 0.59 1.70 -0.05 0.00 0.02 0.00 0.00 61.00 63.27 2f3r s PRO 44 Cb -0.35 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.20 2f3r s PRO 44 CO 0.44 -1.28 0.25 1.03 -0.33 0.00 0.00 177.00 177.11 2f3r s ARG 45 N -3.58 3.53 -0.48 5.54 0.52 -1.26 -4.99 118.95 118.23 2f3r s ARG 45 Ca 0.74 -0.19 -0.44 0.00 -0.52 0.00 0.00 55.73 55.32 2f3r s ARG 45 Cb -0.27 -3.06 -0.19 0.00 0.52 0.00 0.00 34.95 31.95 2f3r s ARG 45 CO 0.36 0.63 1.67 -2.30 0.02 0.00 0.00 175.30 175.68 2f3r n PRO 46 N 0.88 0.00 -2.21 3.54 -0.02 -1.26 -1.14 135.00 134.79 2f3r n PRO 46 Ca -0.10 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.35 2f3r n PRO 46 Cb 0.52 -1.43 0.02 0.00 -0.02 0.00 0.00 33.50 32.59 2f3r n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2f3r n GLY 47 N 4.71 0.32 2.68 -1.23 0.00 -1.26 -5.05 105.19 105.34 2f3r n GLY 47 Ca 0.36 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 2f3r n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2f3r s GLU 48 N -4.11 0.25 0.23 1.61 2.12 -0.29 -5.14 118.70 113.37 2f3r s GLU 48 Ca 0.01 -0.24 -0.30 0.00 0.36 0.00 0.00 54.97 54.81 2f3r s GLU 48 Cb -0.00 -0.93 -0.09 0.00 0.26 0.00 0.00 34.13 33.37 2f3r s GLU 48 CO 0.15 -0.97 0.95 0.54 -0.54 0.00 0.00 175.26 175.38 2f3r s VAL 49 N 2.26 4.11 0.94 3.70 0.11 -1.26 -4.62 120.40 125.64 2f3r s VAL 49 Ca 0.09 2.08 -0.11 0.00 -2.93 0.00 0.00 61.98 61.10 2f3r s VAL 49 Cb -0.15 -4.32 0.11 0.00 -1.53 0.00 0.00 36.38 30.49 2f3r s VAL 49 CO -0.31 0.48 0.86 1.57 -3.33 0.00 0.00 175.10 174.37 2f3r n HIS 50 N 1.64 -0.07 0.00 1.54 -0.00 -1.26 -2.77 115.22 114.30 2f3r n HIS 50 Ca -0.01 0.32 0.00 0.00 0.46 0.00 0.00 57.72 58.49 2f3r n HIS 50 Cb 0.47 -1.91 0.00 0.00 -0.12 0.00 0.00 29.99 28.43 2f3r n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2f3r n GLY 51 N 0.76 0.77 0.00 1.57 0.00 0.17 -4.62 105.19 103.84 2f3r n GLY 51 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2f3r n GLY 51 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2f3r n GLU 52 N -1.12 0.00 0.24 1.61 2.13 -1.12 -4.73 120.64 117.65 2f3r n GLU 52 Ca 0.00 0.14 -0.11 0.00 0.66 0.00 0.00 57.16 57.85 2f3r n GLU 52 Cb 0.00 -0.54 -0.06 0.00 0.27 0.00 0.00 31.44 31.12 2f3r n GLU 52 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2f3r h HIS 53 N 0.00 -0.61 -4.05 4.31 3.86 -1.80 -3.44 115.15 113.42 2f3r h HIS 53 Ca 0.00 -0.01 -0.41 0.00 -1.16 0.00 0.00 60.37 58.78 2f3r h HIS 53 Cb 0.00 0.20 -0.14 0.00 1.06 0.00 0.00 27.41 28.53 2f3r h HIS 53 CO 0.00 -0.33 -0.55 0.71 0.86 0.00 0.00 177.93 178.61 2f3r s TYR 54 N -3.95 1.59 -0.46 2.45 2.02 -1.26 -4.05 117.35 113.69 2f3r s TYR 54 Ca -0.11 -1.40 -0.02 0.00 -0.37 0.00 0.00 57.07 55.17 2f3r s TYR 54 Cb 0.01 -0.83 0.12 0.00 -0.40 0.00 0.00 41.96 40.86 2f3r s TYR 54 CO 0.35 -0.56 0.25 -0.06 -1.57 0.00 0.00 175.55 173.97 2f3r s PHE 55 N -3.62 3.54 -0.44 2.71 2.99 0.43 0.45 117.98 124.04 2f3r s PHE 55 Ca 0.36 -2.58 -0.28 0.00 0.00 0.00 0.00 56.93 54.43 2f3r s PHE 55 Cb 0.05 -3.17 0.03 0.00 0.00 0.00 0.00 43.02 39.92 2f3r s PHE 55 CO 0.18 -0.93 1.07 -0.06 -0.00 0.00 0.00 175.22 175.48 2f3r s PHE 56 N 0.75 2.91 0.31 0.36 0.40 -1.26 -2.01 117.98 119.44 2f3r s PHE 56 Ca 0.11 0.73 0.09 0.00 -0.60 0.00 0.00 56.93 57.26 2f3r s PHE 56 Cb -0.22 -4.17 -0.06 0.00 0.51 0.00 0.00 43.02 39.08 2f3r s PHE 56 CO -0.04 -1.13 -0.11 0.14 0.70 0.00 0.00 175.22 174.78 2f3r s VAL 57 N 4.12 2.14 0.52 -0.44 -7.23 -0.31 -4.98 120.40 114.22 2f3r s VAL 57 Ca 0.45 -2.23 -0.11 0.00 -1.81 0.00 0.00 61.98 58.28 2f3r s VAL 57 Cb -0.09 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.29 2f3r s VAL 57 CO 0.27 -0.28 0.91 0.20 -0.31 0.00 0.00 175.10 175.89 2f3r s ASN 58 N -3.54 6.39 0.30 4.85 0.01 -1.26 -4.01 114.94 117.68 2f3r s ASN 58 Ca 0.31 1.28 0.05 0.00 -0.71 0.00 0.00 52.86 53.79 2f3r s ASN 58 Cb 0.01 -2.40 0.80 0.00 0.41 0.00 0.00 41.25 40.08 2f3r s ASN 58 CO 0.15 -0.64 1.64 -0.74 -1.51 0.00 0.00 177.10 176.00 2f3r h HIS 59 N 0.41 0.43 -0.33 2.20 2.76 -1.95 -0.44 115.15 118.24 2f3r h HIS 59 Ca -0.46 0.05 -0.12 0.00 -2.20 0.00 0.00 60.37 57.64 2f3r h HIS 59 Cb 1.19 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 30.11 2f3r h HIS 59 CO 0.63 -0.24 -0.28 -0.44 -1.30 0.00 0.00 177.93 176.30 2f3r h ASP 60 N 0.20 0.81 -0.91 3.26 3.32 -1.99 -2.52 116.42 118.59 2f3r h ASP 60 Ca 0.60 -0.45 0.01 0.00 0.02 0.00 0.00 57.03 57.20 2f3r h ASP 60 Cb 1.26 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 2f3r h ASP 60 CO -0.68 1.10 0.59 -0.33 -1.72 0.00 0.00 179.24 178.20 2f3r h GLU 61 N 0.54 1.20 -0.13 3.56 5.08 -1.50 -2.02 114.58 121.31 2f3r h GLU 61 Ca 0.06 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 2f3r h GLU 61 Cb 0.85 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2f3r h GLU 61 CO 0.07 0.80 -0.54 0.35 -1.00 0.00 0.00 179.01 178.70 2f3r h PHE 62 N 1.24 0.47 0.00 4.33 3.04 -1.27 -3.04 116.94 121.70 2f3r h PHE 62 Ca 0.33 -0.16 -0.07 0.00 3.98 0.00 0.00 57.97 62.05 2f3r h PHE 62 Cb -0.13 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.28 2f3r h PHE 62 CO 0.00 0.83 -0.33 0.87 -2.02 0.00 0.00 178.31 177.66 2f3r h LYS 63 N 0.29 0.00 0.00 1.11 1.57 -0.93 -2.82 116.57 115.79 2f3r h LYS 63 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2f3r h LYS 63 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2f3r h LYS 63 CO 0.09 0.33 -0.40 0.93 -0.57 0.00 0.00 179.45 179.83 2f3r h GLU 64 N 0.00 0.00 0.03 3.15 5.08 -1.32 -3.20 114.58 118.32 2f3r h GLU 64 Ca -0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 2f3r h GLU 64 Cb 0.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2f3r h GLU 64 CO 0.04 0.00 -0.98 0.52 -1.00 0.00 0.00 179.01 177.59 2f3r h MET 65 N 0.00 0.18 -0.56 2.33 2.86 -1.40 -2.66 114.93 115.68 2f3r h MET 65 Ca 0.00 -0.24 -0.07 0.00 -2.06 0.00 0.00 59.70 57.34 2f3r h MET 65 Cb 0.93 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 2f3r h MET 65 CO 0.00 1.02 0.07 0.82 1.06 0.00 0.00 176.91 179.88 2f3r h ILE 66 N 0.08 1.25 -0.46 -1.22 2.04 -1.52 -1.75 117.51 115.93 2f3r h ILE 66 Ca -0.06 -0.97 -0.11 0.00 1.00 0.00 0.00 64.86 64.72 2f3r h ILE 66 Cb 1.65 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 2f3r h ILE 66 CO 0.15 0.35 -0.15 0.28 0.00 0.00 0.00 178.15 178.78 2f3r h SER 67 N 0.86 0.93 0.00 1.72 0.02 -1.56 -2.03 113.55 113.49 2f3r h SER 67 Ca 0.17 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2f3r h SER 67 Cb 0.40 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2f3r h SER 67 CO 0.01 1.10 0.00 0.54 -1.14 0.00 0.00 176.83 177.34 2f3r n ARG 68 N -4.21 0.54 -2.63 3.45 1.74 -0.90 -4.81 116.66 109.84 2f3r n ARG 68 Ca -0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 2f3r n ARG 68 Cb 0.41 -1.17 -0.00 0.00 -1.02 0.00 0.00 32.46 30.68 2f3r n ARG 68 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2f3r n ASP 69 N -0.67 -3.23 0.15 0.55 4.64 -0.76 -4.80 116.55 112.43 2f3r n ASP 69 Ca 0.04 0.15 0.13 0.00 -1.38 0.00 0.00 54.79 53.73 2f3r n ASP 69 Cb 0.02 -2.77 0.51 0.00 -1.04 0.00 0.00 41.12 37.84 2f3r n ASP 69 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2f3r h ALA 70 N 0.99 1.00 -2.66 -1.67 0.00 -1.57 -3.45 119.26 111.90 2f3r h ALA 70 Ca -0.26 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.01 2f3r h ALA 70 Cb 1.18 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 2f3r h ALA 70 CO 0.31 0.00 -0.39 -0.06 0.00 0.00 0.00 179.25 179.10 2f3r s PHE 71 N -3.35 3.63 -0.04 0.00 0.08 -1.26 -1.47 117.98 115.57 2f3r s PHE 71 Ca 0.04 0.66 0.12 0.00 0.12 0.00 0.00 56.93 57.87 2f3r s PHE 71 Cb 0.09 -2.04 -0.03 0.00 -0.57 0.00 0.00 43.02 40.47 2f3r s PHE 71 CO 0.43 0.70 1.38 1.25 -0.10 0.00 0.00 175.22 178.88 2f3r h LEU 72 N 4.76 0.00 -7.00 -0.37 5.85 -1.30 -3.46 115.31 113.79 2f3r h LEU 72 Ca -0.53 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.34 2f3r h LEU 72 Cb 1.22 0.00 -0.23 0.00 0.37 0.00 0.00 40.66 42.02 2f3r h LEU 72 CO 0.60 0.70 0.69 -1.83 -0.34 0.00 0.00 178.44 178.26 2f3r s GLU 73 N -2.88 0.43 -0.01 1.25 4.04 -1.25 -4.71 118.70 115.57 2f3r s GLU 73 Ca 0.03 0.04 -0.20 0.00 0.04 0.00 0.00 54.97 54.87 2f3r s GLU 73 Cb 0.09 0.20 0.04 0.00 0.02 0.00 0.00 34.13 34.48 2f3r s GLU 73 CO 0.77 -0.15 0.44 -3.38 -1.84 0.00 0.00 175.26 171.10 2f3r s HIS 74 N -1.45 -0.34 0.21 4.83 -3.43 -1.26 -0.46 115.29 113.39 2f3r s HIS 74 Ca 0.03 0.50 -0.16 0.00 -0.80 0.00 0.00 55.06 54.62 2f3r s HIS 74 Cb -0.01 0.22 0.02 0.00 -1.43 0.00 0.00 32.58 31.38 2f3r s HIS 74 CO -0.03 -0.50 0.51 0.00 -2.00 0.00 0.00 174.74 172.73 2f3r s ALA 75 N -1.58 -0.79 -0.26 -1.38 0.00 0.62 -4.85 121.76 113.52 2f3r s ALA 75 Ca -0.11 -0.37 -0.10 0.00 0.00 0.00 0.00 51.96 51.38 2f3r s ALA 75 Cb -0.03 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 2f3r s ALA 75 CO 0.04 -0.82 0.15 -2.00 0.00 0.00 0.00 175.76 173.13 2f3r s GLU 76 N -3.90 3.89 -0.10 0.00 2.12 -1.26 -1.23 118.70 118.21 2f3r s GLU 76 Ca 0.12 -0.36 -0.01 0.00 0.36 0.00 0.00 54.97 55.08 2f3r s GLU 76 Cb -0.01 -3.53 0.03 0.00 0.26 0.00 0.00 34.13 30.88 2f3r s GLU 76 CO -0.00 -0.12 -0.02 0.08 -0.54 0.00 0.00 175.26 174.66 2f3r s VAL 77 N 1.54 0.59 -1.45 3.70 1.01 0.59 -4.87 120.40 121.51 2f3r s VAL 77 Ca 0.07 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 2f3r s VAL 77 Cb -0.15 -0.75 0.05 0.00 0.00 0.00 0.00 36.38 35.53 2f3r s VAL 77 CO 0.08 0.23 0.75 0.33 0.00 0.00 0.00 175.10 176.49 2f3r n PHE 78 N 5.07 -1.98 -0.52 5.22 7.35 -1.26 -2.46 117.46 128.88 2f3r n PHE 78 Ca -0.09 0.84 0.00 0.00 -0.76 0.00 0.00 57.45 57.44 2f3r n PHE 78 Cb 0.50 -3.98 0.00 0.00 0.35 0.00 0.00 39.48 36.35 2f3r n PHE 78 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2f3r n GLY 79 N -1.68 0.75 3.30 7.13 0.00 -1.26 -5.05 105.19 108.38 2f3r n GLY 79 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 2f3r n GLY 79 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2f3r s ASN 80 N -2.57 0.09 -0.06 1.61 -0.87 -1.03 -5.00 114.94 107.11 2f3r s ASN 80 Ca 0.00 -0.94 -0.13 0.00 -1.57 0.00 0.00 52.86 50.22 2f3r s ASN 80 Cb 0.00 0.41 -0.05 0.00 -0.02 0.00 0.00 41.25 41.59 2f3r s ASN 80 CO 0.00 -0.86 0.33 -0.31 -2.57 0.00 0.00 177.10 173.69 2f3r s TYR 81 N -3.98 3.64 -0.01 2.20 1.51 -1.26 -0.30 117.35 119.14 2f3r s TYR 81 Ca 0.19 0.81 0.01 0.00 -1.01 0.00 0.00 57.07 57.07 2f3r s TYR 81 Cb 0.04 -2.24 0.00 0.00 -0.11 0.00 0.00 41.96 39.65 2f3r s TYR 81 CO 0.00 0.56 -0.02 0.71 -1.11 0.00 0.00 175.55 175.69 2f3r s TYR 82 N -0.66 0.25 0.10 2.71 1.51 -0.37 -2.28 117.35 118.62 2f3r s TYR 82 Ca 0.21 -0.03 -0.12 0.00 -1.01 0.00 0.00 57.07 56.12 2f3r s TYR 82 Cb -0.15 -0.21 0.01 0.00 -0.11 0.00 0.00 41.96 41.50 2f3r s TYR 82 CO 0.09 -0.03 0.27 0.20 -1.11 0.00 0.00 175.55 174.97 2f3r s GLY 83 N 0.19 -0.05 -0.37 0.71 0.00 -0.42 -0.28 107.32 107.11 2f3r s GLY 83 Ca -0.02 -0.39 -0.08 0.00 0.00 0.00 0.00 44.72 44.23 2f3r s GLY 83 CO -0.01 -0.61 0.18 -1.59 0.00 0.00 0.00 173.10 171.08 2f3r s THR 84 N -3.83 4.14 0.04 0.90 2.01 0.39 -1.17 115.64 118.11 2f3r s THR 84 Ca 0.04 -1.14 -0.33 0.00 0.31 0.00 0.00 61.69 60.57 2f3r s THR 84 Cb 0.04 -3.39 -0.12 0.00 0.01 0.00 0.00 72.50 69.04 2f3r s THR 84 CO -0.11 -0.29 1.80 -0.24 -0.69 0.00 0.00 174.62 175.08 2f3r n SER 85 N 4.89 3.56 -0.05 3.53 2.88 -1.26 -0.85 113.62 126.32 2f3r n SER 85 Ca -0.11 1.00 -0.06 0.00 -1.33 0.00 0.00 58.87 58.36 2f3r n SER 85 Cb 0.45 -1.44 0.13 0.00 -0.75 0.00 0.00 64.21 62.59 2f3r n SER 85 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2f3r h ARG 86 N 8.29 0.68 0.11 -1.46 3.08 -1.58 -3.30 114.38 120.20 2f3r h ARG 86 Ca -0.47 -0.26 0.01 0.00 0.07 0.00 0.00 59.98 59.32 2f3r h ARG 86 Cb 1.25 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.22 2f3r h ARG 86 CO 0.93 0.85 -0.46 1.49 -1.07 0.00 0.00 179.97 181.71 2f3r h GLU 87 N 0.60 -0.63 -0.24 0.04 4.81 -1.90 -2.38 114.58 114.87 2f3r h GLU 87 Ca 0.09 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.42 2f3r h GLU 87 Cb 0.70 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 30.17 2f3r h GLU 87 CO 0.05 -0.42 -0.14 0.00 -0.73 0.00 0.00 179.01 177.77 2f3r h ALA 88 N -0.68 0.04 -0.30 2.92 0.00 -1.98 -1.99 119.26 117.27 2f3r h ALA 88 Ca -0.01 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2f3r h ALA 88 Cb 0.66 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2f3r h ALA 88 CO -0.25 -0.56 -0.03 0.82 0.00 0.00 0.00 179.25 179.24 2f3r h ILE 89 N -0.12 0.75 -0.13 0.00 1.08 -1.61 0.37 117.51 117.84 2f3r h ILE 89 Ca 0.13 -0.02 -0.09 0.00 -0.39 0.00 0.00 64.86 64.50 2f3r h ILE 89 Cb 0.33 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 2f3r h ILE 89 CO -0.32 0.01 -0.30 -0.33 -0.69 0.00 0.00 178.15 176.52 2f3r h GLU 90 N 0.05 0.25 -0.02 2.37 5.08 -1.25 -2.10 114.58 118.97 2f3r h GLU 90 Ca 0.14 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 2f3r h GLU 90 Cb 0.20 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2f3r h GLU 90 CO -0.27 0.54 -0.21 1.96 -1.00 0.00 0.00 179.01 180.03 2f3r h GLN 91 N 0.22 0.18 -0.67 2.33 4.20 -0.92 -2.73 115.11 117.73 2f3r h GLN 91 Ca 0.03 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.50 2f3r h GLN 91 Cb 0.65 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 2f3r h GLN 91 CO 0.05 0.85 0.14 0.28 -0.67 0.00 0.00 178.83 179.48 2f3r h VAL 92 N -0.43 1.26 -0.35 -0.54 2.07 -0.94 -2.49 116.25 114.84 2f3r h VAL 92 Ca -0.02 -1.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 2f3r h VAL 92 Cb 0.91 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2f3r h VAL 92 CO 0.04 0.38 -0.01 -0.07 0.02 0.00 0.00 177.57 177.93 2f3r h LEU 93 N 1.02 0.52 -1.07 2.57 3.38 -1.48 -2.71 115.31 117.54 2f3r h LEU 93 Ca 0.21 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.09 2f3r h LEU 93 Cb 0.40 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 2f3r h LEU 93 CO 0.01 0.59 0.63 0.00 0.09 0.00 0.00 178.44 179.76 2f3r h ALA 94 N 1.47 1.34 0.00 1.53 0.00 -1.12 0.01 119.26 122.50 2f3r h ALA 94 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2f3r h ALA 94 Cb 0.35 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2f3r h ALA 94 CO 0.01 0.60 0.00 0.25 0.00 0.00 0.00 179.25 180.11 2f3r n THR 95 N -4.40 0.00 -0.96 0.00 -2.24 -1.04 -4.38 114.28 101.26 2f3r n THR 95 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2f3r n THR 95 Cb 0.03 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 2f3r n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f3r n GLY 96 N 0.07 0.63 3.76 3.38 0.00 -0.37 -4.85 105.19 107.81 2f3r n GLY 96 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2f3r n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f3r s VAL 97 N -2.67 4.17 -0.27 1.61 1.01 -1.13 -3.80 120.40 119.32 2f3r s VAL 97 Ca 0.00 1.95 -0.26 0.00 0.00 0.00 0.00 61.98 63.68 2f3r s VAL 97 Cb 0.00 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.13 2f3r s VAL 97 CO 0.00 0.48 0.89 -1.81 0.00 0.00 0.00 175.10 174.66 2f3r s ASP 98 N -1.20 6.84 -0.17 3.32 1.01 -0.21 -3.93 116.67 122.32 2f3r s ASP 98 Ca 0.40 0.98 -0.06 0.00 0.71 0.00 0.00 52.55 54.57 2f3r s ASP 98 Cb -0.25 -2.46 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 2f3r s ASP 98 CO 0.30 -0.63 0.03 -0.69 0.21 0.00 0.00 175.17 174.39 2f3r s VAL 99 N 3.07 4.51 -0.22 -1.27 1.01 -1.03 -1.76 120.40 124.71 2f3r s VAL 99 Ca 0.37 -0.14 -0.14 0.00 0.00 0.00 0.00 61.98 62.08 2f3r s VAL 99 Cb -0.14 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 2f3r s VAL 99 CO 0.10 0.47 0.31 -0.36 0.00 0.00 0.00 175.10 175.63 2f3r s PHE 100 N 0.34 3.35 -0.34 5.22 0.40 0.64 -1.28 117.98 126.30 2f3r s PHE 100 Ca 0.01 0.47 -0.09 0.00 -0.60 0.00 0.00 56.93 56.72 2f3r s PHE 100 Cb -0.13 -2.44 0.02 0.00 0.51 0.00 0.00 43.02 40.99 2f3r s PHE 100 CO 0.01 0.01 0.15 -0.51 0.70 0.00 0.00 175.22 175.58 2f3r s LEU 101 N 1.24 4.39 -0.55 -0.37 1.43 0.64 -0.62 118.68 124.84 2f3r s LEU 101 Ca 0.15 -0.94 -0.22 0.00 -1.03 0.00 0.00 54.13 52.09 2f3r s LEU 101 Cb -0.14 -1.95 0.05 0.00 0.03 0.00 0.00 46.19 44.18 2f3r s LEU 101 CO 0.07 -0.32 0.82 -0.62 0.23 0.00 0.00 176.35 176.53 2f3r s ASP 102 N 1.51 6.27 0.11 2.29 -1.08 -1.26 -1.45 116.67 123.05 2f3r s ASP 102 Ca 0.01 -0.70 -0.07 0.00 -0.52 0.00 0.00 52.55 51.28 2f3r s ASP 102 Cb -0.19 -2.38 -0.01 0.00 -1.46 0.00 0.00 42.92 38.89 2f3r s ASP 102 CO 0.05 -1.13 0.18 0.27 0.52 0.00 0.00 175.17 175.05 2f3r s ILE 103 N 3.44 0.13 0.97 4.11 -4.36 -0.94 -4.99 121.20 119.54 2f3r s ILE 103 Ca 0.23 -1.38 -0.15 0.00 -0.26 0.00 0.00 60.65 59.08 2f3r s ILE 103 Cb -0.16 -1.56 0.19 0.00 1.25 0.00 0.00 42.46 42.17 2f3r s ILE 103 CO 0.15 -0.58 1.25 1.51 0.24 0.00 0.00 174.94 177.51 2f3r s ASP 104 N -2.91 3.08 0.47 4.36 -4.77 -1.26 -4.17 116.67 111.47 2f3r s ASP 104 Ca 0.10 0.47 0.20 0.00 -3.30 0.00 0.00 52.55 50.02 2f3r s ASP 104 Cb 0.05 -0.66 1.19 0.00 -1.09 0.00 0.00 42.92 42.40 2f3r s ASP 104 CO -0.07 -2.77 2.01 4.11 0.70 0.00 0.00 175.17 179.15 2f3r h TRP 105 N -1.66 0.00 -0.20 2.11 5.08 -1.96 -1.77 115.95 117.56 2f3r h TRP 105 Ca -0.45 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.49 2f3r h TRP 105 Cb 1.27 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.42 2f3r h TRP 105 CO -0.91 0.17 0.01 1.96 -1.28 0.00 0.00 178.44 178.39 2f3r h GLN 106 N 0.00 0.34 -0.70 0.12 4.20 -1.99 -2.00 115.11 115.08 2f3r h GLN 106 Ca -0.00 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 2f3r h GLN 106 Cb 0.36 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 2f3r h GLN 106 CO 0.02 0.53 0.22 0.78 -0.67 0.00 0.00 178.83 179.71 2f3r h GLY 107 N 0.11 1.17 0.81 3.46 0.00 -1.80 -2.71 103.07 104.10 2f3r h GLY 107 Ca 0.06 -0.68 0.05 0.00 0.00 0.00 0.00 47.33 46.76 2f3r h GLY 107 CO 0.01 0.64 0.57 0.00 0.00 0.00 0.00 176.54 177.76 2f3r h ALA 108 N 1.19 1.21 -0.50 3.60 0.00 -1.09 -1.29 119.26 122.37 2f3r h ALA 108 Ca 0.23 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2f3r h ALA 108 Cb 0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2f3r h ALA 108 CO -0.01 0.38 0.17 1.96 0.00 0.00 0.00 179.25 181.76 2f3r h GLN 109 N 1.08 0.77 -0.35 0.00 4.20 -1.06 -1.34 115.11 118.41 2f3r h GLN 109 Ca 0.37 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2f3r h GLN 109 Cb 0.08 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2f3r h GLN 109 CO -0.14 0.71 0.22 1.96 -0.67 0.00 0.00 178.83 180.90 2f3r h GLN 110 N 0.68 0.47 -0.47 1.46 4.20 -1.20 -2.55 115.11 117.69 2f3r h GLN 110 Ca 0.16 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 2f3r h GLN 110 Cb 0.25 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2f3r h GLN 110 CO -0.01 0.34 0.07 0.82 -0.67 0.00 0.00 178.83 179.38 2f3r h ILE 111 N 0.46 1.25 -0.09 2.54 1.08 -1.11 -2.37 117.51 119.28 2f3r h ILE 111 Ca 0.13 -0.93 0.02 0.00 -0.39 0.00 0.00 64.86 63.69 2f3r h ILE 111 Cb -0.02 0.93 -0.00 0.00 -3.07 0.00 0.00 36.82 34.66 2f3r h ILE 111 CO -0.02 0.33 0.10 0.03 -0.69 0.00 0.00 178.15 177.89 2f3r h ARG 112 N 0.66 0.00 0.00 2.37 3.08 -1.06 0.54 114.38 119.97 2f3r h ARG 112 Ca 0.14 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.99 2f3r h ARG 112 Cb 0.40 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 2f3r h ARG 112 CO 0.01 0.00 -1.01 0.37 -1.07 0.00 0.00 179.97 178.27 2f3r h GLN 113 N 0.00 0.00 0.00 0.04 5.75 -1.02 -3.26 115.11 116.62 2f3r h GLN 113 Ca 0.04 0.00 -0.33 0.00 -0.15 0.00 0.00 58.65 58.21 2f3r h GLN 113 Cb 0.23 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.72 2f3r h GLN 113 CO -0.00 0.83 -2.34 1.63 -2.65 0.00 0.00 178.83 176.30 2f3r n LYS 114 N -3.28 0.72 -3.51 1.69 5.02 -0.52 -4.70 118.16 113.58 2f3r n LYS 114 Ca -0.02 -0.03 -0.27 0.00 -2.02 0.00 0.00 58.31 55.98 2f3r n LYS 114 Cb 0.91 -1.51 -0.09 0.00 -0.02 0.00 0.00 35.03 34.32 2f3r n LYS 114 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2f3r n MET 115 N -2.70 1.57 0.23 1.97 2.81 0.18 -4.97 117.12 116.21 2f3r n MET 115 Ca -0.30 -4.08 0.09 0.00 -1.81 0.00 0.00 57.70 51.60 2f3r n MET 115 Cb 1.10 -1.96 0.49 0.00 -0.71 0.00 0.00 33.22 32.15 2f3r n MET 115 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 2f3r h PRO 116 N 4.74 0.00 -0.40 0.03 0.11 -1.75 -0.28 132.00 134.45 2f3r h PRO 116 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2f3r h PRO 116 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2f3r h PRO 116 CO 0.65 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.16 2f3r n HIS 117 N -2.36 0.51 -2.18 0.65 8.25 -1.26 -4.93 115.22 113.89 2f3r n HIS 117 Ca -0.01 -0.27 -0.37 0.00 -0.26 0.00 0.00 57.72 56.81 2f3r n HIS 117 Cb 0.39 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.50 2f3r n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2f3r s ALA 118 N -1.42 2.93 -0.11 -1.41 0.00 -0.12 -4.69 121.76 116.95 2f3r s ALA 118 Ca 0.38 0.99 -0.02 0.00 0.00 0.00 0.00 51.96 53.31 2f3r s ALA 118 Cb 0.22 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 2f3r s ALA 118 CO 0.31 -0.78 -0.01 1.03 0.00 0.00 0.00 175.76 176.30 2f3r s ARG 119 N -2.77 3.18 -0.09 0.00 1.81 0.12 -4.97 118.95 116.23 2f3r s ARG 119 Ca 0.65 -0.45 0.02 0.00 -1.72 0.00 0.00 55.73 54.23 2f3r s ARG 119 Cb -0.30 -2.82 -0.02 0.00 -0.45 0.00 0.00 34.95 31.36 2f3r s ARG 119 CO 0.36 0.56 -0.14 -1.54 -0.68 0.00 0.00 175.30 173.86 2f3r s SER 120 N -0.50 3.96 -0.11 0.23 1.04 -1.26 0.45 113.70 117.51 2f3r s SER 120 Ca 0.08 -0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.26 2f3r s SER 120 Cb -0.12 -1.23 -0.00 0.00 0.10 0.00 0.00 66.02 64.77 2f3r s SER 120 CO 0.02 0.25 -0.21 -0.63 0.98 0.00 0.00 173.24 173.65 2f3r s ILE 121 N -0.16 2.30 -0.08 -1.02 1.01 0.36 -1.18 121.20 122.42 2f3r s ILE 121 Ca -0.01 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.72 2f3r s ILE 121 Cb -0.13 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 2f3r s ILE 121 CO 0.03 0.55 -0.08 0.12 0.00 0.00 0.00 174.94 175.56 2f3r s PHE 122 N 0.43 2.91 -0.20 3.97 5.36 0.59 -1.28 117.98 129.76 2f3r s PHE 122 Ca -0.15 -0.06 0.00 0.00 -0.96 0.00 0.00 56.93 55.76 2f3r s PHE 122 Cb -0.17 -1.73 0.02 0.00 -0.34 0.00 0.00 43.02 40.80 2f3r s PHE 122 CO 0.06 0.25 -0.16 0.42 -1.46 0.00 0.00 175.22 174.34 2f3r s ILE 123 N -0.64 2.32 -0.03 3.12 1.01 -0.46 -0.96 121.20 125.57 2f3r s ILE 123 Ca 0.10 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 2f3r s ILE 123 Cb -0.11 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 2f3r s ILE 123 CO 0.02 0.43 0.07 -0.76 0.00 0.00 0.00 174.94 174.70 2f3r s LEU 124 N 1.30 3.88 0.73 2.97 1.43 -0.76 -4.30 118.68 123.92 2f3r s LEU 124 Ca 0.03 0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 53.19 2f3r s LEU 124 Cb -0.14 -2.17 0.03 0.00 0.03 0.00 0.00 46.19 43.93 2f3r s LEU 124 CO -0.10 0.30 1.08 -2.16 0.23 0.00 0.00 176.35 175.70 2f3r s PRO 125 N -1.52 2.68 0.48 1.29 0.04 -1.26 -2.01 135.00 134.70 2f3r s PRO 125 Ca 0.20 0.72 0.21 0.00 0.04 0.00 0.00 61.00 62.18 2f3r s PRO 125 Cb -0.12 -1.98 1.21 0.00 0.04 0.00 0.00 34.50 33.66 2f3r s PRO 125 CO 0.11 -1.22 2.02 -1.00 0.04 0.00 0.00 177.00 176.95 2f3r h PRO 126 N -0.80 0.00 -2.42 0.56 0.13 -1.93 -3.46 132.00 124.09 2f3r h PRO 126 Ca -0.45 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.84 2f3r h PRO 126 Cb 1.24 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.29 2f3r h PRO 126 CO 0.60 0.16 0.46 -1.54 -0.23 0.00 0.00 178.00 177.45 2f3r s SER 127 N -6.57 -0.17 0.01 1.44 1.04 -1.26 -5.03 113.70 103.16 2f3r s SER 127 Ca -0.03 -0.45 -0.25 0.00 0.48 0.00 0.00 55.95 55.70 2f3r s SER 127 Cb 0.14 0.52 -0.18 0.00 0.10 0.00 0.00 66.02 66.60 2f3r s SER 127 CO 0.64 -0.96 1.36 0.50 0.98 0.00 0.00 173.24 175.76 2f3r h LYS 128 N 2.00 -0.10 0.15 4.02 3.64 -1.98 0.18 116.57 124.48 2f3r h LYS 128 Ca -0.24 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.16 2f3r h LYS 128 Cb 1.23 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.03 2f3r h LYS 128 CO 0.26 0.23 -0.52 0.82 -2.27 0.00 0.00 179.45 177.98 2f3r h ILE 129 N -0.45 0.02 -0.72 2.00 1.08 -1.98 0.12 117.51 117.58 2f3r h ILE 129 Ca -0.01 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.59 2f3r h ILE 129 Cb 0.38 0.02 -0.09 0.00 -3.07 0.00 0.00 36.82 34.07 2f3r h ILE 129 CO 0.02 0.00 0.29 -0.08 -0.69 0.00 0.00 178.15 177.69 2f3r h GLU 130 N -0.77 0.44 -0.92 2.37 4.57 -1.95 0.42 114.58 118.75 2f3r h GLU 130 Ca -0.01 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.22 2f3r h GLU 130 Cb 0.76 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.19 2f3r h GLU 130 CO -0.27 0.29 0.60 1.25 -1.18 0.00 0.00 179.01 179.70 2f3r h LEU 131 N 0.46 0.91 -0.38 1.64 5.85 0.15 -0.68 115.31 123.26 2f3r h LEU 131 Ca 0.39 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 59.04 2f3r h LEU 131 Cb 0.55 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2f3r h LEU 131 CO -0.37 0.58 -0.04 -0.78 -0.34 0.00 0.00 178.44 177.48 2f3r h ASP 132 N 1.03 0.69 -0.73 1.25 1.82 0.23 -1.79 116.42 118.93 2f3r h ASP 132 Ca 0.40 -0.34 -0.02 0.00 -0.39 0.00 0.00 57.03 56.68 2f3r h ASP 132 Cb 0.22 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 40.01 2f3r h ASP 132 CO -0.15 0.87 0.39 -0.09 -1.61 0.00 0.00 179.24 178.64 2f3r h ARG 133 N 0.51 1.03 -0.55 0.28 2.43 0.23 -2.43 114.38 115.88 2f3r h ARG 133 Ca 0.10 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 2f3r h ARG 133 Cb 0.54 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2f3r h ARG 133 CO 0.03 0.78 -0.07 0.00 -1.51 0.00 0.00 179.97 179.20 2f3r h ARG 134 N 1.01 1.01 0.44 0.20 3.08 -1.05 -2.98 114.38 116.09 2f3r h ARG 134 Ca 0.26 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2f3r h ARG 134 Cb 0.06 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2f3r h ARG 134 CO -0.04 1.04 -0.29 -0.07 -1.07 0.00 0.00 179.97 179.54 2f3r h LEU 135 N 0.89 -0.73 -1.01 3.04 3.38 -1.07 -2.87 115.31 116.93 2f3r h LEU 135 Ca 0.15 0.05 0.19 0.00 0.09 0.00 0.00 57.88 58.36 2f3r h LEU 135 Cb 0.63 0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.50 2f3r h LEU 135 CO 0.04 -0.45 0.61 0.03 0.09 0.00 0.00 178.44 178.77 2f3r h ARG 136 N -0.70 0.73 0.00 1.13 3.08 -1.46 -3.51 114.38 113.65 2f3r h ARG 136 Ca -0.05 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2f3r h ARG 136 Cb 0.58 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2f3r h ARG 136 CO 0.03 0.48 0.00 0.41 -1.07 0.00 0.00 179.97 179.83 2f3r n GLY 137 N -1.33 0.00 3.72 0.04 0.00 -1.09 -5.13 105.19 101.40 2f3r n GLY 137 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 2f3r n GLY 137 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2f3r n SER 142 N 0.00 2.87 0.00 1.61 3.41 -1.26 -5.04 113.62 115.22 2f3r n SER 142 Ca 0.00 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.74 2f3r n SER 142 Cb 0.00 -1.54 0.02 0.00 -0.26 0.00 0.00 64.21 62.43 2f3r n SER 142 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2f3r n GLU 143 N 0.02 0.00 0.08 4.33 4.71 -1.26 -0.95 120.64 127.58 2f3r n GLU 143 Ca 0.06 0.41 -0.23 0.00 -0.01 0.00 0.00 57.16 57.39 2f3r n GLU 143 Cb 0.40 -1.50 -0.15 0.00 -1.01 0.00 0.00 31.44 29.18 2f3r n GLU 143 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2f3r h GLU 144 N 0.00 0.41 0.00 3.49 3.07 -2.06 -3.08 114.58 116.42 2f3r h GLU 144 Ca 0.00 -0.70 -0.19 0.00 -0.50 0.00 0.00 59.36 57.98 2f3r h GLU 144 Cb 0.01 0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 2f3r h GLU 144 CO 0.00 1.33 -0.86 0.28 -1.40 0.00 0.00 179.01 178.35 2f3r h VAL 145 N 0.11 1.55 -0.57 3.13 2.07 -1.49 -2.97 116.25 118.08 2f3r h VAL 145 Ca -0.33 -2.75 -0.10 0.00 0.82 0.00 0.00 66.70 64.34 2f3r h VAL 145 Cb 2.11 2.51 -0.02 0.00 -1.52 0.00 0.00 31.29 34.37 2f3r h VAL 145 CO 0.19 0.79 -0.03 0.40 0.02 0.00 0.00 177.57 178.94 2f3r h ILE 146 N 0.05 1.26 0.00 4.57 1.08 -1.44 -2.19 117.51 120.85 2f3r h ILE 146 Ca -0.03 -1.18 -0.08 0.00 -0.39 0.00 0.00 64.86 63.18 2f3r h ILE 146 Cb 1.50 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 36.09 2f3r h ILE 146 CO 0.12 0.42 -0.40 0.00 -0.69 0.00 0.00 178.15 177.61 2f3r h ALA 147 N 1.02 1.11 -0.26 1.87 0.00 -1.55 -1.48 119.26 119.97 2f3r h ALA 147 Ca 0.16 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 2f3r h ALA 147 Cb 0.58 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2f3r h ALA 147 CO 0.03 0.50 -0.56 -0.22 0.00 0.00 0.00 179.25 179.00 2f3r h LYS 148 N 0.00 0.82 -0.07 0.00 3.64 -1.30 -1.74 116.57 117.92 2f3r h LYS 148 Ca -0.00 -0.52 -0.17 0.00 -1.27 0.00 0.00 60.65 58.68 2f3r h LYS 148 Cb 0.82 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 2f3r h LYS 148 CO 0.05 1.15 -0.71 0.00 -2.27 0.00 0.00 179.45 177.68 2f3r h ARG 149 N 0.62 0.33 0.00 1.90 3.08 -1.21 -2.45 114.38 116.66 2f3r h ARG 149 Ca 0.01 -0.27 -0.08 0.00 0.07 0.00 0.00 59.98 59.71 2f3r h ARG 149 Cb 1.16 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 2f3r h ARG 149 CO 0.12 0.91 -0.37 1.98 -1.07 0.00 0.00 179.97 181.54 2f3r h MET 150 N 0.23 0.00 0.19 0.04 4.05 -1.19 0.11 114.93 118.36 2f3r h MET 150 Ca -0.02 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 59.10 2f3r h MET 150 Cb 1.27 0.00 0.03 0.00 -0.80 0.00 0.00 31.60 32.10 2f3r h MET 150 CO 0.12 0.37 -1.26 0.00 0.23 0.00 0.00 176.91 176.37 2f3r h ALA 151 N 1.63 -0.11 -0.53 0.39 0.00 -1.22 -2.66 119.26 116.76 2f3r h ALA 151 Ca -0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 54.91 53.99 2f3r h ALA 151 Cb 0.82 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2f3r h ALA 151 CO 0.05 0.61 -0.13 1.96 0.00 0.00 0.00 179.25 181.74 2f3r h GLN 152 N 0.06 1.03 -0.21 0.00 4.20 -1.32 -2.34 115.11 116.53 2f3r h GLN 152 Ca -0.21 -0.39 -0.05 0.00 0.06 0.00 0.00 58.65 58.06 2f3r h GLN 152 Cb 1.98 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.68 2f3r h GLN 152 CO 0.24 1.08 -0.08 0.00 -0.67 0.00 0.00 178.83 179.40 2f3r h ALA 153 N 0.92 1.48 0.04 3.87 0.00 -0.84 -1.11 119.26 123.63 2f3r h ALA 153 Ca 0.14 -0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 2f3r h ALA 153 Cb 0.71 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2f3r h ALA 153 CO 0.05 0.37 -1.01 0.28 0.00 0.00 0.00 179.25 178.94 2f3r h VAL 154 N 0.31 1.50 0.22 0.00 2.07 -1.27 -2.74 116.25 116.34 2f3r h VAL 154 Ca 0.06 -2.79 -0.01 0.00 0.82 0.00 0.00 66.70 64.79 2f3r h VAL 154 Cb 0.34 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2f3r h VAL 154 CO 0.02 0.82 -0.11 0.00 0.02 0.00 0.00 177.57 178.32 2f3r h ALA 155 N 0.80 -0.30 -0.74 1.67 0.00 -1.03 -2.89 119.26 116.77 2f3r h ALA 155 Ca -0.08 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 54.84 2f3r h ALA 155 Cb 1.69 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 19.49 2f3r h ALA 155 CO 0.16 -0.55 0.23 1.49 0.00 0.00 0.00 179.25 180.58 2f3r h GLU 156 N -0.53 0.33 0.00 0.00 4.57 -1.26 0.19 114.58 117.88 2f3r h GLU 156 Ca -0.03 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2f3r h GLU 156 Cb 0.39 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2f3r h GLU 156 CO 0.05 0.22 0.00 0.52 -1.18 0.00 0.00 179.01 178.62 2f3r h MET 157 N 0.34 0.00 0.00 1.92 2.86 -1.36 -2.53 114.93 116.16 2f3r h MET 157 Ca 0.42 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 58.02 2f3r h MET 157 Cb 0.69 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 2f3r h MET 157 CO -0.47 0.00 -0.20 0.77 1.06 0.00 0.00 176.91 178.08 2f3r h SER 158 N 0.00 0.00 -0.45 1.22 0.02 -0.40 -2.92 113.55 111.02 2f3r h SER 158 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2f3r h SER 158 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2f3r h SER 158 CO 0.00 0.20 0.00 1.41 -1.14 0.00 0.00 176.83 177.30 2f3r n HIS 159 N -3.99 1.03 -0.31 3.45 -0.00 -0.95 -4.54 115.22 109.91 2f3r n HIS 159 Ca -0.02 -0.41 -0.04 0.00 -0.00 0.00 0.00 57.72 57.25 2f3r n HIS 159 Cb 0.28 -0.18 0.08 0.00 -0.00 0.00 0.00 29.99 30.16 2f3r n HIS 159 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.34 176.44 2f3r h TYR 160 N 2.81 1.07 0.00 4.41 -0.00 -1.69 -2.91 116.97 120.66 2f3r h TYR 160 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.74 2f3r h TYR 160 Cb 1.07 -0.36 0.00 0.00 0.00 0.00 0.00 36.73 37.45 2f3r h TYR 160 CO 0.53 0.69 0.00 0.00 -0.00 0.00 0.00 178.16 179.38 2f3r n ALA 161 N -2.34 1.11 0.54 0.10 0.00 -1.26 -1.66 120.51 117.00 2f3r n ALA 161 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.65 2f3r n ALA 161 Cb 0.03 -1.00 0.23 0.00 0.00 0.00 0.00 19.45 18.72 2f3r n ALA 161 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2f3r h GLU 162 N 0.00 0.00 -6.57 0.00 5.08 -1.88 -3.47 114.58 107.74 2f3r h GLU 162 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 2f3r h GLU 162 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2f3r h GLU 162 CO 0.00 0.00 -0.08 0.71 -1.00 0.00 0.00 179.01 178.64 2f3r s TYR 163 N -3.16 3.47 0.17 4.33 1.51 -0.66 -5.01 117.35 118.00 2f3r s TYR 163 Ca 0.07 0.75 -0.04 0.00 -1.01 0.00 0.00 57.07 56.84 2f3r s TYR 163 Cb 0.12 -2.19 0.04 0.00 -0.11 0.00 0.00 41.96 39.82 2f3r s TYR 163 CO 0.68 0.11 1.44 -0.44 -1.11 0.00 0.00 175.55 176.23 2f3r h ASP 164 N 1.61 0.61 -3.70 2.29 3.32 -1.66 -3.46 116.42 115.43 2f3r h ASP 164 Ca -0.48 -0.37 -0.53 0.00 0.02 0.00 0.00 57.03 55.67 2f3r h ASP 164 Cb 1.19 -0.18 -0.19 0.00 0.22 0.00 0.00 39.33 40.37 2f3r h ASP 164 CO 0.66 1.11 -0.79 -0.31 -1.72 0.00 0.00 179.24 178.19 2f3r s TYR 165 N -3.78 1.81 -0.08 4.55 1.51 -0.33 -5.03 117.35 115.99 2f3r s TYR 165 Ca -0.07 -0.46 -0.00 0.00 -1.01 0.00 0.00 57.07 55.53 2f3r s TYR 165 Cb 0.10 -0.92 0.02 0.00 -0.11 0.00 0.00 41.96 41.06 2f3r s TYR 165 CO 0.85 0.30 -0.05 -1.17 -1.11 0.00 0.00 175.55 174.37 2f3r s LEU 166 N -2.49 1.08 -0.20 -1.29 2.96 -1.26 -0.30 118.68 117.18 2f3r s LEU 166 Ca 0.14 -0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 53.82 2f3r s LEU 166 Cb -0.07 -0.66 0.00 0.00 0.50 0.00 0.00 46.19 45.97 2f3r s LEU 166 CO 0.06 -0.11 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.22 2f3r s ILE 167 N 1.55 2.74 -0.52 6.68 1.01 -0.13 -4.98 121.20 127.55 2f3r s ILE 167 Ca 0.00 -0.71 -0.19 0.00 0.00 0.00 0.00 60.65 59.76 2f3r s ILE 167 Cb -0.13 -2.21 0.07 0.00 0.01 0.00 0.00 42.46 40.20 2f3r s ILE 167 CO -0.05 0.48 0.61 -0.69 0.00 0.00 0.00 174.94 175.30 2f3r s VAL 168 N 1.32 4.91 -1.41 2.92 1.01 -1.26 -1.83 120.40 126.06 2f3r s VAL 168 Ca 0.04 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 2f3r s VAL 168 Cb -0.14 -4.32 0.04 0.00 0.00 0.00 0.00 36.38 31.97 2f3r s VAL 168 CO -0.07 -0.84 2.12 -3.20 0.00 0.00 0.00 175.10 173.11 2f3r n ASN 169 N 6.08 4.06 0.00 3.32 5.15 -0.85 -4.68 115.26 128.34 2f3r n ASN 169 Ca -0.08 -2.85 0.00 0.00 -0.60 0.00 0.00 54.58 51.05 2f3r n ASN 169 Cb 0.44 -1.67 0.00 0.00 -0.53 0.00 0.00 39.78 38.03 2f3r n ASN 169 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2f3r n ASP 170 N 6.66 0.00 -4.63 1.20 -0.08 -1.26 -4.34 116.55 114.10 2f3r n ASP 170 Ca 0.51 0.04 -0.43 0.00 -1.51 0.00 0.00 54.79 53.41 2f3r n ASP 170 Cb 0.41 -0.05 -0.03 0.00 2.34 0.00 0.00 41.12 43.79 2f3r n ASP 170 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2f3r s ASP 171 N -1.21 6.83 0.08 1.67 2.15 -1.26 -4.96 116.67 119.96 2f3r s ASP 171 Ca 0.00 0.87 -0.17 0.00 0.43 0.00 0.00 52.55 53.69 2f3r s ASP 171 Cb 0.00 -2.51 -0.05 0.00 -0.30 0.00 0.00 42.92 40.06 2f3r s ASP 171 CO 0.00 -0.87 1.28 0.15 -0.17 0.00 0.00 175.17 175.56 2f3r h PHE 172 N 8.25 -0.95 -0.90 -5.34 3.57 -1.97 -1.81 116.94 117.79 2f3r h PHE 172 Ca -0.22 0.06 0.25 0.00 3.53 0.00 0.00 57.97 61.59 2f3r h PHE 172 Cb 1.07 0.46 -0.14 0.00 2.79 0.00 0.00 35.95 40.13 2f3r h PHE 172 CO 0.84 -0.22 0.29 0.22 -2.23 0.00 0.00 178.31 177.20 2f3r h ASP 173 N -0.09 0.08 -0.60 0.41 -0.00 -1.99 0.12 116.42 114.35 2f3r h ASP 173 Ca 0.06 0.20 -0.01 0.00 -0.00 0.00 0.00 57.03 57.29 2f3r h ASP 173 Cb 0.26 0.25 -0.03 0.00 -0.00 0.00 0.00 39.33 39.81 2f3r h ASP 173 CO -0.41 -0.16 0.35 0.74 -0.00 0.00 0.00 179.24 179.76 2f3r h THR 174 N 0.22 1.18 0.00 2.25 2.02 -1.76 -1.13 112.91 115.70 2f3r h THR 174 Ca 0.58 -0.43 -0.11 0.00 0.77 0.00 0.00 66.41 67.23 2f3r h THR 174 Cb 1.21 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 2f3r h THR 174 CO -0.65 0.19 -0.53 0.00 0.37 0.00 0.00 175.52 174.89 2f3r h ALA 175 N 1.17 1.11 -0.25 6.16 0.00 -0.33 -0.30 119.26 126.82 2f3r h ALA 175 Ca 0.21 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 2f3r h ALA 175 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2f3r h ALA 175 CO -0.04 0.67 -0.41 1.25 0.00 0.00 0.00 179.25 180.72 2f3r h LEU 176 N 0.00 0.62 -0.25 0.00 5.85 -0.65 -0.78 115.31 120.10 2f3r h LEU 176 Ca -0.01 -0.28 -0.21 0.00 0.84 0.00 0.00 57.88 58.23 2f3r h LEU 176 Cb 0.95 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.81 2f3r h LEU 176 CO 0.07 0.95 -0.70 0.74 -0.34 0.00 0.00 178.44 179.16 2f3r h THR 177 N 0.48 1.29 -0.87 1.05 2.02 -0.85 -1.88 112.91 114.16 2f3r h THR 177 Ca 0.04 -1.92 0.02 0.00 0.77 0.00 0.00 66.41 65.31 2f3r h THR 177 Cb 0.91 1.90 -0.05 0.00 -1.74 0.00 0.00 68.15 69.17 2f3r h THR 177 CO 0.08 0.61 0.57 0.44 0.37 0.00 0.00 175.52 177.59 2f3r h ASP 178 N 0.53 0.97 0.21 4.18 3.32 -0.78 0.53 116.42 125.38 2f3r h ASP 178 Ca -0.03 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 56.89 2f3r h ASP 178 Cb 1.31 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 2f3r h ASP 178 CO 0.14 0.69 -0.41 0.25 -1.72 0.00 0.00 179.24 178.19 2f3r h LEU 179 N 1.14 0.28 -0.06 1.55 5.85 -1.06 -1.75 115.31 121.26 2f3r h LEU 179 Ca 0.33 -0.12 -0.19 0.00 0.84 0.00 0.00 57.88 58.74 2f3r h LEU 179 Cb -0.08 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 40.88 2f3r h LEU 179 CO -0.09 0.67 -0.69 0.11 -0.34 0.00 0.00 178.44 178.10 2f3r h LYS 180 N 0.22 0.58 -0.86 1.25 1.57 -0.49 -3.15 116.57 115.69 2f3r h LYS 180 Ca 0.02 -0.54 0.09 0.00 -1.87 0.00 0.00 60.65 58.35 2f3r h LYS 180 Cb 0.83 0.13 -0.06 0.00 0.08 0.00 0.00 32.23 33.21 2f3r h LYS 180 CO 0.07 1.16 0.56 1.15 -0.57 0.00 0.00 179.45 181.82 2f3r h THR 181 N 0.19 0.98 -0.18 -0.16 2.02 0.28 -1.83 112.91 114.22 2f3r h THR 181 Ca -0.07 -0.30 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 2f3r h THR 181 Cb 1.35 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2f3r h THR 181 CO 0.14 0.16 -0.11 0.40 0.37 0.00 0.00 175.52 176.47 2f3r h ILE 182 N 0.87 1.32 -0.23 3.11 2.04 -1.37 -1.92 117.51 121.34 2f3r h ILE 182 Ca 0.39 -1.21 0.04 0.00 1.00 0.00 0.00 64.86 65.09 2f3r h ILE 182 Cb 0.37 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 2f3r h ILE 182 CO -0.16 0.36 -0.02 0.40 0.00 0.00 0.00 178.15 178.73 2f3r h ILE 183 N 0.06 0.82 -0.42 -0.67 1.08 -1.39 -1.83 117.51 115.15 2f3r h ILE 183 Ca 0.04 -0.02 -0.03 0.00 -0.39 0.00 0.00 64.86 64.46 2f3r h ILE 183 Cb 0.62 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 35.11 2f3r h ILE 183 CO 0.03 0.01 0.16 -0.09 -0.69 0.00 0.00 178.15 177.57 2f3r h ARG 184 N 0.05 0.64 -0.20 2.37 2.43 -1.37 -2.63 114.38 115.67 2f3r h ARG 184 Ca 0.11 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2f3r h ARG 184 Cb 0.15 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2f3r h ARG 184 CO -0.20 0.60 0.00 0.00 -1.51 0.00 0.00 179.97 178.87 2f3r h ALA 185 N 1.01 1.65 -0.15 2.80 0.00 -1.17 -1.80 119.26 121.60 2f3r h ALA 185 Ca 0.14 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2f3r h ALA 185 Cb 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2f3r h ALA 185 CO -0.01 0.27 -0.47 0.93 0.00 0.00 0.00 179.25 179.96 2f3r h GLU 186 N 0.28 0.37 -0.00 0.00 4.39 -1.08 -2.58 114.58 115.96 2f3r h GLU 186 Ca 0.07 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.56 2f3r h GLU 186 Cb 0.19 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2f3r h GLU 186 CO 0.00 0.77 -0.00 0.54 -1.16 0.00 0.00 179.01 179.16 2f3r n ARG 187 N -3.98 0.43 0.00 2.33 1.74 -0.72 -2.72 116.66 113.74 2f3r n ARG 187 Ca -0.02 -0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.18 2f3r n ARG 187 Cb 0.54 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.67 2f3r n ARG 187 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2f3r n LEU 188 N -1.28 1.03 -4.72 0.55 4.77 -0.97 -4.28 117.00 112.09 2f3r n LEU 188 Ca 0.14 -0.30 -0.37 0.00 -0.03 0.00 0.00 56.01 55.45 2f3r n LEU 188 Cb 0.24 -0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 2f3r n LEU 188 CO 0.23 0.21 0.88 0.54 -1.33 0.00 0.00 177.39 177.92 2f3r n ARG 189 N -0.94 1.09 0.08 3.23 5.12 -1.10 -4.75 116.66 119.38 2f3r n ARG 189 Ca 0.08 0.43 -0.13 0.00 -1.93 0.00 0.00 57.85 56.30 2f3r n ARG 189 Cb 0.36 -2.51 -0.06 0.00 -1.16 0.00 0.00 32.46 29.10 2f3r n ARG 189 CO 0.00 0.00 0.00 1.98 -1.93 0.00 0.00 177.63 177.68 2f3r h MET 190 N 0.51 -0.51 -0.77 5.56 4.05 -1.92 -1.25 114.93 120.61 2f3r h MET 190 Ca -0.51 0.03 0.16 0.00 -0.28 0.00 0.00 59.70 59.11 2f3r h MET 190 Cb 1.34 0.12 -0.14 0.00 -0.80 0.00 0.00 31.60 32.11 2f3r h MET 190 CO 0.53 -0.34 -0.14 0.77 0.23 0.00 0.00 176.91 177.95 2f3r h SER 191 N -0.53 -0.63 0.59 1.39 0.02 -1.96 0.61 113.55 113.04 2f3r h SER 191 Ca 0.05 0.22 -0.19 0.00 -0.84 0.00 0.00 61.79 61.03 2f3r h SER 191 Cb 0.60 0.45 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 2f3r h SER 191 CO -0.26 -0.24 -0.86 0.03 -1.14 0.00 0.00 176.83 174.35 2f3r h ARG 192 N 0.02 0.18 -0.20 3.45 3.08 -1.84 -3.28 114.38 115.79 2f3r h ARG 192 Ca 0.38 -0.20 -0.20 0.00 0.07 0.00 0.00 59.98 60.04 2f3r h ARG 192 Cb 0.61 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2f3r h ARG 192 CO -0.77 0.93 -0.67 1.96 -1.07 0.00 0.00 179.97 180.36 2f3r h GLN 193 N 0.10 0.78 -0.04 0.04 1.08 0.10 -1.93 115.11 115.23 2f3r h GLN 193 Ca -0.04 -0.57 0.01 0.00 -1.45 0.00 0.00 58.65 56.61 2f3r h GLN 193 Cb 1.49 0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 29.01 2f3r h GLN 193 CO 0.13 1.19 0.06 0.87 -0.95 0.00 0.00 178.83 180.13 2f3r h LYS 194 N 0.56 0.00 0.03 1.46 1.57 0.08 -0.40 116.57 119.88 2f3r h LYS 194 Ca -0.02 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.50 2f3r h LYS 194 Cb 1.28 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.56 2f3r h LYS 194 CO 0.14 0.00 -1.40 0.37 -0.57 0.00 0.00 179.45 177.98 2f3r h GLN 195 N 0.00 0.07 -0.65 3.15 5.75 -1.58 -3.05 115.11 118.79 2f3r h GLN 195 Ca 0.02 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 58.37 2f3r h GLN 195 Cb 0.15 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 2f3r h GLN 195 CO -0.00 1.06 0.30 -0.09 -2.65 0.00 0.00 178.83 177.45 2f3r h ARG 196 N -0.73 0.93 -0.43 1.69 9.65 -1.09 -2.97 114.38 121.44 2f3r h ARG 196 Ca -0.36 -0.13 -0.21 0.00 -1.10 0.00 0.00 59.98 58.18 2f3r h ARG 196 Cb 1.49 -0.17 -0.13 0.00 -1.39 0.00 0.00 29.97 29.77 2f3r h ARG 196 CO -0.13 0.73 0.02 0.72 2.80 0.00 0.00 179.97 184.12 2f3r n HIS 197 N -4.33 1.35 -0.17 2.20 8.25 -0.18 -4.77 115.22 117.56 2f3r n HIS 197 Ca 0.06 -1.58 -0.06 0.00 -0.26 0.00 0.00 57.72 55.88 2f3r n HIS 197 Cb 0.14 -0.54 -0.00 0.00 1.12 0.00 0.00 29.99 30.71 2f3r n HIS 197 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 2f3r h ASP 198 N 1.09 -1.14 0.12 0.41 1.82 -1.40 -1.97 116.42 115.34 2f3r h ASP 198 Ca 0.26 0.21 0.01 0.00 -0.39 0.00 0.00 57.03 57.12 2f3r h ASP 198 Cb 1.81 0.55 -0.03 0.00 0.68 0.00 0.00 39.33 42.34 2f3r h ASP 198 CO 0.47 -0.31 -0.37 0.00 -1.61 0.00 0.00 179.24 177.43 2f3r h ALA 199 N 0.90 -0.89 -0.59 -0.78 0.00 -1.86 -2.10 119.26 113.93 2f3r h ALA 199 Ca 0.21 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.15 2f3r h ALA 199 Cb 0.55 0.74 -0.12 0.00 0.00 0.00 0.00 17.79 18.96 2f3r h ALA 199 CO -0.63 -0.97 -0.21 1.25 0.00 0.00 0.00 179.25 178.69 2f3r h LEU 200 N -0.55 -0.75 -0.93 0.00 5.85 -1.88 0.17 115.31 117.22 2f3r h LEU 200 Ca -0.01 0.20 0.11 0.00 0.84 0.00 0.00 57.88 59.02 2f3r h LEU 200 Cb 0.54 0.44 -0.08 0.00 0.37 0.00 0.00 40.66 41.93 2f3r h LEU 200 CO -0.18 -0.24 0.56 0.40 -0.34 0.00 0.00 178.44 178.64 2f3r h ILE 201 N -0.06 0.91 0.38 4.05 2.04 -1.21 -0.61 117.51 123.01 2f3r h ILE 201 Ca 0.28 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 2f3r h ILE 201 Cb 0.49 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2f3r h ILE 201 CO -0.64 0.17 -0.35 0.28 0.00 0.00 0.00 178.15 177.60 2f3r h SER 202 N 0.91 -0.94 -0.89 1.72 0.02 -0.01 -2.07 113.55 112.29 2f3r h SER 202 Ca 0.45 0.08 0.12 0.00 -0.84 0.00 0.00 61.79 61.61 2f3r h SER 202 Cb 0.43 0.31 -0.09 0.00 0.14 0.00 0.00 62.40 63.20 2f3r h SER 202 CO -0.26 -0.50 0.52 0.11 -1.14 0.00 0.00 176.83 175.56 2f3r h LYS 203 N -0.74 0.77 0.00 3.45 1.79 -0.56 -0.76 116.57 120.51 2f3r h LYS 203 Ca -0.03 -0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.29 2f3r h LYS 203 Cb 0.66 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 2f3r h LYS 203 CO -0.05 0.51 -0.50 -0.07 -1.08 0.00 0.00 179.45 178.27 2f3r h LEU 204 N 0.79 0.00 -2.18 2.94 3.38 -0.84 -3.22 115.31 116.17 2f3r h LEU 204 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 2f3r h LEU 204 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2f3r h LEU 204 CO -0.30 0.50 0.00 0.18 0.09 0.00 0.00 178.44 178.91 2f3r n LEU 205 N -3.80 2.69 -0.34 1.67 4.77 -0.80 -5.10 117.00 116.09 2f3r n LEU 205 Ca -0.01 -1.48 0.04 0.00 -0.03 0.00 0.00 56.01 54.53 2f3r n LEU 205 Cb 0.54 -0.15 0.04 0.00 -2.33 0.00 0.00 43.42 41.51 2f3r n LEU 205 CO 0.40 0.59 0.38 0.00 -1.33 0.00 0.00 177.39 177.44