#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 3.52 0.85 0.00 0.74 -1.26 -3.23 119.66 120.28 2f3r s GLN 3 Ca 0.00 -0.42 -0.12 0.00 0.05 0.00 0.00 55.36 54.88 2f3r s GLN 3 Cb 0.00 -2.97 0.10 0.00 1.10 0.00 0.00 33.01 31.24 2f3r s GLN 3 CO 0.00 0.43 1.11 0.20 -0.55 0.00 0.00 175.29 176.47 2f3r s GLY 4 N -0.11 1.61 0.16 2.59 0.00 -0.95 -4.90 107.32 105.71 2f3r s GLY 4 Ca 0.05 -0.28 -0.13 0.00 0.00 0.00 0.00 44.72 44.36 2f3r s GLY 4 CO 0.02 0.20 0.54 -1.59 0.00 0.00 0.00 173.10 172.26 2f3r s THR 5 N -3.15 4.89 -0.28 0.90 2.01 -1.26 -4.88 115.64 113.86 2f3r s THR 5 Ca 0.62 0.72 -0.09 0.00 0.31 0.00 0.00 61.69 63.26 2f3r s THR 5 Cb -0.15 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 2f3r s THR 5 CO 0.54 0.19 0.13 -0.22 -0.69 0.00 0.00 174.62 174.57 2f3r s LEU 6 N -2.12 3.86 -0.16 4.42 2.96 -1.26 -1.04 118.68 125.35 2f3r s LEU 6 Ca 0.39 -0.33 -0.07 0.00 -0.22 0.00 0.00 54.13 53.90 2f3r s LEU 6 Cb -0.14 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 2f3r s LEU 6 CO 0.19 -0.12 0.10 -0.31 -1.32 0.00 0.00 176.35 174.90 2f3r s TYR 7 N 1.64 3.39 -0.21 5.38 1.51 0.20 -1.62 117.35 127.63 2f3r s TYR 7 Ca 0.06 0.30 -0.06 0.00 -1.01 0.00 0.00 57.07 56.35 2f3r s TYR 7 Cb -0.16 -2.02 -0.03 0.00 -0.11 0.00 0.00 41.96 39.64 2f3r s TYR 7 CO 0.06 0.41 0.02 0.42 -1.11 0.00 0.00 175.55 175.35 2f3r s ILE 8 N -0.21 4.10 -0.10 2.71 1.01 0.56 -0.16 121.20 129.11 2f3r s ILE 8 Ca 0.09 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.52 2f3r s ILE 8 Cb -0.12 -2.87 0.01 0.00 0.01 0.00 0.00 42.46 39.49 2f3r s ILE 8 CO 0.01 0.40 -0.20 -0.69 0.00 0.00 0.00 174.94 174.47 2f3r s VAL 9 N 1.14 1.78 0.07 2.92 1.01 -0.73 0.17 120.40 126.76 2f3r s VAL 9 Ca 0.03 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2f3r s VAL 9 Cb -0.14 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2f3r s VAL 9 CO 0.02 0.50 -0.05 -0.44 0.00 0.00 0.00 175.10 175.13 2f3r s SER 10 N 0.62 0.81 0.00 3.32 0.01 -0.20 -2.85 113.70 115.42 2f3r s SER 10 Ca -0.13 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.14 2f3r s SER 10 Cb -0.16 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.21 2f3r s SER 10 CO 0.04 -0.52 0.00 0.00 0.41 0.00 0.00 173.24 173.17 2f3r n ALA 11 N 0.09 0.00 -1.81 1.44 0.00 -1.26 -0.34 120.51 118.63 2f3r n ALA 11 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.98 2f3r n ALA 11 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 2f3r n ALA 11 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2f3r s PRO 12 N -2.00 3.88 0.20 0.00 0.04 -1.26 -4.95 135.00 130.91 2f3r s PRO 12 Ca 0.00 1.05 -0.32 0.00 0.04 0.00 0.00 61.00 61.77 2f3r s PRO 12 Cb 0.00 -2.12 -0.14 0.00 0.04 0.00 0.00 34.50 32.28 2f3r s PRO 12 CO 0.00 -0.33 1.37 0.43 0.04 0.00 0.00 177.00 178.51 2f3r n SER 13 N -1.46 2.41 0.00 6.66 7.64 -1.26 -2.13 113.62 125.48 2f3r n SER 13 Ca 0.07 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.08 2f3r n SER 13 Cb 0.54 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 2f3r n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2f3r n GLY 14 N 2.32 0.75 0.07 0.23 0.00 -1.26 -4.80 105.19 102.49 2f3r n GLY 14 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.83 2.52 -0.23 4.61 0.00 -0.91 -4.72 120.51 120.96 2f3r n ALA 15 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2f3r n ALA 15 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 1.36 0.88 0.46 0.00 0.00 -1.26 -4.72 105.19 101.91 2f3r n GLY 16 Ca 0.05 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 2.15 -0.59 0.00 1.61 3.64 -1.90 -2.07 116.57 119.42 2f3r h LYS 17 Ca 0.00 0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 2f3r h LYS 17 Cb 0.00 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2f3r h LYS 17 CO 0.00 -0.39 -0.29 0.66 -2.27 0.00 0.00 179.45 177.16 2f3r h SER 18 N -0.61 0.00 1.07 4.20 4.64 -1.99 -1.69 113.55 119.17 2f3r h SER 18 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2f3r h SER 18 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2f3r h SER 18 CO -0.40 0.29 -0.06 -1.20 -0.87 0.00 0.00 176.83 174.60 2f3r n SER 19 N -3.86 0.25 0.04 4.97 7.64 -1.08 -2.33 113.62 119.25 2f3r n SER 19 Ca -0.02 0.45 -0.12 0.00 1.01 0.00 0.00 58.87 60.19 2f3r n SER 19 Cb 0.37 -0.49 -0.14 0.00 -1.01 0.00 0.00 64.21 62.95 2f3r n SER 19 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2f3r h LEU 20 N 0.00 0.20 -0.09 -3.43 3.38 -0.60 -3.22 115.31 111.56 2f3r h LEU 20 Ca 0.00 -0.28 -0.22 0.00 0.09 0.00 0.00 57.88 57.46 2f3r h LEU 20 Cb 0.56 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.26 2f3r h LEU 20 CO 0.00 1.24 -0.82 0.40 0.09 0.00 0.00 178.44 179.35 2f3r h ILE 21 N 0.04 1.30 -0.24 1.22 2.04 -1.35 -2.71 117.51 117.80 2f3r h ILE 21 Ca -0.19 -2.05 -0.07 0.00 1.00 0.00 0.00 64.86 63.55 2f3r h ILE 21 Cb 1.95 2.17 -0.01 0.00 -0.74 0.00 0.00 36.82 40.19 2f3r h ILE 21 CO 0.14 0.64 -0.16 1.56 0.00 0.00 0.00 178.15 180.32 2f3r h GLN 22 N 0.40 0.41 -0.22 2.37 4.20 -1.60 0.76 115.11 121.43 2f3r h GLN 22 Ca -0.08 -0.12 -0.14 0.00 0.06 0.00 0.00 58.65 58.38 2f3r h GLN 22 Cb 1.46 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.19 2f3r h GLN 22 CO 0.17 0.56 -0.44 0.00 -0.67 0.00 0.00 178.83 178.45 2f3r h ALA 23 N 1.46 0.83 0.36 3.87 0.00 -1.56 -2.34 119.26 121.88 2f3r h ALA 23 Ca 0.07 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2f3r h ALA 23 Cb 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2f3r h ALA 23 CO 0.03 0.65 -0.17 1.25 0.00 0.00 0.00 179.25 181.01 2f3r h LEU 24 N 0.43 -0.41 -1.55 0.00 5.85 -1.05 -3.24 115.31 115.35 2f3r h LEU 24 Ca 0.03 -0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.71 2f3r h LEU 24 Cb 0.95 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 2f3r h LEU 24 CO 0.08 -0.04 0.44 -0.07 -0.34 0.00 0.00 178.44 178.51 2f3r h LEU 25 N -0.82 0.46 0.00 2.25 3.38 -0.85 0.84 115.31 120.58 2f3r h LEU 25 Ca -0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2f3r h LEU 25 Cb 0.53 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2f3r h LEU 25 CO 0.08 0.27 0.00 0.29 0.09 0.00 0.00 178.44 179.17 2f3r n LYS 26 N -4.48 0.33 -0.13 1.13 5.02 -0.89 -1.30 118.16 117.85 2f3r n LYS 26 Ca 0.11 0.09 0.07 0.00 -2.02 0.00 0.00 58.31 56.55 2f3r n LYS 26 Cb 0.37 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 34.01 2f3r n LYS 26 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2f3r n THR 27 N -1.17 0.61 -3.89 -0.18 5.66 0.29 -4.99 114.28 110.60 2f3r n THR 27 Ca 0.09 -0.81 -0.12 0.00 -3.05 0.00 0.00 64.05 60.17 2f3r n THR 27 Cb 0.10 0.80 -0.14 0.00 -1.55 0.00 0.00 70.33 69.54 2f3r n THR 27 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2f3r s GLN 28 N -1.05 0.05 0.65 1.09 -0.21 -0.42 -5.11 119.66 114.67 2f3r s GLN 28 Ca 0.23 -0.06 -0.12 0.00 0.02 0.00 0.00 55.36 55.43 2f3r s GLN 28 Cb 0.13 -0.01 -0.02 0.00 1.00 0.00 0.00 33.01 34.12 2f3r s GLN 28 CO 0.18 0.00 1.05 -1.25 -2.12 0.00 0.00 175.29 173.15 2f3r s PRO 29 N -0.14 3.23 0.58 2.91 0.04 -1.26 -4.80 135.00 135.56 2f3r s PRO 29 Ca -0.01 0.92 0.31 0.00 0.04 0.00 0.00 61.00 62.26 2f3r s PRO 29 Cb -0.01 -2.03 1.78 0.00 0.04 0.00 0.00 34.50 34.28 2f3r s PRO 29 CO -0.00 -0.87 2.21 -0.07 0.04 0.00 0.00 177.00 178.31 2f3r h LEU 30 N -0.39 0.00 -0.01 -3.56 3.38 -1.95 -1.51 115.31 111.28 2f3r h LEU 30 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2f3r h LEU 30 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2f3r h LEU 30 CO 0.59 0.04 0.00 0.00 0.09 0.00 0.00 178.44 179.15 2f3r n TYR 31 N -3.66 0.79 -0.06 1.13 0.18 -1.26 -4.22 117.16 110.05 2f3r n TYR 31 Ca -0.03 0.23 -0.06 0.00 1.88 0.00 0.00 57.90 59.92 2f3r n TYR 31 Cb 0.13 -0.87 -0.02 0.00 -0.38 0.00 0.00 39.34 38.20 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 -2.14 1.40 -4.22 9.48 8.00 -0.66 -4.35 116.55 124.06 2f3r n ASP 32 Ca 0.06 0.24 -0.20 0.00 0.71 0.00 0.00 54.79 55.60 2f3r n ASP 32 Cb 0.41 -0.67 -0.12 0.00 -0.02 0.00 0.00 41.12 40.72 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 -2.37 1.35 0.27 -3.53 2.01 -0.68 -0.94 115.64 111.75 2f3r s THR 33 Ca -0.21 -1.47 -0.13 0.00 0.31 0.00 0.00 61.69 60.19 2f3r s THR 33 Cb 0.03 -1.32 0.00 0.00 0.01 0.00 0.00 72.50 71.22 2f3r s THR 33 CO 0.31 -0.22 0.52 -1.10 -0.69 0.00 0.00 174.62 173.44 2f3r s GLN 34 N -2.00 1.64 0.01 4.92 -0.21 -0.85 -4.12 119.66 119.06 2f3r s GLN 34 Ca 0.03 -1.28 0.07 0.00 0.02 0.00 0.00 55.36 54.20 2f3r s GLN 34 Cb -0.09 0.49 -0.02 0.00 1.00 0.00 0.00 33.01 34.39 2f3r s GLN 34 CO 0.03 -0.70 -0.22 0.54 -2.12 0.00 0.00 175.29 172.82 2f3r s VAL 35 N -3.83 1.78 0.40 1.09 0.11 -1.26 -1.12 120.40 117.58 2f3r s VAL 35 Ca 0.22 -1.10 -0.24 0.00 -2.93 0.00 0.00 61.98 57.93 2f3r s VAL 35 Cb -0.01 -1.51 -0.09 0.00 -1.53 0.00 0.00 36.38 33.23 2f3r s VAL 35 CO 0.10 0.38 1.03 -0.94 -3.33 0.00 0.00 175.10 172.34 2f3r s SER 36 N -0.86 6.79 -0.45 3.54 1.04 -0.26 -4.88 113.70 118.62 2f3r s SER 36 Ca 0.09 1.98 -0.15 0.00 0.48 0.00 0.00 55.95 58.35 2f3r s SER 36 Cb -0.09 -2.58 0.06 0.00 0.10 0.00 0.00 66.02 63.51 2f3r s SER 36 CO 0.01 -0.47 0.36 -0.69 0.98 0.00 0.00 173.24 173.43 2f3r s VAL 37 N -1.73 5.13 0.95 5.02 1.01 -1.26 -4.81 120.40 124.71 2f3r s VAL 37 Ca 0.58 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 2f3r s VAL 37 Cb -0.20 -4.02 0.16 0.00 0.00 0.00 0.00 36.38 32.32 2f3r s VAL 37 CO 0.25 -0.50 1.11 -0.44 0.00 0.00 0.00 175.10 175.52 2f3r s SER 38 N 2.33 3.06 0.06 3.32 0.01 -1.26 -4.75 113.70 116.47 2f3r s SER 38 Ca 0.04 1.13 0.01 0.00 1.31 0.00 0.00 55.95 58.45 2f3r s SER 38 Cb -0.23 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 2f3r s SER 38 CO 0.07 -2.85 0.13 -1.00 0.41 0.00 0.00 173.24 170.00 2f3r s HIS 39 N -3.08 3.35 0.06 2.43 3.76 0.86 -1.46 115.29 121.22 2f3r s HIS 39 Ca 0.64 0.17 -0.23 0.00 -0.15 0.00 0.00 55.06 55.49 2f3r s HIS 39 Cb -0.17 -1.70 0.06 0.00 1.11 0.00 0.00 32.58 31.88 2f3r s HIS 39 CO 0.56 0.56 0.55 -0.08 -0.85 0.00 0.00 174.74 175.48 2f3r s THR 40 N -1.41 0.02 -1.58 1.30 -1.32 -0.80 -1.46 115.64 110.39 2f3r s THR 40 Ca 0.31 -0.17 0.18 0.00 -1.21 0.00 0.00 61.69 60.79 2f3r s THR 40 Cb -0.12 -0.99 -0.02 0.00 -1.51 0.00 0.00 72.50 69.85 2f3r s THR 40 CO 0.23 -0.09 0.91 0.35 -2.21 0.00 0.00 174.62 173.80 2f3r n THR 41 N 0.27 0.00 -2.31 5.08 -2.24 -0.97 -0.39 114.28 113.71 2f3r n THR 41 Ca -0.18 -0.30 -0.34 0.00 -2.27 0.00 0.00 64.05 60.96 2f3r n THR 41 Cb 0.61 1.20 -0.01 0.00 -2.10 0.00 0.00 70.33 70.03 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 -2.08 3.51 0.36 -0.78 1.70 -1.26 -4.87 118.95 115.52 2f3r s ARG 42 Ca 0.14 1.41 -0.28 0.00 -0.47 0.00 0.00 55.73 56.53 2f3r s ARG 42 Cb 0.14 -2.05 -0.10 0.00 -0.57 0.00 0.00 34.95 32.38 2f3r s ARG 42 CO 0.46 -0.68 1.37 -0.65 -1.08 0.00 0.00 175.30 174.72 2f3r s GLN 43 N -3.46 4.18 0.24 3.89 -1.52 -1.26 -4.88 119.66 116.85 2f3r s GLN 43 Ca 0.68 2.33 -0.30 0.00 -1.95 0.00 0.00 55.36 56.12 2f3r s GLN 43 Cb -0.19 -2.96 -0.10 0.00 -0.22 0.00 0.00 33.01 29.54 2f3r s GLN 43 CO 0.27 -0.38 1.37 -2.14 -0.25 0.00 0.00 175.29 174.15 2f3r s PRO 44 N -2.00 4.33 0.38 2.91 0.02 -1.26 -5.00 135.00 134.38 2f3r s PRO 44 Ca 0.52 2.19 -0.12 0.00 0.02 0.00 0.00 61.00 63.61 2f3r s PRO 44 Cb -0.42 -3.14 -0.07 0.00 0.02 0.00 0.00 34.50 30.90 2f3r s PRO 44 CO 0.56 -0.31 0.76 1.03 -0.33 0.00 0.00 177.00 178.70 2f3r s ARG 45 N -0.51 3.85 -0.15 5.54 0.52 -1.26 -4.95 118.95 121.99 2f3r s ARG 45 Ca 0.57 0.53 -0.38 0.00 -0.52 0.00 0.00 55.73 55.92 2f3r s ARG 45 Cb -0.39 -2.40 -0.15 0.00 0.52 0.00 0.00 34.95 32.52 2f3r s ARG 45 CO 0.43 0.02 1.65 -2.30 0.02 0.00 0.00 175.30 175.12 2f3r n PRO 46 N -1.01 1.30 0.00 3.54 -0.02 -1.26 -0.93 135.00 136.62 2f3r n PRO 46 Ca 0.03 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2f3r n PRO 46 Cb 0.54 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 3.76 3.05 3.76 -1.23 0.00 -1.26 -5.07 105.19 108.21 2f3r n GLY 47 Ca 0.24 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 2f3r n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2f3r s GLU 48 N 0.00 4.11 -0.06 1.61 2.02 -0.10 -5.01 118.70 121.27 2f3r s GLU 48 Ca 0.00 2.59 0.06 0.00 0.02 0.00 0.00 54.97 57.64 2f3r s GLU 48 Cb 0.00 -2.99 -0.01 0.00 0.10 0.00 0.00 34.13 31.23 2f3r s GLU 48 CO 0.00 -0.60 -0.23 0.08 0.02 0.00 0.00 175.26 174.53 2f3r s VAL 49 N -0.49 1.89 0.19 2.63 1.01 -1.26 -4.83 120.40 119.54 2f3r s VAL 49 Ca 0.59 -0.98 -0.32 0.00 0.00 0.00 0.00 61.98 61.28 2f3r s VAL 49 Cb -0.48 -1.61 -0.11 0.00 0.00 0.00 0.00 36.38 34.18 2f3r s VAL 49 CO 0.55 0.53 1.74 -2.28 0.00 0.00 0.00 175.10 175.63 2f3r s HIS 50 N -0.09 2.76 0.00 5.22 2.46 -1.26 -1.62 115.29 122.76 2f3r s HIS 50 Ca -0.04 0.28 0.00 0.00 0.47 0.00 0.00 55.06 55.77 2f3r s HIS 50 Cb -0.13 -4.14 0.00 0.00 -0.13 0.00 0.00 32.58 28.18 2f3r s HIS 50 CO 0.04 -4.38 0.00 0.41 -2.47 0.00 0.00 174.74 168.33 2f3r n GLY 51 N 4.02 3.15 0.00 1.59 0.00 0.50 -4.87 105.19 109.59 2f3r n GLY 51 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.02 0.00 0.07 1.61 2.13 -0.64 -4.74 120.64 118.05 2f3r n GLU 52 Ca 0.00 0.15 -0.21 0.00 0.66 0.00 0.00 57.16 57.76 2f3r n GLU 52 Cb 0.00 -0.56 -0.15 0.00 0.27 0.00 0.00 31.44 31.01 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 0.65 -4.08 4.31 3.86 -1.81 -3.45 115.15 114.63 2f3r h HIS 53 Ca 0.00 -0.47 -0.18 0.00 -1.16 0.00 0.00 60.37 58.55 2f3r h HIS 53 Cb 0.00 -0.03 -0.10 0.00 1.06 0.00 0.00 27.41 28.34 2f3r h HIS 53 CO 0.00 1.40 -0.28 0.71 0.86 0.00 0.00 177.93 180.62 2f3r s TYR 54 N -2.48 0.83 -0.50 2.45 2.02 -1.25 -4.35 117.35 114.08 2f3r s TYR 54 Ca -0.13 -1.10 0.02 0.00 -0.37 0.00 0.00 57.07 55.49 2f3r s TYR 54 Cb 0.02 -0.12 0.13 0.00 -0.40 0.00 0.00 41.96 41.59 2f3r s TYR 54 CO 0.85 -0.94 0.25 -0.06 -1.57 0.00 0.00 175.55 174.08 2f3r s PHE 55 N -3.75 3.37 -0.28 2.71 0.40 -0.53 0.19 117.98 120.09 2f3r s PHE 55 Ca 0.30 -3.01 -0.29 0.00 -0.60 0.00 0.00 56.93 53.32 2f3r s PHE 55 Cb 0.02 -2.94 0.00 0.00 0.51 0.00 0.00 43.02 40.61 2f3r s PHE 55 CO 0.14 -0.82 1.22 -0.06 0.70 0.00 0.00 175.22 176.40 2f3r s PHE 56 N 0.08 2.86 0.33 0.36 0.40 -1.26 -1.90 117.98 118.85 2f3r s PHE 56 Ca 0.15 1.00 0.04 0.00 -0.60 0.00 0.00 56.93 57.52 2f3r s PHE 56 Cb -0.23 -3.75 -0.06 0.00 0.51 0.00 0.00 43.02 39.48 2f3r s PHE 56 CO -0.03 -1.41 0.06 0.14 0.70 0.00 0.00 175.22 174.69 2f3r s VAL 57 N 3.98 1.18 0.45 -0.44 -7.23 0.47 -4.96 120.40 113.85 2f3r s VAL 57 Ca 0.53 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.61 2f3r s VAL 57 Cb -0.16 -2.78 -0.05 0.00 0.56 0.00 0.00 36.38 33.94 2f3r s VAL 57 CO 0.19 0.00 0.80 0.20 -0.31 0.00 0.00 175.10 175.97 2f3r s ASN 58 N -3.50 6.40 0.27 4.85 0.01 -1.26 -4.05 114.94 117.67 2f3r s ASN 58 Ca 0.36 1.08 0.01 0.00 -0.71 0.00 0.00 52.86 53.59 2f3r s ASN 58 Cb 0.09 -2.31 0.60 0.00 0.41 0.00 0.00 41.25 40.04 2f3r s ASN 58 CO 0.15 -0.50 1.75 -0.74 -1.51 0.00 0.00 177.10 176.25 2f3r h HIS 59 N 0.75 0.78 0.32 2.20 2.76 -1.95 -0.83 115.15 119.18 2f3r h HIS 59 Ca -0.47 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 57.72 2f3r h HIS 59 Cb 1.19 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.94 2f3r h HIS 59 CO 0.60 0.15 -0.16 -0.44 -1.30 0.00 0.00 177.93 176.77 2f3r h ASP 60 N 0.60 -0.39 -0.73 3.26 3.32 -2.00 -2.14 116.42 118.34 2f3r h ASP 60 Ca 0.50 0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.63 2f3r h ASP 60 Cb 0.76 0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.36 2f3r h ASP 60 CO -0.40 -0.27 0.42 -0.08 -1.72 0.00 0.00 179.24 177.19 2f3r h GLU 61 N -0.45 0.74 -0.72 3.56 4.81 -1.69 -1.28 114.58 119.56 2f3r h GLU 61 Ca -0.04 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.17 2f3r h GLU 61 Cb 0.35 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 2f3r h GLU 61 CO 0.07 0.49 0.45 0.35 -0.73 0.00 0.00 179.01 179.64 2f3r h PHE 62 N 0.76 0.85 -0.38 0.92 3.04 -1.04 -2.02 116.94 119.06 2f3r h PHE 62 Ca 0.33 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.33 2f3r h PHE 62 Cb 0.21 -0.28 -0.03 0.00 2.56 0.00 0.00 35.95 38.41 2f3r h PHE 62 CO -0.07 0.49 0.21 0.87 -2.02 0.00 0.00 178.31 177.79 2f3r h LYS 63 N 0.88 0.41 -0.68 1.11 6.56 -0.59 -2.28 116.57 121.98 2f3r h LYS 63 Ca 0.29 -0.02 0.12 0.00 -1.06 0.00 0.00 60.65 59.97 2f3r h LYS 63 Cb 0.01 -0.09 -0.08 0.00 -0.57 0.00 0.00 32.23 31.50 2f3r h LYS 63 CO -0.11 0.27 0.26 0.93 -2.06 0.00 0.00 179.45 178.75 2f3r h GLU 64 N 0.42 0.42 -0.51 3.15 5.08 -0.59 -1.19 114.58 121.36 2f3r h GLU 64 Ca 0.16 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 2f3r h GLU 64 Cb 0.04 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2f3r h GLU 64 CO -0.09 0.28 -0.02 0.52 -1.00 0.00 0.00 179.01 178.70 2f3r h MET 65 N 0.43 0.87 0.13 2.33 2.86 -1.03 -2.59 114.93 117.93 2f3r h MET 65 Ca 0.36 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 2f3r h MET 65 Cb 0.49 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2f3r h MET 65 CO -0.35 0.88 -0.06 0.82 1.06 0.00 0.00 176.91 179.26 2f3r h ILE 66 N 0.81 0.90 -0.09 -1.22 2.04 -0.70 -1.01 117.51 118.23 2f3r h ILE 66 Ca 0.15 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.96 2f3r h ILE 66 Cb 0.50 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2f3r h ILE 66 CO 0.03 0.02 0.09 -1.28 0.00 0.00 0.00 178.15 177.00 2f3r h SER 67 N -0.20 0.00 -0.52 1.72 0.87 -1.22 -1.19 113.55 113.01 2f3r h SER 67 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2f3r h SER 67 Cb 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2f3r h SER 67 CO 0.03 0.00 0.00 -2.11 -0.53 0.00 0.00 176.83 174.22 2f3r n ARG 68 N -4.03 4.45 -3.94 2.24 1.85 -0.96 -4.96 116.66 111.31 2f3r n ARG 68 Ca -0.01 -3.09 -0.27 0.00 -1.00 0.00 0.00 57.85 53.49 2f3r n ARG 68 Cb 0.20 -2.16 -0.00 0.00 -1.05 0.00 0.00 32.46 29.44 2f3r n ARG 68 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2f3r n ASP 69 N 0.43 -1.54 0.01 2.89 10.43 -0.45 -4.88 116.55 123.44 2f3r n ASP 69 Ca 0.26 -0.94 0.12 0.00 2.57 0.00 0.00 54.79 56.81 2f3r n ASP 69 Cb 1.12 -3.33 0.31 0.00 1.84 0.00 0.00 41.12 41.05 2f3r n ASP 69 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2f3r n ALA 70 N -4.41 3.28 -2.89 2.24 0.00 -0.42 -4.88 120.51 113.42 2f3r n ALA 70 Ca -0.20 -0.30 -0.34 0.00 0.00 0.00 0.00 53.44 52.60 2f3r n ALA 70 Cb 0.63 -1.19 -0.11 0.00 0.00 0.00 0.00 19.45 18.79 2f3r n ALA 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2f3r s PHE 71 N -3.02 3.15 0.27 0.00 0.08 -1.26 -1.28 117.98 115.92 2f3r s PHE 71 Ca 0.11 -0.12 0.16 0.00 0.12 0.00 0.00 56.93 57.20 2f3r s PHE 71 Cb 0.17 -2.04 0.67 0.00 -0.57 0.00 0.00 43.02 41.26 2f3r s PHE 71 CO 0.67 0.04 1.76 1.25 -0.10 0.00 0.00 175.22 178.84 2f3r h LEU 72 N 6.81 0.00 -7.00 -0.37 5.85 -0.81 -3.44 115.31 116.35 2f3r h LEU 72 Ca -0.35 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.44 2f3r h LEU 72 Cb 1.18 0.00 -0.21 0.00 0.37 0.00 0.00 40.66 41.99 2f3r h LEU 72 CO 0.66 0.41 0.49 -1.83 -0.34 0.00 0.00 178.44 177.84 2f3r s GLU 73 N -3.82 0.69 0.01 1.25 4.04 -1.25 -4.73 118.70 114.90 2f3r s GLU 73 Ca -0.01 0.11 -0.28 0.00 0.04 0.00 0.00 54.97 54.83 2f3r s GLU 73 Cb 0.13 0.33 0.07 0.00 0.02 0.00 0.00 34.13 34.67 2f3r s GLU 73 CO 0.71 -0.23 0.63 -3.38 -1.84 0.00 0.00 175.26 171.15 2f3r s HIS 74 N -1.37 -0.59 0.06 4.83 -3.43 -1.26 -1.04 115.29 112.49 2f3r s HIS 74 Ca -0.02 0.84 -0.27 0.00 -0.80 0.00 0.00 55.06 54.81 2f3r s HIS 74 Cb -0.00 0.43 0.09 0.00 -1.43 0.00 0.00 32.58 31.66 2f3r s HIS 74 CO 0.02 -0.67 0.91 0.00 -2.00 0.00 0.00 174.74 173.00 2f3r s ALA 75 N -1.94 -1.75 -0.22 -1.38 0.00 -0.18 -4.83 121.76 111.45 2f3r s ALA 75 Ca -0.08 0.64 -0.14 0.00 0.00 0.00 0.00 51.96 52.38 2f3r s ALA 75 Cb -0.00 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 2f3r s ALA 75 CO 0.03 -0.84 0.32 -2.00 0.00 0.00 0.00 175.76 173.28 2f3r s GLU 76 N -3.20 4.13 -0.19 0.00 2.12 -1.26 -1.41 118.70 118.89 2f3r s GLU 76 Ca 0.08 0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.46 2f3r s GLU 76 Cb -0.01 -3.55 0.04 0.00 0.26 0.00 0.00 34.13 30.87 2f3r s GLU 76 CO -0.05 -0.02 -0.11 0.08 -0.54 0.00 0.00 175.26 174.62 2f3r s VAL 77 N 1.28 1.63 -0.72 3.70 1.01 0.18 -4.86 120.40 122.62 2f3r s VAL 77 Ca 0.15 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 2f3r s VAL 77 Cb -0.14 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.57 2f3r s VAL 77 CO 0.07 0.20 0.62 0.33 0.00 0.00 0.00 175.10 176.33 2f3r n PHE 78 N 4.70 -2.25 -3.67 5.22 7.35 -1.26 -3.10 117.46 124.44 2f3r n PHE 78 Ca -0.15 0.93 -0.22 0.00 -0.76 0.00 0.00 57.45 57.25 2f3r n PHE 78 Cb 0.47 -2.52 0.05 0.00 0.35 0.00 0.00 39.48 37.83 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 -1.23 -0.37 3.57 7.13 0.00 -1.26 -4.99 105.19 108.05 2f3r n GLY 79 Ca -0.25 0.15 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.07 -0.21 0.06 1.61 0.02 -1.18 -4.97 114.94 106.21 2f3r s ASN 80 Ca 0.18 0.02 0.03 0.00 -1.02 0.00 0.00 52.86 52.08 2f3r s ASN 80 Cb -0.09 0.22 -0.04 0.00 0.02 0.00 0.00 41.25 41.36 2f3r s ASN 80 CO 0.79 -0.34 0.03 -0.31 0.02 0.00 0.00 177.10 177.29 2f3r s TYR 81 N -2.51 3.08 -0.03 2.20 1.51 -1.26 -0.65 117.35 119.69 2f3r s TYR 81 Ca 0.08 0.04 -0.03 0.00 -1.01 0.00 0.00 57.07 56.15 2f3r s TYR 81 Cb -0.01 -1.60 0.01 0.00 -0.11 0.00 0.00 41.96 40.25 2f3r s TYR 81 CO -0.06 0.49 0.09 0.71 -1.11 0.00 0.00 175.55 175.67 2f3r s TYR 82 N -1.29 -0.09 0.07 2.71 1.51 -0.50 -2.30 117.35 117.46 2f3r s TYR 82 Ca 0.26 0.24 -0.19 0.00 -1.01 0.00 0.00 57.07 56.36 2f3r s TYR 82 Cb -0.12 0.01 0.04 0.00 -0.11 0.00 0.00 41.96 41.78 2f3r s TYR 82 CO 0.18 -0.05 0.44 0.20 -1.11 0.00 0.00 175.55 175.20 2f3r s GLY 83 N 0.17 -0.32 -0.38 0.71 0.00 -0.54 -1.01 107.32 105.95 2f3r s GLY 83 Ca -0.01 0.31 -0.09 0.00 0.00 0.00 0.00 44.72 44.92 2f3r s GLY 83 CO -0.00 0.03 0.19 -1.59 0.00 0.00 0.00 173.10 171.73 2f3r s THR 84 N -2.81 4.22 0.01 0.90 2.01 -0.21 -0.10 115.64 119.66 2f3r s THR 84 Ca -0.03 -1.11 -0.30 0.00 0.31 0.00 0.00 61.69 60.55 2f3r s THR 84 Cb -0.00 -3.44 -0.08 0.00 0.01 0.00 0.00 72.50 68.99 2f3r s THR 84 CO -0.05 -0.30 1.94 -0.94 -0.69 0.00 0.00 174.62 174.58 2f3r s SER 85 N 1.67 6.42 0.24 3.53 1.04 -1.26 -0.11 113.70 125.23 2f3r s SER 85 Ca 0.01 2.56 -0.05 0.00 0.48 0.00 0.00 55.95 58.95 2f3r s SER 85 Cb -0.20 -2.53 0.44 0.00 0.10 0.00 0.00 66.02 63.83 2f3r s SER 85 CO 0.04 -1.10 1.72 -0.09 0.98 0.00 0.00 173.24 174.80 2f3r h ARG 86 N 10.73 0.39 -0.04 4.02 2.43 -1.48 -3.08 114.38 127.34 2f3r h ARG 86 Ca -0.48 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 58.71 2f3r h ARG 86 Cb 1.23 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 2f3r h ARG 86 CO 0.94 0.26 -0.22 1.49 -1.51 0.00 0.00 179.97 180.93 2f3r h GLU 87 N 0.40 -0.31 -0.49 0.20 4.81 -1.89 -1.93 114.58 115.37 2f3r h GLU 87 Ca 0.40 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.72 2f3r h GLU 87 Cb 0.62 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.01 2f3r h GLU 87 CO -0.42 -0.21 0.15 0.00 -0.73 0.00 0.00 179.01 177.80 2f3r h ALA 88 N 0.58 0.58 -0.16 2.92 0.00 -1.94 -2.23 119.26 119.01 2f3r h ALA 88 Ca 0.07 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2f3r h ALA 88 Cb 0.42 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2f3r h ALA 88 CO -0.23 -0.25 0.10 0.82 0.00 0.00 0.00 179.25 179.69 2f3r h ILE 89 N 0.31 1.07 -0.74 0.00 1.08 -1.52 -2.06 117.51 115.64 2f3r h ILE 89 Ca 0.24 -0.17 -0.02 0.00 -0.39 0.00 0.00 64.86 64.52 2f3r h ILE 89 Cb 0.27 0.89 -0.04 0.00 -3.07 0.00 0.00 36.82 34.87 2f3r h ILE 89 CO -0.26 0.07 0.38 -0.33 -0.69 0.00 0.00 178.15 177.31 2f3r h GLU 90 N 0.19 1.04 -0.41 2.37 5.08 -1.17 -0.13 114.58 121.55 2f3r h GLU 90 Ca 0.06 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2f3r h GLU 90 Cb 0.02 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2f3r h GLU 90 CO -0.01 0.79 0.09 1.96 -1.00 0.00 0.00 179.01 180.83 2f3r h GLN 91 N 1.04 0.67 -0.01 2.33 4.20 -1.21 -1.86 115.11 120.28 2f3r h GLN 91 Ca 0.26 -0.17 -0.18 0.00 0.06 0.00 0.00 58.65 58.62 2f3r h GLN 91 Cb 0.07 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 2f3r h GLN 91 CO -0.04 0.70 -0.80 0.28 -0.67 0.00 0.00 178.83 178.30 2f3r h VAL 92 N 0.53 1.50 -0.14 -0.54 2.07 -1.18 -3.22 116.25 115.27 2f3r h VAL 92 Ca 0.13 -2.54 -0.14 0.00 0.82 0.00 0.00 66.70 64.97 2f3r h VAL 92 Cb 0.34 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 2f3r h VAL 92 CO 0.00 0.74 -0.50 -0.07 0.02 0.00 0.00 177.57 177.76 2f3r h LEU 93 N 0.08 0.40 -0.99 2.57 3.38 -0.94 -2.86 115.31 116.95 2f3r h LEU 93 Ca -0.03 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2f3r h LEU 93 Cb 1.40 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2f3r h LEU 93 CO 0.12 0.83 0.00 0.00 0.09 0.00 0.00 178.44 179.48 2f3r h ALA 94 N 1.18 1.00 -0.29 1.53 0.00 -1.35 -2.17 119.26 119.16 2f3r h ALA 94 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2f3r h ALA 94 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2f3r h ALA 94 CO 0.08 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.58 2f3r n THR 95 N -2.58 0.38 -0.74 0.00 -2.24 -1.09 -4.77 114.28 103.23 2f3r n THR 95 Ca 0.02 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2f3r n THR 95 Cb 0.26 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 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 1.14 0.79 3.79 3.38 0.00 -0.86 -4.97 105.19 108.46 2f3r n GLY 96 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.96 4.38 0.01 1.61 1.01 -1.18 -4.13 120.40 119.14 2f3r s VAL 97 Ca 0.00 1.63 -0.26 0.00 0.00 0.00 0.00 61.98 63.34 2f3r s VAL 97 Cb 0.00 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2f3r s VAL 97 CO 0.00 0.35 0.81 -1.81 0.00 0.00 0.00 175.10 174.45 2f3r s ASP 98 N -1.40 7.21 -0.10 3.32 1.11 -0.11 -4.09 116.67 122.61 2f3r s ASP 98 Ca 0.41 1.46 0.01 0.00 0.18 0.00 0.00 52.55 54.61 2f3r s ASP 98 Cb -0.20 -2.49 -0.02 0.00 1.07 0.00 0.00 42.92 41.28 2f3r s ASP 98 CO 0.24 -0.09 -0.13 -0.69 1.18 0.00 0.00 175.17 175.69 2f3r s VAL 99 N 0.41 3.14 -0.18 -1.27 1.01 -0.20 -2.01 120.40 121.30 2f3r s VAL 99 Ca 0.42 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 2f3r s VAL 99 Cb -0.20 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 2f3r s VAL 99 CO 0.23 0.55 0.18 -0.36 0.00 0.00 0.00 175.10 175.71 2f3r s PHE 100 N -0.12 3.45 -0.30 5.22 0.40 -0.28 0.59 117.98 126.94 2f3r s PHE 100 Ca -0.01 0.44 0.00 0.00 -0.60 0.00 0.00 56.93 56.76 2f3r s PHE 100 Cb -0.14 -2.20 0.06 0.00 0.51 0.00 0.00 43.02 41.26 2f3r s PHE 100 CO 0.03 0.32 -0.02 -0.51 0.70 0.00 0.00 175.22 175.74 2f3r s LEU 101 N 0.25 3.90 -0.71 -0.37 1.02 0.77 -1.11 118.68 122.44 2f3r s LEU 101 Ca 0.11 -1.45 -0.21 0.00 0.02 0.00 0.00 54.13 52.61 2f3r s LEU 101 Cb -0.12 -1.65 0.09 0.00 0.02 0.00 0.00 46.19 44.53 2f3r s LEU 101 CO 0.01 -0.26 0.94 -0.62 0.02 0.00 0.00 176.35 176.43 2f3r s ASP 102 N 1.20 6.28 0.17 2.29 -1.08 -1.26 -1.78 116.67 122.49 2f3r s ASP 102 Ca -0.04 -1.35 -0.03 0.00 -0.52 0.00 0.00 52.55 50.62 2f3r s ASP 102 Cb -0.20 -2.39 -0.03 0.00 -1.46 0.00 0.00 42.92 38.84 2f3r s ASP 102 CO -0.03 -1.27 0.13 0.27 0.52 0.00 0.00 175.17 174.78 2f3r s ILE 103 N 3.40 0.06 0.82 4.11 -4.36 -1.13 -5.01 121.20 119.08 2f3r s ILE 103 Ca 0.22 -1.86 -0.11 0.00 -0.26 0.00 0.00 60.65 58.64 2f3r s ILE 103 Cb -0.16 -2.19 0.10 0.00 1.25 0.00 0.00 42.46 41.46 2f3r s ILE 103 CO 0.05 -0.26 1.17 1.51 0.24 0.00 0.00 174.94 177.65 2f3r s ASP 104 N -3.08 4.29 0.59 4.36 -4.77 -1.26 -4.22 116.67 112.58 2f3r s ASP 104 Ca 0.29 0.58 0.29 0.00 -3.30 0.00 0.00 52.55 50.40 2f3r s ASP 104 Cb 0.06 -1.01 1.64 0.00 -1.09 0.00 0.00 42.92 42.52 2f3r s ASP 104 CO 0.06 -2.00 2.08 4.11 0.70 0.00 0.00 175.17 180.11 2f3r h TRP 105 N -1.06 0.00 -0.03 2.11 5.08 -1.94 -1.20 115.95 118.90 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 1.31 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.47 2f3r h TRP 105 CO 0.01 0.00 -0.09 1.96 -1.28 0.00 0.00 178.44 179.05 2f3r h GLN 106 N 0.00 0.11 -0.54 0.12 4.20 -1.99 -2.96 115.11 114.06 2f3r h GLN 106 Ca 0.10 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 2f3r h GLN 106 Cb 0.56 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 2f3r h GLN 106 CO -0.00 0.70 0.05 0.78 -0.67 0.00 0.00 178.83 179.69 2f3r h GLY 107 N -0.46 0.94 0.39 3.46 0.00 -1.75 -2.88 103.07 102.77 2f3r h GLY 107 Ca -0.00 -0.60 0.10 0.00 0.00 0.00 0.00 47.33 46.82 2f3r h GLY 107 CO 0.02 0.56 0.26 0.00 0.00 0.00 0.00 176.54 177.38 2f3r h ALA 108 N 1.24 0.85 0.37 3.60 0.00 -1.24 -0.67 119.26 123.39 2f3r h ALA 108 Ca 0.17 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2f3r h ALA 108 Cb 0.41 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2f3r h ALA 108 CO 0.01 -0.16 -0.18 1.96 0.00 0.00 0.00 179.25 180.88 2f3r h GLN 109 N 0.45 -0.48 -0.24 0.00 4.20 -1.33 -0.32 115.11 117.39 2f3r h GLN 109 Ca 0.32 0.03 0.07 0.00 0.06 0.00 0.00 58.65 59.14 2f3r h GLN 109 Cb 0.40 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2f3r h GLN 109 CO -0.31 -0.30 0.21 1.96 -0.67 0.00 0.00 178.83 179.72 2f3r h GLN 110 N -0.52 0.00 0.08 1.46 4.20 -1.34 -0.35 115.11 118.65 2f3r h GLN 110 Ca -0.05 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.41 2f3r h GLN 110 Cb 0.39 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2f3r h GLN 110 CO 0.08 0.00 -1.16 0.82 -0.67 0.00 0.00 178.83 177.91 2f3r h ILE 111 N 0.00 1.58 -0.40 2.54 1.08 -0.59 -3.16 117.51 118.56 2f3r h ILE 111 Ca 0.11 -3.19 -0.02 0.00 -0.39 0.00 0.00 64.86 61.37 2f3r h ILE 111 Cb 0.53 2.91 -0.02 0.00 -3.07 0.00 0.00 36.82 37.17 2f3r h ILE 111 CO -0.00 0.92 0.17 0.03 -0.69 0.00 0.00 178.15 178.58 2f3r h ARG 112 N 0.05 0.56 -0.05 2.37 3.08 0.69 -0.36 114.38 120.72 2f3r h ARG 112 Ca -0.09 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.78 2f3r h ARG 112 Cb 1.90 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 31.85 2f3r h ARG 112 CO 0.18 0.46 -0.41 1.96 -1.07 0.00 0.00 179.97 181.09 2f3r h GLN 113 N 0.56 0.37 0.00 0.04 4.20 -1.56 -2.52 115.11 116.21 2f3r h GLN 113 Ca 0.14 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.52 2f3r h GLN 113 Cb 0.11 0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2f3r h GLN 113 CO -0.02 0.98 0.00 0.87 -0.67 0.00 0.00 178.83 180.00 2f3r h LYS 114 N -0.12 0.00 -1.85 1.46 1.57 -1.49 -3.37 116.57 112.76 2f3r h LYS 114 Ca -0.04 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.29 2f3r h LYS 114 Cb 1.09 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.08 2f3r h LYS 114 CO 0.08 0.00 -0.85 -1.33 -0.57 0.00 0.00 179.45 176.79 2f3r n MET 115 N -2.68 0.36 0.13 3.15 2.81 -0.16 -4.98 117.12 115.77 2f3r n MET 115 Ca 0.04 -2.81 0.10 0.00 -1.81 0.00 0.00 57.70 53.21 2f3r n MET 115 Cb 0.44 -1.56 0.48 0.00 -0.71 0.00 0.00 33.22 31.88 2f3r n MET 115 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 2f3r n PRO 116 N 2.64 0.13 0.19 0.03 -0.02 -0.95 -1.62 135.00 135.39 2f3r n PRO 116 Ca 0.25 0.57 0.12 0.00 -2.02 0.00 0.00 63.50 62.42 2f3r n PRO 116 Cb 0.51 -1.87 0.13 0.00 -0.02 0.00 0.00 33.50 32.25 2f3r n PRO 116 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2f3r h HIS 117 N 0.00 0.00 -3.87 6.00 2.76 -1.93 -3.47 115.15 114.64 2f3r h HIS 117 Ca 0.00 0.00 -0.56 0.00 -2.20 0.00 0.00 60.37 57.61 2f3r h HIS 117 Cb 0.07 0.00 0.16 0.00 1.55 0.00 0.00 27.41 29.19 2f3r h HIS 117 CO 0.00 0.00 0.36 0.00 -1.30 0.00 0.00 177.93 176.99 2f3r n ALA 118 N -2.12 0.78 -2.96 5.26 0.00 -0.64 -4.83 120.51 116.00 2f3r n ALA 118 Ca 0.03 0.01 -0.33 0.00 0.00 0.00 0.00 53.44 53.15 2f3r n ALA 118 Cb 0.53 -2.24 -0.13 0.00 0.00 0.00 0.00 19.45 17.62 2f3r n ALA 118 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2f3r s ARG 119 N -3.07 3.42 -0.09 0.00 1.81 -0.64 -4.99 118.95 115.40 2f3r s ARG 119 Ca 0.79 -0.60 0.01 0.00 -1.72 0.00 0.00 55.73 54.21 2f3r s ARG 119 Cb -0.40 -2.74 -0.03 0.00 -0.45 0.00 0.00 34.95 31.33 2f3r s ARG 119 CO 0.44 0.28 -0.10 -1.54 -0.68 0.00 0.00 175.30 173.70 2f3r s SER 120 N 0.21 4.38 -0.11 0.23 1.04 -1.26 -0.32 113.70 117.87 2f3r s SER 120 Ca -0.05 -0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.27 2f3r s SER 120 Cb -0.15 -1.24 0.01 0.00 0.10 0.00 0.00 66.02 64.74 2f3r s SER 120 CO 0.04 0.30 -0.21 -0.63 0.98 0.00 0.00 173.24 173.72 2f3r s ILE 121 N -0.43 1.87 -0.08 -1.02 1.01 0.45 -1.38 121.20 121.62 2f3r s ILE 121 Ca 0.06 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.83 2f3r s ILE 121 Cb -0.12 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 2f3r s ILE 121 CO 0.02 0.52 -0.11 0.12 0.00 0.00 0.00 174.94 175.49 2f3r s PHE 122 N 0.64 2.83 -0.13 3.97 5.36 -0.25 -1.03 117.98 129.37 2f3r s PHE 122 Ca -0.13 -0.20 -0.01 0.00 -0.96 0.00 0.00 56.93 55.64 2f3r s PHE 122 Cb -0.16 -1.73 -0.02 0.00 -0.34 0.00 0.00 43.02 40.77 2f3r s PHE 122 CO 0.03 0.14 -0.10 0.42 -1.46 0.00 0.00 175.22 174.25 2f3r s ILE 123 N -0.45 3.32 0.12 3.12 1.01 0.54 -1.46 121.20 127.39 2f3r s ILE 123 Ca 0.06 -0.57 0.09 0.00 0.00 0.00 0.00 60.65 60.23 2f3r s ILE 123 Cb -0.12 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 2f3r s ILE 123 CO 0.02 0.52 -0.16 -0.76 0.00 0.00 0.00 174.94 174.56 2f3r s LEU 124 N 0.24 2.78 0.69 2.97 1.43 -0.35 -4.27 118.68 122.17 2f3r s LEU 124 Ca -0.07 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.40 2f3r s LEU 124 Cb -0.15 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.47 2f3r s LEU 124 CO 0.04 0.18 1.08 -2.16 0.23 0.00 0.00 176.35 175.72 2f3r s PRO 125 N -2.18 2.98 0.01 1.29 0.04 -1.26 -1.68 135.00 134.20 2f3r s PRO 125 Ca 0.19 0.48 0.21 0.00 0.04 0.00 0.00 61.00 61.92 2f3r s PRO 125 Cb -0.11 -2.05 0.87 0.00 0.04 0.00 0.00 34.50 33.26 2f3r s PRO 125 CO 0.11 -0.94 1.66 -0.35 0.04 0.00 0.00 177.00 177.52 2f3r n PRO 126 N -2.94 0.01 -3.60 0.56 -0.04 -1.26 -4.79 135.00 122.93 2f3r n PRO 126 Ca 0.07 0.15 0.01 0.00 -0.04 0.00 0.00 63.50 63.69 2f3r n PRO 126 Cb 0.57 -1.51 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 2f3r n PRO 126 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2f3r s SER 127 N -3.04 -0.06 0.29 3.54 1.04 -1.26 -4.99 113.70 109.23 2f3r s SER 127 Ca 0.10 -0.08 0.14 0.00 0.48 0.00 0.00 55.95 56.59 2f3r s SER 127 Cb 0.13 0.12 0.36 0.00 0.10 0.00 0.00 66.02 66.73 2f3r s SER 127 CO 0.38 -0.21 1.59 0.50 0.98 0.00 0.00 173.24 176.47 2f3r h LYS 128 N 2.00 0.00 0.08 4.02 3.64 -1.98 -0.52 116.57 123.81 2f3r h LYS 128 Ca -0.25 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2f3r h LYS 128 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2f3r h LYS 128 CO 0.27 0.56 -0.04 0.82 -2.27 0.00 0.00 179.45 178.79 2f3r h ILE 129 N 0.00 1.18 -0.88 2.00 2.04 -1.98 0.21 117.51 120.08 2f3r h ILE 129 Ca -0.01 -1.15 0.02 0.00 1.00 0.00 0.00 64.86 64.72 2f3r h ILE 129 Cb 1.16 1.90 -0.05 0.00 -0.74 0.00 0.00 36.82 39.09 2f3r h ILE 129 CO 0.07 0.27 0.58 -0.08 0.00 0.00 0.00 178.15 178.99 2f3r h GLU 130 N -0.65 1.13 -0.06 2.37 4.57 -1.94 0.16 114.58 120.16 2f3r h GLU 130 Ca -0.01 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2f3r h GLU 130 Cb 0.53 -0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 2f3r h GLU 130 CO 0.02 0.75 -0.11 1.25 -1.18 0.00 0.00 179.01 179.74 2f3r h LEU 131 N 1.16 -0.32 -0.32 1.64 5.85 -1.03 0.25 115.31 122.54 2f3r h LEU 131 Ca 0.33 0.06 0.05 0.00 0.84 0.00 0.00 57.88 59.16 2f3r h LEU 131 Cb -0.10 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 2f3r h LEU 131 CO -0.08 -0.15 0.03 -0.78 -0.34 0.00 0.00 178.44 177.11 2f3r h ASP 132 N -0.16 -0.07 -0.17 1.25 1.82 0.01 -0.41 116.42 118.70 2f3r h ASP 132 Ca 0.06 0.07 0.04 0.00 -0.39 0.00 0.00 57.03 56.80 2f3r h ASP 132 Cb 0.24 0.11 -0.04 0.00 0.68 0.00 0.00 39.33 40.32 2f3r h ASP 132 CO -0.15 -0.00 -0.07 -0.09 -1.61 0.00 0.00 179.24 177.32 2f3r h ARG 133 N 0.13 -0.04 -0.39 0.28 2.43 -0.12 -0.42 114.38 116.25 2f3r h ARG 133 Ca 0.16 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 2f3r h ARG 133 Cb 0.20 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 2f3r h ARG 133 CO -0.24 -0.03 0.08 0.00 -1.51 0.00 0.00 179.97 178.28 2f3r h ARG 134 N -0.04 0.59 -0.48 0.20 3.08 -0.61 -2.88 114.38 114.22 2f3r h ARG 134 Ca 0.09 -0.10 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 2f3r h ARG 134 Cb 0.17 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2f3r h ARG 134 CO -0.20 0.55 -0.20 -0.07 -1.07 0.00 0.00 179.97 178.99 2f3r h LEU 135 N 0.57 1.01 -1.53 3.04 3.38 -0.32 -2.90 115.31 118.56 2f3r h LEU 135 Ca 0.13 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2f3r h LEU 135 Cb 0.24 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2f3r h LEU 135 CO -0.00 1.18 0.02 0.03 0.09 0.00 0.00 178.44 179.76 2f3r h ARG 136 N 0.85 0.00 0.00 1.13 3.08 -0.87 -3.50 114.38 115.06 2f3r h ARG 136 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2f3r h ARG 136 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2f3r h ARG 136 CO 0.06 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.37 2f3r n GLY 137 N -1.28 0.00 3.64 0.04 0.00 -1.10 -5.12 105.19 101.38 2f3r n GLY 137 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 1.61 0.12 1.61 3.41 -1.26 -5.01 113.62 114.10 2f3r n SER 142 Ca 0.00 1.01 0.17 0.00 -0.26 0.00 0.00 58.87 59.80 2f3r n SER 142 Cb 0.00 -1.41 0.53 0.00 -0.26 0.00 0.00 64.21 63.07 2f3r n SER 142 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2f3r h GLU 143 N 1.52 0.00 0.30 4.33 4.39 -2.06 -1.40 114.58 121.66 2f3r h GLU 143 Ca -0.46 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.22 2f3r h GLU 143 Cb 1.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 2f3r h GLU 143 CO 0.57 0.00 -0.14 1.49 -1.16 0.00 0.00 179.01 179.76 2f3r h GLU 144 N 0.00 -0.38 -0.48 2.33 4.57 -2.06 -2.75 114.58 115.80 2f3r h GLU 144 Ca 0.19 0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.48 2f3r h GLU 144 Cb 1.67 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 30.32 2f3r h GLU 144 CO -0.00 -0.16 0.33 0.28 -1.18 0.00 0.00 179.01 178.28 2f3r h VAL 145 N -1.06 0.89 -0.01 0.32 2.07 -1.71 -0.76 116.25 115.99 2f3r h VAL 145 Ca -0.04 -0.09 -0.14 0.00 0.82 0.00 0.00 66.70 67.24 2f3r h VAL 145 Cb 0.41 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2f3r h VAL 145 CO 0.07 0.05 -0.66 0.40 0.02 0.00 0.00 177.57 177.44 2f3r h ILE 146 N 0.27 1.46 0.00 4.57 2.04 -1.56 -2.45 117.51 121.83 2f3r h ILE 146 Ca 0.22 -2.22 -0.14 0.00 1.00 0.00 0.00 64.86 63.72 2f3r h ILE 146 Cb 0.53 2.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 2f3r h ILE 146 CO -0.05 0.64 -0.65 0.00 0.00 0.00 0.00 178.15 178.09 2f3r h ALA 147 N 1.29 0.75 0.00 1.87 0.00 -0.84 -2.43 119.26 119.89 2f3r h ALA 147 Ca -0.01 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.23 2f3r h ALA 147 Cb 1.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2f3r h ALA 147 CO 0.09 0.82 -0.38 0.87 0.00 0.00 0.00 179.25 180.65 2f3r h LYS 148 N 0.00 0.00 -0.04 0.00 1.57 -1.32 -2.45 116.57 114.33 2f3r h LYS 148 Ca -0.01 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 2f3r h LYS 148 Cb 1.29 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.61 2f3r h LYS 148 CO 0.08 0.38 -0.64 0.00 -0.57 0.00 0.00 179.45 178.70 2f3r h ARG 149 N 0.00 0.50 0.00 3.15 3.08 -1.33 -2.89 114.38 116.89 2f3r h ARG 149 Ca -0.00 -0.49 -0.04 0.00 0.07 0.00 0.00 59.98 59.52 2f3r h ARG 149 Cb 1.29 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.46 2f3r h ARG 149 CO 0.05 1.12 -0.19 1.98 -1.07 0.00 0.00 179.97 181.87 2f3r h MET 150 N 0.06 0.00 -0.16 0.04 4.05 -1.43 -2.04 114.93 115.45 2f3r h MET 150 Ca -0.07 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.16 2f3r h MET 150 Cb 1.32 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.12 2f3r h MET 150 CO 0.13 0.19 -0.67 0.00 0.23 0.00 0.00 176.91 176.79 2f3r h ALA 151 N 1.81 0.52 0.00 0.39 0.00 -1.37 -2.06 119.26 118.55 2f3r h ALA 151 Ca -0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 2f3r h ALA 151 Cb 0.38 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2f3r h ALA 151 CO 0.02 0.71 -0.10 0.37 0.00 0.00 0.00 179.25 180.25 2f3r h GLN 152 N 0.45 0.00 0.13 0.00 4.15 -1.25 -3.02 115.11 115.58 2f3r h GLN 152 Ca -0.02 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.19 2f3r h GLN 152 Cb 1.26 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.97 2f3r h GLN 152 CO 0.13 0.10 -0.91 0.00 -1.93 0.00 0.00 178.83 176.22 2f3r h ALA 153 N 1.90 -0.07 -0.07 3.38 0.00 -1.23 -2.52 119.26 120.65 2f3r h ALA 153 Ca -0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 2f3r h ALA 153 Cb 0.93 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2f3r h ALA 153 CO 0.01 0.44 -0.04 0.28 0.00 0.00 0.00 179.25 179.94 2f3r h VAL 154 N -0.20 1.08 -0.00 0.00 2.07 -1.39 0.26 116.25 118.07 2f3r h VAL 154 Ca -0.15 -0.32 -0.21 0.00 0.82 0.00 0.00 66.70 66.83 2f3r h VAL 154 Cb 1.69 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 32.53 2f3r h VAL 154 CO 0.17 0.10 -0.91 0.00 0.02 0.00 0.00 177.57 176.95 2f3r h ALA 155 N 1.86 0.43 0.09 1.67 0.00 -1.55 -2.95 119.26 118.82 2f3r h ALA 155 Ca 0.02 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 2f3r h ALA 155 Cb 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2f3r h ALA 155 CO 0.01 0.85 -0.04 0.93 0.00 0.00 0.00 179.25 180.99 2f3r h GLU 156 N 0.18 -0.12 -0.02 0.00 4.39 -0.79 -3.17 114.58 115.05 2f3r h GLU 156 Ca -0.06 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.65 2f3r h GLU 156 Cb 1.54 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 30.22 2f3r h GLU 156 CO 0.15 0.24 0.10 0.52 -1.16 0.00 0.00 179.01 178.85 2f3r h MET 157 N -0.49 0.00 0.00 2.33 2.86 -1.05 -2.48 114.93 116.11 2f3r h MET 157 Ca -0.01 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 2f3r h MET 157 Cb 0.41 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 2f3r h MET 157 CO 0.02 0.00 -0.29 0.66 1.06 0.00 0.00 176.91 178.37 2f3r h SER 158 N 0.00 0.00 -0.38 1.22 4.64 -1.48 -2.81 113.55 114.74 2f3r h SER 158 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2f3r h SER 158 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2f3r h SER 158 CO -0.00 0.29 0.00 1.41 -0.87 0.00 0.00 176.83 177.66 2f3r n HIS 159 N -3.53 1.07 -0.15 4.77 -0.00 -0.93 -4.46 115.22 111.99 2f3r n HIS 159 Ca -0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 57.72 57.32 2f3r n HIS 159 Cb 0.44 -0.25 0.26 0.00 -0.00 0.00 0.00 29.99 30.44 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 2.48 0.83 0.00 4.41 -0.00 -1.66 -2.59 116.97 120.44 2f3r h TYR 160 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.72 2f3r h TYR 160 Cb 1.17 -0.27 0.00 0.00 0.00 0.00 0.00 36.73 37.63 2f3r h TYR 160 CO 0.56 0.58 0.00 0.00 -0.00 0.00 0.00 178.16 179.30 2f3r n ALA 161 N -2.44 1.31 1.48 0.10 0.00 -1.26 -2.00 120.51 117.70 2f3r n ALA 161 Ca 0.06 0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.69 2f3r n ALA 161 Cb 0.09 -1.21 0.76 0.00 0.00 0.00 0.00 19.45 19.09 2f3r n ALA 161 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2f3r n GLU 162 N -1.83 0.56 -3.97 0.00 1.02 -0.98 -4.85 120.64 110.60 2f3r n GLU 162 Ca 0.01 0.02 -0.28 0.00 -0.02 0.00 0.00 57.16 56.89 2f3r n GLU 162 Cb 0.10 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.98 2f3r n GLU 162 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2f3r s TYR 163 N -2.39 3.41 0.11 -0.32 1.51 -0.85 -4.99 117.35 113.83 2f3r s TYR 163 Ca 0.32 0.13 -0.11 0.00 -1.01 0.00 0.00 57.07 56.40 2f3r s TYR 163 Cb 0.19 -1.66 -0.13 0.00 -0.11 0.00 0.00 41.96 40.25 2f3r s TYR 163 CO 0.40 0.54 1.31 -0.44 -1.11 0.00 0.00 175.55 176.25 2f3r h ASP 164 N 2.57 0.85 -3.43 2.29 3.32 -1.55 -3.46 116.42 117.00 2f3r h ASP 164 Ca -0.47 -0.58 -0.59 0.00 0.02 0.00 0.00 57.03 55.41 2f3r h ASP 164 Cb 1.18 -0.25 -0.19 0.00 0.22 0.00 0.00 39.33 40.29 2f3r h ASP 164 CO 0.70 1.37 -0.81 -0.31 -1.72 0.00 0.00 179.24 178.47 2f3r s TYR 165 N -3.65 2.05 -0.06 4.55 1.51 -0.61 -5.03 117.35 116.11 2f3r s TYR 165 Ca -0.09 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 2f3r s TYR 165 Cb 0.09 -1.03 0.02 0.00 -0.11 0.00 0.00 41.96 40.93 2f3r s TYR 165 CO 0.90 0.40 -0.04 -1.17 -1.11 0.00 0.00 175.55 174.53 2f3r s LEU 166 N -2.60 1.06 -0.14 -1.29 2.96 -1.26 -1.09 118.68 116.32 2f3r s LEU 166 Ca 0.17 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.94 2f3r s LEU 166 Cb -0.07 -0.52 -0.00 0.00 0.50 0.00 0.00 46.19 46.09 2f3r s LEU 166 CO 0.08 -0.11 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.21 2f3r s ILE 167 N 1.39 2.64 -0.60 6.68 1.01 -0.54 -4.98 121.20 126.80 2f3r s ILE 167 Ca -0.03 -0.79 -0.17 0.00 0.00 0.00 0.00 60.65 59.66 2f3r s ILE 167 Cb -0.13 -2.10 0.13 0.00 0.01 0.00 0.00 42.46 40.37 2f3r s ILE 167 CO -0.03 0.52 0.62 -0.69 0.00 0.00 0.00 174.94 175.36 2f3r s VAL 168 N 0.68 5.12 -1.25 2.92 1.01 -1.26 -1.21 120.40 126.40 2f3r s VAL 168 Ca -0.08 -1.45 -0.20 0.00 0.00 0.00 0.00 61.98 60.25 2f3r s VAL 168 Cb -0.16 -4.42 0.01 0.00 0.00 0.00 0.00 36.38 31.82 2f3r s VAL 168 CO 0.02 -0.99 1.81 0.21 0.00 0.00 0.00 175.10 176.15 2f3r s ASN 169 N 3.44 6.15 -0.12 3.32 2.47 -0.67 -4.64 114.94 124.89 2f3r s ASN 169 Ca 0.08 -2.15 -0.07 0.00 0.42 0.00 0.00 52.86 51.14 2f3r s ASN 169 Cb -0.25 -2.58 -0.02 0.00 -1.45 0.00 0.00 41.25 36.94 2f3r s ASN 169 CO 0.02 -1.90 -0.14 -0.78 -3.72 0.00 0.00 177.10 170.58 2f3r h ASP 170 N 8.40 0.00 -3.88 -4.21 1.82 -1.93 -3.37 116.42 113.25 2f3r h ASP 170 Ca 0.36 0.00 -0.64 0.00 -0.39 0.00 0.00 57.03 56.36 2f3r h ASP 170 Cb 0.90 0.00 -0.17 0.00 0.68 0.00 0.00 39.33 40.73 2f3r h ASP 170 CO 1.37 0.63 -0.52 -0.62 -1.61 0.00 0.00 179.24 178.49 2f3r s ASP 171 N -5.39 6.00 0.18 2.28 2.15 -1.26 -4.95 116.67 115.67 2f3r s ASP 171 Ca -0.12 -0.04 -0.21 0.00 0.43 0.00 0.00 52.55 52.61 2f3r s ASP 171 Cb 0.02 -2.12 0.10 0.00 -0.30 0.00 0.00 42.92 40.62 2f3r s ASP 171 CO 0.18 -0.06 1.60 0.15 -0.17 0.00 0.00 175.17 176.87 2f3r h PHE 172 N 8.37 -0.83 -0.48 -5.34 3.57 -1.98 -0.27 116.94 119.99 2f3r h PHE 172 Ca -0.35 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.19 2f3r h PHE 172 Cb 1.19 0.44 -0.02 0.00 2.79 0.00 0.00 35.95 40.34 2f3r h PHE 172 CO 0.75 -0.37 0.22 -0.44 -2.23 0.00 0.00 178.31 176.25 2f3r h ASP 173 N -0.19 0.63 -0.54 0.41 3.32 -1.98 0.95 116.42 119.01 2f3r h ASP 173 Ca 0.20 -0.14 0.09 0.00 0.02 0.00 0.00 57.03 57.21 2f3r h ASP 173 Cb 0.53 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.85 2f3r h ASP 173 CO -0.59 0.59 0.15 0.74 -1.72 0.00 0.00 179.24 178.41 2f3r h THR 174 N 0.63 0.75 -0.11 0.35 2.02 -1.81 0.29 112.91 115.02 2f3r h THR 174 Ca 0.16 -0.11 -0.13 0.00 0.77 0.00 0.00 66.41 67.11 2f3r h THR 174 Cb 0.13 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2f3r h THR 174 CO -0.02 0.06 -0.49 0.00 0.37 0.00 0.00 175.52 175.44 2f3r h ALA 175 N 1.40 0.96 -0.40 6.16 0.00 -0.65 -2.22 119.26 124.50 2f3r h ALA 175 Ca 0.27 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2f3r h ALA 175 Cb 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2f3r h ALA 175 CO -0.31 0.66 -0.18 1.25 0.00 0.00 0.00 179.25 180.66 2f3r h LEU 176 N 0.23 0.77 -0.87 0.00 5.85 0.17 -2.03 115.31 119.44 2f3r h LEU 176 Ca 0.01 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.40 2f3r h LEU 176 Cb 0.95 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 2f3r h LEU 176 CO 0.08 0.95 -0.34 0.74 -0.34 0.00 0.00 178.44 179.53 2f3r h THR 177 N 0.68 0.77 -0.29 1.05 2.02 -0.83 -1.82 112.91 114.50 2f3r h THR 177 Ca 0.10 -1.48 -0.16 0.00 0.77 0.00 0.00 66.41 65.64 2f3r h THR 177 Cb 0.68 1.94 -0.00 0.00 -1.74 0.00 0.00 68.15 69.03 2f3r h THR 177 CO 0.05 0.34 -0.46 0.44 0.37 0.00 0.00 175.52 176.26 2f3r h ASP 178 N 0.00 0.91 0.01 4.18 3.32 -0.85 -0.02 116.42 123.96 2f3r h ASP 178 Ca -0.00 -0.52 -0.00 0.00 0.02 0.00 0.00 57.03 56.53 2f3r h ASP 178 Cb 0.91 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2f3r h ASP 178 CO 0.04 1.25 -0.00 0.25 -1.72 0.00 0.00 179.24 179.06 2f3r h LEU 179 N 0.59 -0.01 -1.16 1.55 6.46 -1.26 -0.91 115.31 120.58 2f3r h LEU 179 Ca 0.03 -0.23 0.10 0.00 -0.12 0.00 0.00 57.88 57.66 2f3r h LEU 179 Cb 1.06 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.92 2f3r h LEU 179 CO 0.11 0.23 0.59 0.11 -0.62 0.00 0.00 178.44 178.85 2f3r h LYS 180 N -0.25 0.89 -0.42 1.25 1.57 -1.31 -1.95 116.57 116.35 2f3r h LYS 180 Ca -0.00 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 2f3r h LYS 180 Cb 0.24 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2f3r h LYS 180 CO 0.00 0.59 -0.07 1.15 -0.57 0.00 0.00 179.45 180.55 2f3r h THR 181 N 0.91 1.27 -0.39 -0.16 2.02 -0.71 -1.80 112.91 114.05 2f3r h THR 181 Ca 0.43 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 2f3r h THR 181 Cb 0.43 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 2f3r h THR 181 CO -0.20 0.39 0.20 0.40 0.37 0.00 0.00 175.52 176.68 2f3r h ILE 182 N 0.62 1.17 -0.11 3.11 2.04 -0.45 -0.34 117.51 123.55 2f3r h ILE 182 Ca 0.11 -0.46 -0.09 0.00 1.00 0.00 0.00 64.86 65.43 2f3r h ILE 182 Cb 0.59 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 2f3r h ILE 182 CO 0.04 0.18 -0.33 0.40 0.00 0.00 0.00 178.15 178.44 2f3r h ILE 183 N 0.50 1.27 -0.14 -0.67 2.04 -1.36 -0.93 117.51 118.22 2f3r h ILE 183 Ca 0.14 -1.28 -0.19 0.00 1.00 0.00 0.00 64.86 64.53 2f3r h ILE 183 Cb 0.10 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2f3r h ILE 183 CO -0.02 0.38 -0.68 -0.09 0.00 0.00 0.00 178.15 177.75 2f3r h ARG 184 N 0.18 0.57 -0.19 2.37 2.43 -0.99 -2.74 114.38 116.01 2f3r h ARG 184 Ca 0.02 -0.42 -0.18 0.00 -0.81 0.00 0.00 59.98 58.59 2f3r h ARG 184 Cb 0.67 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2f3r h ARG 184 CO 0.05 1.05 -0.62 0.00 -1.51 0.00 0.00 179.97 178.94 2f3r h ALA 185 N 0.84 0.55 0.00 2.80 0.00 -0.84 -2.78 119.26 119.84 2f3r h ALA 185 Ca -0.02 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 2f3r h ALA 185 Cb 1.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2f3r h ALA 185 CO 0.13 0.70 -0.18 0.93 0.00 0.00 0.00 179.25 180.83 2f3r h GLU 186 N 0.49 0.00 0.00 0.00 4.39 -1.13 -0.99 114.58 117.34 2f3r h GLU 186 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2f3r h GLU 186 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2f3r h GLU 186 CO 0.12 0.18 -0.00 0.54 -1.16 0.00 0.00 179.01 178.69 2f3r n ARG 187 N -4.17 0.20 -0.06 2.33 1.74 -1.04 -2.56 116.66 113.09 2f3r n ARG 187 Ca -0.02 0.17 0.11 0.00 -0.77 0.00 0.00 57.85 57.34 2f3r n ARG 187 Cb 0.25 -1.74 0.40 0.00 -1.02 0.00 0.00 32.46 30.35 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 -2.09 1.73 -4.77 0.55 4.77 -0.38 -4.20 117.00 112.61 2f3r n LEU 188 Ca 0.06 -0.69 -0.39 0.00 -0.03 0.00 0.00 56.01 54.96 2f3r n LEU 188 Cb 0.41 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 2f3r n LEU 188 CO 0.30 0.35 0.82 -0.13 -1.33 0.00 0.00 177.39 177.39 2f3r s ARG 189 N -1.83 4.27 0.16 3.23 0.52 -1.06 -4.82 118.95 119.42 2f3r s ARG 189 Ca 0.34 1.81 -0.29 0.00 -0.52 0.00 0.00 55.73 57.07 2f3r s ARG 189 Cb 0.19 -2.84 -0.03 0.00 0.52 0.00 0.00 34.95 32.79 2f3r s ARG 189 CO 0.28 -0.13 1.55 1.98 0.02 0.00 0.00 175.30 179.00 2f3r h MET 190 N 3.01 -0.15 -0.87 3.54 1.85 -1.90 -0.13 114.93 120.28 2f3r h MET 190 Ca -0.48 0.01 0.14 0.00 -0.61 0.00 0.00 59.70 58.76 2f3r h MET 190 Cb 1.22 0.03 -0.09 0.00 0.43 0.00 0.00 31.60 33.20 2f3r h MET 190 CO 0.64 -0.10 0.46 0.77 -0.40 0.00 0.00 176.91 178.28 2f3r h SER 191 N -0.16 0.59 -0.01 1.39 0.02 -1.96 0.57 113.55 113.99 2f3r h SER 191 Ca 0.16 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2f3r h SER 191 Cb 0.51 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 2f3r h SER 191 CO -0.80 0.26 -0.01 -0.09 -1.14 0.00 0.00 176.83 175.04 2f3r h ARG 192 N 0.67 0.02 -0.87 3.45 9.65 -1.71 -3.28 114.38 122.32 2f3r h ARG 192 Ca 0.47 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.32 2f3r h ARG 192 Cb 0.63 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.17 2f3r h ARG 192 CO -0.35 0.57 0.49 1.96 2.80 0.00 0.00 179.97 185.44 2f3r h GLN 193 N -0.52 1.22 -0.57 0.20 1.08 -0.47 -2.75 115.11 113.29 2f3r h GLN 193 Ca 0.00 -0.14 0.12 0.00 -1.45 0.00 0.00 58.65 57.18 2f3r h GLN 193 Cb 0.57 -0.24 -0.11 0.00 -0.05 0.00 0.00 27.48 27.65 2f3r h GLN 193 CO 0.00 0.89 -0.12 0.87 -0.95 0.00 0.00 178.83 179.51 2f3r h LYS 194 N 1.22 0.01 0.26 1.46 1.57 0.06 -1.40 116.57 119.76 2f3r h LYS 194 Ca 0.31 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 2f3r h LYS 194 Cb 0.02 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2f3r h LYS 194 CO -0.05 0.01 -0.12 1.96 -0.57 0.00 0.00 179.45 180.67 2f3r h GLN 195 N 0.01 -0.34 0.00 3.15 4.20 -1.56 -2.23 115.11 118.36 2f3r h GLN 195 Ca 0.28 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.01 2f3r h GLN 195 Cb 0.43 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2f3r h GLN 195 CO -0.58 -0.22 0.05 0.54 -0.67 0.00 0.00 178.83 177.95 2f3r n ARG 196 N -3.14 0.01 -0.20 1.46 1.74 -1.06 -0.28 116.66 115.18 2f3r n ARG 196 Ca -0.04 0.47 0.08 0.00 -0.77 0.00 0.00 57.85 57.59 2f3r n ARG 196 Cb 0.14 -1.58 0.14 0.00 -1.02 0.00 0.00 32.46 30.13 2f3r n ARG 196 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2f3r n HIS 197 N -1.51 0.00 -1.94 -1.55 8.25 -0.53 -5.03 115.22 112.90 2f3r n HIS 197 Ca -0.00 -0.98 -0.42 0.00 -0.26 0.00 0.00 57.72 56.07 2f3r n HIS 197 Cb 0.05 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 30.98 2f3r n HIS 197 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2f3r s ASP 198 N -2.75 6.58 -0.37 0.41 -1.08 0.62 -3.13 116.67 116.95 2f3r s ASP 198 Ca 0.30 2.70 -0.00 0.00 -0.52 0.00 0.00 52.55 55.02 2f3r s ASP 198 Cb 0.27 -2.61 -0.01 0.00 -1.46 0.00 0.00 42.92 39.11 2f3r s ASP 198 CO 0.01 -0.78 0.31 0.00 0.52 0.00 0.00 175.17 175.23 2f3r n ALA 199 N 2.91 -0.75 0.00 3.66 0.00 -1.26 -4.80 120.51 120.27 2f3r n ALA 199 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2f3r n ALA 199 Cb 0.39 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2f3r n ALA 199 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2f3r n LEU 200 N -2.00 0.00 0.10 0.00 4.77 -1.18 -4.64 117.00 114.05 2f3r n LEU 200 Ca -0.08 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.92 2f3r n LEU 200 Cb 0.55 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 2f3r n LEU 200 CO 0.19 0.00 0.20 0.40 -1.33 0.00 0.00 177.39 176.85 2f3r h ILE 201 N 0.00 0.79 0.08 -0.08 2.04 -1.87 -1.59 117.51 116.89 2f3r h ILE 201 Ca 0.00 -2.21 -0.28 0.00 1.00 0.00 0.00 64.86 63.37 2f3r h ILE 201 Cb 0.00 2.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 2f3r h ILE 201 CO 0.00 0.45 -1.39 0.28 0.00 0.00 0.00 178.15 177.49 2f3r h SER 202 N 0.00 0.27 -0.10 1.72 0.02 -1.88 -3.26 113.55 110.33 2f3r h SER 202 Ca -0.06 -0.36 -0.18 0.00 -0.84 0.00 0.00 61.79 60.36 2f3r h SER 202 Cb 1.47 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.92 2f3r h SER 202 CO 0.06 1.29 -0.60 0.11 -1.14 0.00 0.00 176.83 176.55 2f3r h LYS 203 N 0.05 0.70 0.00 3.45 1.79 -1.82 -3.50 116.57 117.24 2f3r h LYS 203 Ca -0.18 -0.47 0.00 0.00 -2.18 0.00 0.00 60.65 57.82 2f3r h LYS 203 Cb 1.96 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.67 2f3r h LYS 203 CO 0.15 1.10 0.00 1.28 -1.08 0.00 0.00 179.45 180.90