#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f1r s ILE 4 N 0.00 2.96 -0.13 1.96 1.01 -1.26 -1.00 121.20 124.74 2f1r s ILE 4 Ca 0.00 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.03 2f1r s ILE 4 Cb 0.00 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.17 2f1r s ILE 4 CO 0.00 0.47 -0.22 -0.22 0.00 0.00 0.00 174.94 174.97 2f1r s LEU 5 N 1.21 2.09 0.03 2.97 2.96 0.21 -4.45 118.68 123.70 2f1r s LEU 5 Ca 0.02 -0.59 -0.19 0.00 -0.22 0.00 0.00 54.13 53.15 2f1r s LEU 5 Cb -0.14 -1.42 -0.06 0.00 0.50 0.00 0.00 46.19 45.06 2f1r s LEU 5 CO -0.04 0.09 0.54 -0.44 -1.32 0.00 0.00 176.35 175.19 2f1r s SER 6 N 0.74 6.98 -0.37 3.68 0.01 -0.74 -0.98 113.70 123.02 2f1r s SER 6 Ca -0.09 1.17 -0.09 0.00 1.31 0.00 0.00 55.95 58.25 2f1r s SER 6 Cb -0.16 -2.34 0.05 0.00 0.21 0.00 0.00 66.02 63.78 2f1r s SER 6 CO 0.00 0.23 0.18 -0.63 0.41 0.00 0.00 173.24 173.43 2f1r s ILE 7 N -0.79 4.16 0.35 1.44 -1.09 0.14 -1.13 121.20 124.28 2f1r s ILE 7 Ca 0.28 -1.11 0.09 0.00 -2.23 0.00 0.00 60.65 57.68 2f1r s ILE 7 Cb -0.19 -3.40 -0.06 0.00 -1.58 0.00 0.00 42.46 37.23 2f1r s ILE 7 CO 0.17 -0.28 -0.07 0.68 -1.23 0.00 0.00 174.94 174.21 2f1r s VAL 8 N 1.46 2.30 -5.00 2.92 -7.23 -0.56 -1.09 120.40 113.19 2f1r s VAL 8 Ca 0.01 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.03 2f1r s VAL 8 Cb -0.20 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 34.04 2f1r s VAL 8 CO 0.04 -0.19 0.00 0.61 -0.31 0.00 0.00 175.10 175.25 2f1r n GLY 9 N -0.84 0.52 0.02 2.32 0.00 -1.26 -0.04 105.19 105.91 2f1r n GLY 9 Ca -0.05 -1.66 0.11 0.00 0.00 0.00 0.00 46.02 44.43 2f1r n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2f1r n THR 10 N 9.00 0.10 -3.85 2.61 -2.24 -0.96 -4.76 114.28 114.18 2f1r n THR 10 Ca 0.00 -0.16 -0.35 0.00 -2.27 0.00 0.00 64.05 61.27 2f1r n THR 10 Cb 0.00 0.37 -0.13 0.00 -2.10 0.00 0.00 70.33 68.47 2f1r n THR 10 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2f1r s SER 11 N -3.59 5.05 0.24 3.42 0.15 -1.26 -4.97 113.70 112.74 2f1r s SER 11 Ca 0.05 -1.54 -0.04 0.00 0.70 0.00 0.00 55.95 55.13 2f1r s SER 11 Cb 0.15 -1.76 0.44 0.00 -1.71 0.00 0.00 66.02 63.14 2f1r s SER 11 CO 0.80 -0.36 1.75 0.44 1.20 0.00 0.00 173.24 177.07 2f1r h ASP 12 N 8.02 0.41 0.23 5.45 3.32 -1.97 -1.05 116.42 130.84 2f1r h ASP 12 Ca -0.18 0.09 -0.21 0.00 0.02 0.00 0.00 57.03 56.75 2f1r h ASP 12 Cb 1.06 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2f1r h ASP 12 CO 0.59 0.19 -0.82 0.77 -1.72 0.00 0.00 179.24 178.25 2f1r h SER 13 N 0.55 0.56 0.73 6.45 4.64 -1.99 -2.74 113.55 121.74 2f1r h SER 13 Ca 0.41 -0.40 -0.15 0.00 -0.47 0.00 0.00 61.79 61.18 2f1r h SER 13 Cb 0.55 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 2f1r h SER 13 CO -0.35 1.17 -0.71 1.23 -0.87 0.00 0.00 176.83 177.30 2f1r h GLY 14 N 1.16 0.00 0.81 -0.77 0.00 -1.82 -0.68 103.07 101.78 2f1r h GLY 14 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 2f1r h GLY 14 CO 0.14 0.00 -0.01 0.50 0.00 0.00 0.00 176.54 177.18 2f1r h LYS 15 N 0.00 -0.02 -0.67 4.80 1.57 -1.18 -2.17 116.57 118.91 2f1r h LYS 15 Ca -0.01 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2f1r h LYS 15 Cb 1.27 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.56 2f1r h LYS 15 CO 0.09 0.17 0.11 1.15 -0.57 0.00 0.00 179.45 180.41 2f1r h THR 16 N -0.21 1.26 -0.31 -0.16 2.02 -1.37 -1.66 112.91 112.49 2f1r h THR 16 Ca -0.00 -1.03 -0.04 0.00 0.77 0.00 0.00 66.41 66.11 2f1r h THR 16 Cb 0.20 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2f1r h THR 16 CO 0.00 0.39 0.05 0.74 0.37 0.00 0.00 175.52 177.07 2f1r h THR 17 N 1.03 1.24 -0.55 3.16 2.02 -1.16 -2.32 112.91 116.32 2f1r h THR 17 Ca 0.20 -0.82 0.05 0.00 0.77 0.00 0.00 66.41 66.62 2f1r h THR 17 Cb 0.43 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.96 2f1r h THR 17 CO 0.01 0.27 0.28 0.25 0.37 0.00 0.00 175.52 176.70 2f1r h LEU 18 N 0.34 0.39 -0.37 2.58 5.85 -1.00 -1.73 115.31 121.37 2f1r h LEU 18 Ca 0.09 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.87 2f1r h LEU 18 Cb 0.35 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2f1r h LEU 18 CO 0.01 0.26 0.21 0.40 -0.34 0.00 0.00 178.44 178.98 2f1r h ILE 19 N 0.53 1.02 -0.05 4.05 2.04 -1.13 -0.94 117.51 123.03 2f1r h ILE 19 Ca 0.25 -0.15 -0.23 0.00 1.00 0.00 0.00 64.86 65.73 2f1r h ILE 19 Cb 0.17 0.56 0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2f1r h ILE 19 CO -0.18 0.08 -0.90 0.71 0.00 0.00 0.00 178.15 177.86 2f1r h THR 20 N 0.43 1.32 -0.63 -0.27 1.35 -1.29 -0.58 112.91 113.25 2f1r h THR 20 Ca 0.15 -2.21 -0.07 0.00 -0.55 0.00 0.00 66.41 63.73 2f1r h THR 20 Cb 0.02 2.24 -0.03 0.00 -1.73 0.00 0.00 68.15 68.66 2f1r h THR 20 CO -0.08 0.68 0.11 0.03 -0.25 0.00 0.00 175.52 176.01 2f1r h ARG 21 N 0.38 1.02 -0.28 4.72 3.08 -1.30 -3.11 114.38 118.88 2f1r h ARG 21 Ca -0.08 -0.26 -0.16 0.00 0.07 0.00 0.00 59.98 59.55 2f1r h ARG 21 Cb 1.53 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.45 2f1r h ARG 21 CO 0.17 0.93 -0.48 0.52 -1.07 0.00 0.00 179.97 180.04 2f1r h MET 22 N 0.96 0.75 -0.76 0.04 2.86 -0.92 -3.38 114.93 114.47 2f1r h MET 22 Ca 0.19 -0.44 0.11 0.00 -2.06 0.00 0.00 59.70 57.51 2f1r h MET 22 Cb 0.41 0.04 -0.13 0.00 0.06 0.00 0.00 31.60 31.98 2f1r h MET 22 CO 0.01 1.06 -0.41 1.98 1.06 0.00 0.00 176.91 180.61 2f1r h MET 23 N 0.59 -0.11 -0.92 1.72 -1.53 -1.03 -0.25 114.93 113.40 2f1r h MET 23 Ca 0.03 0.01 0.13 0.00 -3.44 0.00 0.00 59.70 56.43 2f1r h MET 23 Cb 1.05 0.03 -0.07 0.00 -0.55 0.00 0.00 31.60 32.05 2f1r h MET 23 CO 0.10 -0.07 0.59 -1.35 0.14 0.00 0.00 176.91 176.32 2f1r h PRO 24 N -0.11 0.75 -0.17 0.39 0.11 -1.75 0.67 132.00 131.90 2f1r h PRO 24 Ca 0.25 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.28 2f1r h PRO 24 Cb 0.56 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 2f1r h PRO 24 CO -0.81 0.50 -0.01 0.82 -0.21 0.00 0.00 178.00 178.28 2f1r h ILE 25 N 0.77 1.27 -0.38 4.15 5.03 -1.31 -0.90 117.51 126.15 2f1r h ILE 25 Ca 0.46 -0.90 0.05 0.00 -0.12 0.00 0.00 64.86 64.34 2f1r h ILE 25 Cb 0.64 1.54 -0.05 0.00 -3.03 0.00 0.00 36.82 35.92 2f1r h ILE 25 CO -0.22 0.27 0.10 -0.07 -0.68 0.00 0.00 178.15 177.55 2f1r h LEU 26 N 0.03 0.07 -0.83 1.44 3.38 -0.76 -2.96 115.31 115.68 2f1r h LEU 26 Ca 0.05 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2f1r h LEU 26 Cb 0.41 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2f1r h LEU 26 CO 0.01 0.08 -0.01 0.03 0.09 0.00 0.00 178.44 178.64 2f1r h ARG 27 N 0.24 0.86 -0.26 1.13 2.47 -0.85 -2.76 114.38 115.21 2f1r h ARG 27 Ca 0.18 -0.25 0.08 0.00 -1.26 0.00 0.00 59.98 58.73 2f1r h ARG 27 Cb 0.18 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 2f1r h ARG 27 CO -0.21 0.87 0.29 0.93 0.56 0.00 0.00 179.97 182.41 2f1r h GLU 28 N 0.80 0.00 -0.82 0.04 3.07 -0.99 0.59 114.58 117.27 2f1r h GLU 28 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 2f1r h GLU 28 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 2f1r h GLU 28 CO 0.02 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.17 2f1r n ARG 29 N -3.77 1.00 -2.70 2.33 5.12 -1.04 -4.84 116.66 112.75 2f1r n ARG 29 Ca 0.04 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.82 2f1r n ARG 29 Cb 0.43 -1.41 -0.01 0.00 -1.16 0.00 0.00 32.46 30.32 2f1r n ARG 29 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2f1r n GLY 30 N 0.09 -0.50 3.72 -0.13 0.00 0.21 -4.94 105.19 103.64 2f1r n GLY 30 Ca 0.00 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2f1r n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f1r s LEU 31 N -5.74 4.42 -0.31 0.99 2.01 -1.20 -5.04 118.68 113.81 2f1r s LEU 31 Ca 0.11 1.79 -0.29 0.00 0.01 0.00 0.00 54.13 55.74 2f1r s LEU 31 Cb -0.06 -3.58 0.01 0.00 0.01 0.00 0.00 46.19 42.58 2f1r s LEU 31 CO 0.13 -0.22 1.10 -0.13 1.01 0.00 0.00 176.35 178.24 2f1r s ARG 32 N 0.57 4.06 -0.03 1.70 0.52 -1.26 -4.38 118.95 120.13 2f1r s ARG 32 Ca 0.51 1.11 0.07 0.00 -0.52 0.00 0.00 55.73 56.90 2f1r s ARG 32 Cb -0.24 -3.75 -0.02 0.00 0.52 0.00 0.00 34.95 31.46 2f1r s ARG 32 CO 0.29 -0.91 -0.23 0.08 0.02 0.00 0.00 175.30 174.55 2f1r s VAL 33 N 3.71 2.29 0.02 3.52 1.01 -1.26 -1.35 120.40 128.34 2f1r s VAL 33 Ca 0.47 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 61.50 2f1r s VAL 33 Cb -0.13 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 2f1r s VAL 33 CO 0.16 0.58 -0.20 0.00 0.00 0.00 0.00 175.10 175.64 2f1r s ALA 34 N -0.56 1.72 -0.17 5.51 0.00 -0.84 -5.03 121.76 122.39 2f1r s ALA 34 Ca 0.08 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 2f1r s ALA 34 Cb -0.11 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 2f1r s ALA 34 CO 0.00 0.40 -0.06 0.08 0.00 0.00 0.00 175.76 176.18 2f1r s VAL 35 N -0.70 3.55 -0.24 0.00 1.01 -1.25 -0.34 120.40 122.43 2f1r s VAL 35 Ca 0.07 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 2f1r s VAL 35 Cb -0.08 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 2f1r s VAL 35 CO 0.01 0.47 0.11 -0.69 0.00 0.00 0.00 175.10 175.00 2f1r s VAL 36 N 0.74 4.80 0.07 2.92 1.01 0.16 -4.98 120.40 125.12 2f1r s VAL 36 Ca -0.03 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.97 2f1r s VAL 36 Cb -0.15 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 2f1r s VAL 36 CO 0.02 0.35 -0.09 -1.59 0.00 0.00 0.00 175.10 173.79 2f1r s LYS 37 N 1.26 0.70 -0.63 2.72 -2.85 -1.26 -0.61 119.74 119.07 2f1r s LYS 37 Ca 0.06 -0.97 -0.23 0.00 -1.00 0.00 0.00 55.97 53.83 2f1r s LYS 37 Cb -0.14 -0.44 0.06 0.00 -2.06 0.00 0.00 37.83 35.25 2f1r s LYS 37 CO 0.05 0.07 0.97 1.03 0.10 0.00 0.00 175.35 177.57 2f1r s ARG 38 N -2.21 3.18 0.00 1.78 1.81 -1.26 -5.03 118.95 117.22 2f1r s ARG 38 Ca -0.02 -0.63 0.11 0.00 -1.72 0.00 0.00 55.73 53.47 2f1r s ARG 38 Cb -0.06 -4.17 0.15 0.00 -0.45 0.00 0.00 34.95 30.42 2f1r s ARG 38 CO -0.00 -1.73 0.97 1.17 -0.68 0.00 0.00 175.30 175.03 2f1r n LYS 51 N 7.71 1.25 0.04 3.54 3.00 -1.26 -5.21 118.16 127.23 2f1r n LYS 51 Ca -0.02 -1.43 -0.10 0.00 -0.00 0.00 0.00 58.31 56.76 2f1r n LYS 51 Cb 0.46 -1.23 0.03 0.00 0.00 0.00 0.00 35.03 34.30 2f1r n LYS 51 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2f1r h ASP 52 N 2.13 0.50 -0.03 3.14 3.32 -2.05 -2.55 116.42 120.87 2f1r h ASP 52 Ca 0.00 -0.32 -0.12 0.00 0.02 0.00 0.00 57.03 56.61 2f1r h ASP 52 Cb 0.54 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2f1r h ASP 52 CO 0.00 1.05 -0.36 0.77 -1.72 0.00 0.00 179.24 178.99 2f1r h SER 53 N 0.30 0.54 -0.20 6.45 4.64 -2.03 0.12 113.55 123.38 2f1r h SER 53 Ca -0.03 -0.22 0.02 0.00 -0.47 0.00 0.00 61.79 61.09 2f1r h SER 53 Cb 1.27 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 2f1r h SER 53 CO 0.12 0.86 0.06 -0.25 -0.87 0.00 0.00 176.83 176.75 2f1r h TRP 54 N 0.44 0.11 -0.32 4.77 7.01 -1.97 0.31 115.95 126.30 2f1r h TRP 54 Ca 0.05 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.07 2f1r h TRP 54 Cb 0.83 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.84 2f1r h TRP 54 CO 0.03 0.05 0.17 0.87 -2.79 0.00 0.00 178.44 176.77 2f1r h LYS 55 N 0.15 0.35 -0.07 2.65 1.57 -1.00 -0.03 116.57 120.19 2f1r h LYS 55 Ca 0.09 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2f1r h LYS 55 Cb 0.06 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 2f1r h LYS 55 CO -0.10 0.23 0.04 0.82 -0.57 0.00 0.00 179.45 179.87 2f1r h ILE 56 N 0.36 1.07 -0.38 1.86 2.04 -0.65 -1.87 117.51 119.93 2f1r h ILE 56 Ca 0.13 -0.18 0.08 0.00 1.00 0.00 0.00 64.86 65.88 2f1r h ILE 56 Cb 0.02 1.06 -0.08 0.00 -0.74 0.00 0.00 36.82 37.08 2f1r h ILE 56 CO -0.07 0.06 -0.16 0.22 0.00 0.00 0.00 178.15 178.19 2f1r h TYR 57 N 0.04 -0.40 -0.43 1.37 3.20 -0.19 -1.99 116.97 118.57 2f1r h TYR 57 Ca 0.03 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.99 2f1r h TYR 57 Cb 0.06 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 2f1r h TYR 57 CO -0.05 -0.24 0.29 -0.91 -1.64 0.00 0.00 178.16 175.61 2f1r h ASN 58 N -0.09 0.32 0.70 -2.11 4.21 -0.82 -1.54 115.58 116.25 2f1r h ASN 58 Ca 0.19 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.70 2f1r h ASN 58 Cb 0.38 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 2f1r h ASN 58 CO -0.44 0.21 0.00 -1.54 -1.29 0.00 0.00 177.43 174.37 2f1r n SER 59 N -4.48 0.20 0.00 5.81 3.41 -0.72 -4.85 113.62 112.99 2f1r n SER 59 Ca 0.05 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 2f1r n SER 59 Cb 0.24 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 2f1r n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f1r n GLY 60 N 0.35 1.24 3.88 5.00 0.00 -0.58 -5.10 105.19 109.97 2f1r n GLY 60 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2f1r n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f1r s ALA 61 N -2.00 3.86 0.51 4.61 0.00 -1.14 -5.05 121.76 122.54 2f1r s ALA 61 Ca 0.00 -0.59 -0.19 0.00 0.00 0.00 0.00 51.96 51.18 2f1r s ALA 61 Cb 0.00 -2.03 -0.08 0.00 0.00 0.00 0.00 23.12 21.01 2f1r s ALA 61 CO 0.00 0.62 1.04 -0.51 0.00 0.00 0.00 175.76 176.91 2f1r s ASP 62 N -1.29 6.24 -0.06 0.00 1.01 -1.26 -3.92 116.67 117.39 2f1r s ASP 62 Ca 0.20 1.89 0.03 0.00 0.71 0.00 0.00 52.55 55.39 2f1r s ASP 62 Cb -0.13 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.25 2f1r s ASP 62 CO 0.10 -0.85 -0.15 -0.69 0.21 0.00 0.00 175.17 173.79 2f1r s VAL 63 N -2.09 1.31 -0.19 -1.27 1.01 -0.12 -4.95 120.40 114.10 2f1r s VAL 63 Ca 0.66 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 2f1r s VAL 63 Cb -0.16 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 2f1r s VAL 63 CO 0.24 0.39 -0.08 -0.69 0.00 0.00 0.00 175.10 174.95 2f1r s VAL 64 N 0.39 3.15 -0.34 2.92 1.01 -1.26 -0.87 120.40 125.39 2f1r s VAL 64 Ca -0.11 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 2f1r s VAL 64 Cb -0.14 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.85 2f1r s VAL 64 CO 0.04 0.47 0.19 -0.63 0.00 0.00 0.00 175.10 175.16 2f1r s ILE 65 N 1.11 4.68 -0.08 2.22 1.01 0.33 -4.97 121.20 125.50 2f1r s ILE 65 Ca 0.01 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 2f1r s ILE 65 Cb -0.15 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 2f1r s ILE 65 CO -0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 174.94 174.81 2f1r s ALA 66 N 1.60 3.11 0.23 9.38 0.00 -1.26 -1.39 121.76 133.44 2f1r s ALA 66 Ca 0.04 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 2f1r s ALA 66 Cb -0.18 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 2f1r s ALA 66 CO 0.07 0.56 0.27 -1.54 0.00 0.00 0.00 175.76 175.12 2f1r s SER 67 N -0.78 0.22 0.45 0.00 1.04 -0.62 -5.02 113.70 109.00 2f1r s SER 67 Ca 0.12 -1.28 0.14 0.00 0.48 0.00 0.00 55.95 55.41 2f1r s SER 67 Cb -0.11 0.47 1.01 0.00 0.10 0.00 0.00 66.02 67.50 2f1r s SER 67 CO 0.02 -0.98 2.01 -0.65 0.98 0.00 0.00 173.24 174.62 2f1r h PRO 68 N 2.44 0.03 0.00 4.02 0.11 -2.06 -3.27 132.00 133.27 2f1r h PRO 68 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2f1r h PRO 68 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2f1r h PRO 68 CO 0.46 0.18 0.00 1.33 -0.21 0.00 0.00 178.00 179.75 2f1r n VAL 69 N -4.35 0.31 -3.79 3.15 0.24 -1.26 -5.06 118.33 107.57 2f1r n VAL 69 Ca -0.02 -0.54 -0.13 0.00 -2.04 0.00 0.00 64.34 61.62 2f1r n VAL 69 Cb 0.22 0.99 -0.12 0.00 -1.47 0.00 0.00 33.84 33.46 2f1r n VAL 69 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2f1r s LYS 70 N -0.31 0.25 -0.02 7.34 2.20 -1.24 -5.16 119.74 122.81 2f1r s LYS 70 Ca 0.00 0.32 0.02 0.00 -0.36 0.00 0.00 55.97 55.95 2f1r s LYS 70 Cb 0.00 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 2f1r s LYS 70 CO 0.00 -0.04 -0.07 -1.17 -0.36 0.00 0.00 175.35 173.71 2f1r s LEU 71 N 0.19 1.79 -0.11 5.43 0.20 -1.26 -1.59 118.68 123.33 2f1r s LEU 71 Ca -0.01 -0.14 0.03 0.00 0.69 0.00 0.00 54.13 54.70 2f1r s LEU 71 Cb -0.02 -0.42 0.01 0.00 -0.43 0.00 0.00 46.19 45.32 2f1r s LEU 71 CO -0.00 0.05 -0.20 0.00 -0.29 0.00 0.00 176.35 175.91 2f1r s ALA 72 N 0.18 1.95 -0.21 5.97 0.00 -0.49 -4.99 121.76 124.18 2f1r s ALA 72 Ca -0.02 -0.87 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 2f1r s ALA 72 Cb -0.07 -0.83 -0.00 0.00 0.00 0.00 0.00 23.12 22.22 2f1r s ALA 72 CO 0.00 0.09 -0.08 0.12 0.00 0.00 0.00 175.76 175.89 2f1r s PHE 73 N 0.68 2.92 -0.17 0.00 5.36 -1.26 -0.51 117.98 125.00 2f1r s PHE 73 Ca -0.12 -1.12 0.01 0.00 -0.96 0.00 0.00 56.93 54.73 2f1r s PHE 73 Cb -0.16 -2.06 0.01 0.00 -0.34 0.00 0.00 43.02 40.46 2f1r s PHE 73 CO 0.03 -0.61 -0.18 0.42 -1.46 0.00 0.00 175.22 173.41 2f1r s ILE 74 N 1.43 2.33 -0.07 3.12 1.01 -0.05 -5.01 121.20 123.96 2f1r s ILE 74 Ca 0.05 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.73 2f1r s ILE 74 Cb -0.14 -1.98 0.02 0.00 0.01 0.00 0.00 42.46 40.37 2f1r s ILE 74 CO -0.05 0.52 0.28 0.00 0.00 0.00 0.00 174.94 175.69 2f1r s ARG 75 N 1.09 0.44 0.21 2.79 1.70 -1.26 -0.94 118.95 122.99 2f1r s ARG 75 Ca -0.00 0.17 -0.30 0.00 -0.47 0.00 0.00 55.73 55.13 2f1r s ARG 75 Cb -0.14 0.20 -0.10 0.00 -0.57 0.00 0.00 34.95 34.35 2f1r s ARG 75 CO -0.06 -0.09 1.43 -0.98 -1.08 0.00 0.00 175.30 174.52 2f1r s ARG 76 N -0.38 4.29 0.17 3.89 1.70 -1.26 -5.05 118.95 122.30 2f1r s ARG 76 Ca -0.05 2.24 0.08 0.00 -0.47 0.00 0.00 55.73 57.53 2f1r s ARG 76 Cb -0.03 -3.15 -0.04 0.00 -0.57 0.00 0.00 34.95 31.16 2f1r s ARG 76 CO 0.02 -0.42 -0.16 0.14 -1.08 0.00 0.00 175.30 173.79 2f1r s VAL 77 N 0.31 1.68 0.77 4.99 -7.23 -1.26 -5.12 120.40 114.54 2f1r s VAL 77 Ca 0.61 -1.96 -0.13 0.00 -1.81 0.00 0.00 61.98 58.69 2f1r s VAL 77 Cb -0.41 -1.83 0.06 0.00 0.56 0.00 0.00 36.38 34.76 2f1r s VAL 77 CO 0.39 -0.43 1.14 -0.94 -0.31 0.00 0.00 175.10 174.96 2f1r s SER 78 N -2.81 4.17 0.37 4.85 1.04 -1.26 -4.89 113.70 115.16 2f1r s SER 78 Ca 0.16 2.11 0.09 0.00 0.48 0.00 0.00 55.95 58.79 2f1r s SER 78 Cb -0.04 -2.56 0.82 0.00 0.10 0.00 0.00 66.02 64.35 2f1r s SER 78 CO 0.06 -2.27 1.93 1.05 0.98 0.00 0.00 173.24 174.99 2f1r h GLU 79 N -0.80 0.65 -0.34 4.02 -0.00 -2.01 -2.36 114.58 113.73 2f1r h GLU 79 Ca -0.45 -0.04 -0.17 0.00 -0.00 0.00 0.00 59.36 58.69 2f1r h GLU 79 Cb 1.26 -0.15 -0.00 0.00 -0.00 0.00 0.00 28.75 29.86 2f1r h GLU 79 CO 0.49 0.43 -0.46 1.05 -0.00 0.00 0.00 179.01 180.52 2f1r h GLU 80 N 0.67 0.92 -0.72 1.06 4.11 -1.98 -2.43 114.58 116.21 2f1r h GLU 80 Ca 0.36 -0.53 0.05 0.00 0.07 0.00 0.00 59.36 59.31 2f1r h GLU 80 Cb 0.49 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 2f1r h GLU 80 CO -0.13 1.17 0.43 0.93 0.07 0.00 0.00 179.01 181.49 2f1r h GLU 81 N 0.73 0.80 0.00 1.06 5.08 -1.84 -2.39 114.58 118.02 2f1r h GLU 81 Ca 0.04 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2f1r h GLU 81 Cb 1.07 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2f1r h GLU 81 CO 0.11 0.53 -0.24 0.78 -1.00 0.00 0.00 179.01 179.19 2f1r h GLY 82 N 0.82 0.00 0.28 -3.84 0.00 -1.32 -2.73 103.07 96.28 2f1r h GLY 82 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2f1r h GLY 82 CO -0.14 0.00 -0.16 0.70 0.00 0.00 0.00 176.54 176.94 2f1r n ASN 83 N -3.36 0.95 -4.21 0.19 5.03 -0.92 -4.82 115.26 108.13 2f1r n ASN 83 Ca 0.00 -0.95 -0.40 0.00 0.87 0.00 0.00 54.58 54.11 2f1r n ASN 83 Cb 0.46 0.05 -0.09 0.00 -1.02 0.00 0.00 39.78 39.18 2f1r n ASN 83 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2f1r s ASP 84 N -2.37 5.66 0.40 6.41 -1.08 -0.94 -4.95 116.67 119.80 2f1r s ASP 84 Ca 0.29 -1.90 0.07 0.00 -0.52 0.00 0.00 52.55 50.50 2f1r s ASP 84 Cb 0.20 -1.99 0.84 0.00 -1.46 0.00 0.00 42.92 40.51 2f1r s ASP 84 CO 0.46 -0.67 2.02 -0.07 0.52 0.00 0.00 175.17 177.44 2f1r h LEU 85 N 8.41 0.52 -0.38 -1.34 3.38 -1.87 -1.40 115.31 122.62 2f1r h LEU 85 Ca -0.20 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.57 2f1r h LEU 85 Cb 1.07 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 2f1r h LEU 85 CO 0.84 0.36 -0.64 0.44 0.09 0.00 0.00 178.44 179.53 2f1r h ASP 86 N 0.60 0.72 -0.70 -0.43 3.32 -1.95 0.60 116.42 118.58 2f1r h ASP 86 Ca 0.21 -0.42 -0.04 0.00 0.02 0.00 0.00 57.03 56.80 2f1r h ASP 86 Cb 0.08 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 2f1r h ASP 86 CO -0.05 1.17 0.28 -0.25 -1.72 0.00 0.00 179.24 178.67 2f1r h TRP 87 N 0.46 1.06 0.07 4.55 7.01 -1.82 -1.43 115.95 125.86 2f1r h TRP 87 Ca -0.01 -0.08 -0.00 0.00 2.11 0.00 0.00 58.89 60.91 2f1r h TRP 87 Cb 1.21 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 27.96 2f1r h TRP 87 CO 0.06 0.82 -0.04 0.82 -2.79 0.00 0.00 178.44 177.31 2f1r h ILE 88 N 0.99 1.12 -0.63 2.65 2.04 -1.06 -2.73 117.51 119.89 2f1r h ILE 88 Ca 0.23 -0.69 0.12 0.00 1.00 0.00 0.00 64.86 65.53 2f1r h ILE 88 Cb 0.21 1.56 -0.12 0.00 -0.74 0.00 0.00 36.82 37.73 2f1r h ILE 88 CO -0.02 0.17 -0.21 0.22 0.00 0.00 0.00 178.15 178.31 2f1r h TYR 89 N -0.41 -0.51 -0.30 1.37 3.20 -0.85 -1.62 116.97 117.84 2f1r h TYR 89 Ca -0.01 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2f1r h TYR 89 Cb 0.35 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 2f1r h TYR 89 CO 0.03 -0.31 0.20 0.93 -1.64 0.00 0.00 178.16 177.36 2f1r h GLU 90 N -0.05 0.40 -0.04 1.82 4.39 -1.20 0.16 114.58 120.06 2f1r h GLU 90 Ca 0.29 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.85 2f1r h GLU 90 Cb 0.51 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2f1r h GLU 90 CO -0.68 0.27 -0.51 0.00 -1.16 0.00 0.00 179.01 176.93 2f1r h ARG 91 N 0.41 0.09 0.00 2.33 2.47 -1.29 -3.41 114.38 114.98 2f1r h ARG 91 Ca 0.11 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 2f1r h ARG 91 Cb -0.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.28 2f1r h ARG 91 CO -0.02 0.59 -0.57 0.66 0.56 0.00 0.00 179.97 181.18 2f1r n TYR 92 N -3.94 0.00 -0.15 3.04 4.01 -0.63 -4.92 117.16 114.58 2f1r n TYR 92 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2f1r n TYR 92 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 2f1r n TYR 92 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2f1r n LEU 93 N -1.29 1.48 0.06 7.72 4.77 0.53 -4.76 117.00 125.50 2f1r n LEU 93 Ca 0.00 -1.48 0.08 0.00 -0.03 0.00 0.00 56.01 54.58 2f1r n LEU 93 Cb 0.25 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.70 2f1r n LEU 93 CO 0.00 0.37 0.76 -1.54 -1.33 0.00 0.00 177.39 175.65 2f1r n SER 94 N -0.31 0.29 -0.99 -1.43 3.41 -0.96 -2.35 113.62 111.28 2f1r n SER 94 Ca 0.00 0.58 0.08 0.00 -0.26 0.00 0.00 58.87 59.27 2f1r n SER 94 Cb 0.22 -0.64 0.24 0.00 -0.26 0.00 0.00 64.21 63.77 2f1r n SER 94 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2f1r n ASP 95 N -1.83 3.60 -4.85 4.04 5.75 -1.26 -4.97 116.55 117.03 2f1r n ASP 95 Ca 0.02 -2.22 -0.32 0.00 -0.01 0.00 0.00 54.79 52.26 2f1r n ASP 95 Cb 0.16 -0.39 -0.06 0.00 -1.03 0.00 0.00 41.12 39.80 2f1r n ASP 95 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2f1r s TYR 96 N -1.39 3.38 -0.25 2.11 2.02 -0.99 -4.98 117.35 117.25 2f1r s TYR 96 Ca 0.36 1.31 0.18 0.00 -0.37 0.00 0.00 57.07 58.55 2f1r s TYR 96 Cb 0.21 -2.62 0.13 0.00 -0.40 0.00 0.00 41.96 39.28 2f1r s TYR 96 CO 0.20 -0.03 1.40 -0.44 -1.57 0.00 0.00 175.55 175.11 2f1r h ASP 97 N 1.89 0.00 -3.58 2.29 3.32 -1.56 -3.45 116.42 115.34 2f1r h ASP 97 Ca -0.48 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.44 2f1r h ASP 97 Cb 1.18 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.47 2f1r h ASP 97 CO 0.64 0.31 -0.31 -0.22 -1.72 0.00 0.00 179.24 177.93 2f1r s LEU 98 N -6.22 0.33 -0.19 1.55 2.96 -1.14 -4.38 118.68 111.58 2f1r s LEU 98 Ca 0.04 0.77 -0.02 0.00 -0.22 0.00 0.00 54.13 54.70 2f1r s LEU 98 Cb 0.07 1.24 -0.00 0.00 0.50 0.00 0.00 46.19 48.00 2f1r s LEU 98 CO 0.73 -0.16 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.81 2f1r s VAL 99 N 0.74 2.91 -0.14 1.68 1.01 -0.17 -1.98 120.40 124.45 2f1r s VAL 99 Ca -0.04 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 2f1r s VAL 99 Cb -0.06 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2f1r s VAL 99 CO -0.05 0.48 0.07 -0.63 0.00 0.00 0.00 175.10 174.97 2f1r s ILE 100 N 1.23 4.91 -0.17 2.22 1.01 0.53 -0.62 121.20 130.32 2f1r s ILE 100 Ca 0.03 -0.00 -0.07 0.00 0.00 0.00 0.00 60.65 60.60 2f1r s ILE 100 Cb -0.14 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 2f1r s ILE 100 CO -0.05 0.54 0.07 -0.89 0.00 0.00 0.00 174.94 174.61 2f1r s THR 101 N -0.29 4.85 -0.50 2.92 2.01 -0.15 0.35 115.64 124.83 2f1r s THR 101 Ca 0.09 -0.02 -0.15 0.00 0.31 0.00 0.00 61.69 61.92 2f1r s THR 101 Cb -0.12 -3.17 0.09 0.00 0.01 0.00 0.00 72.50 69.32 2f1r s THR 101 CO 0.01 0.49 0.43 -0.70 -0.69 0.00 0.00 174.62 174.16 2f1r s GLU 102 N 0.14 2.97 3.41 4.92 2.12 0.22 0.27 118.70 132.75 2f1r s GLU 102 Ca 0.05 -1.49 0.00 0.00 0.36 0.00 0.00 54.97 53.89 2f1r s GLU 102 Cb -0.12 -4.18 0.00 0.00 0.26 0.00 0.00 34.13 30.08 2f1r s GLU 102 CO 0.00 -1.14 0.00 0.41 -0.54 0.00 0.00 175.26 174.00 2f1r n GLY 103 N 5.21 0.48 3.77 -1.50 0.00 -0.25 -4.32 105.19 108.58 2f1r n GLY 103 Ca -0.13 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 2f1r n GLY 103 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2f1r n PHE 104 N 9.58 -2.00 -0.20 1.61 3.72 -1.26 -4.49 117.46 124.43 2f1r n PHE 104 Ca 0.00 0.73 0.12 0.00 -0.05 0.00 0.00 57.45 58.24 2f1r n PHE 104 Cb 0.00 -3.43 0.42 0.00 -0.94 0.00 0.00 39.48 35.53 2f1r n PHE 104 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2f1r h SER 105 N -1.56 0.55 0.04 4.37 0.87 -1.93 -1.77 113.55 114.11 2f1r h SER 105 Ca -0.53 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 2f1r h SER 105 Cb 1.35 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2f1r h SER 105 CO 0.65 0.31 0.00 0.29 -0.53 0.00 0.00 176.83 177.55 2f1r n LYS 106 N -4.51 0.91 0.00 2.24 4.76 -1.26 -2.58 118.16 117.73 2f1r n LYS 106 Ca 0.14 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.72 2f1r n LYS 106 Cb 0.42 -1.50 0.63 0.00 -1.84 0.00 0.00 35.03 32.74 2f1r n LYS 106 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2f1r n ALA 107 N -1.02 2.34 -1.00 7.82 0.00 -0.67 -4.94 120.51 123.03 2f1r n ALA 107 Ca 0.22 -0.10 -0.00 0.00 0.00 0.00 0.00 53.44 53.56 2f1r n ALA 107 Cb 0.11 -1.47 -0.00 0.00 0.00 0.00 0.00 19.45 18.09 2f1r n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2f1r n GLY 108 N 1.46 0.40 3.75 0.00 0.00 -1.06 -5.03 105.19 104.71 2f1r n GLY 108 Ca 0.08 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2f1r n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f1r s LYS 109 N -0.44 2.89 0.41 1.61 -0.14 -1.26 -4.20 119.74 118.62 2f1r s LYS 109 Ca 0.00 1.81 -0.22 0.00 -1.36 0.00 0.00 55.97 56.19 2f1r s LYS 109 Cb 0.00 -1.92 -0.13 0.00 -1.68 0.00 0.00 37.83 34.10 2f1r s LYS 109 CO 0.00 -1.26 0.43 -0.25 -0.76 0.00 0.00 175.35 173.51 2f1r n ASP 110 N -1.72 -1.38 -3.87 2.83 8.00 -1.26 -4.31 116.55 114.83 2f1r n ASP 110 Ca 0.13 0.89 -0.11 0.00 0.71 0.00 0.00 54.79 56.41 2f1r n ASP 110 Cb 0.50 -1.05 -0.10 0.00 -0.02 0.00 0.00 41.12 40.44 2f1r n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2f1r s ARG 111 N -1.43 0.43 -0.20 -1.24 3.03 0.39 -1.79 118.95 118.14 2f1r s ARG 111 Ca 0.62 -0.33 -0.11 0.00 2.03 0.00 0.00 55.73 57.94 2f1r s ARG 111 Cb -0.62 0.18 -0.05 0.00 -1.03 0.00 0.00 34.95 33.43 2f1r s ARG 111 CO 0.59 -0.10 0.19 0.42 -1.13 0.00 0.00 175.30 175.28 2f1r s ILE 112 N -1.18 5.36 -0.29 4.99 1.01 -0.28 -1.07 121.20 129.74 2f1r s ILE 112 Ca -0.13 0.30 -0.09 0.00 0.00 0.00 0.00 60.65 60.73 2f1r s ILE 112 Cb -0.07 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 2f1r s ILE 112 CO 0.01 0.39 0.13 -0.69 0.00 0.00 0.00 174.94 174.78 2f1r s VAL 113 N 0.64 4.58 -0.33 2.92 1.01 -0.35 -1.49 120.40 127.38 2f1r s VAL 113 Ca 0.10 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 2f1r s VAL 113 Cb -0.12 -3.26 0.04 0.00 0.00 0.00 0.00 36.38 33.03 2f1r s VAL 113 CO 0.02 0.17 0.09 -0.69 0.00 0.00 0.00 175.10 174.68 2f1r s VAL 114 N 1.63 3.73 0.11 2.92 1.01 0.94 0.26 120.40 131.01 2f1r s VAL 114 Ca 0.05 -1.10 0.04 0.00 0.00 0.00 0.00 61.98 60.97 2f1r s VAL 114 Cb -0.16 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2f1r s VAL 114 CO 0.06 -0.14 -0.09 0.68 0.00 0.00 0.00 175.10 175.60 2f1r s VAL 115 N 1.40 0.97 -0.05 2.92 -7.23 -0.61 -2.26 120.40 115.55 2f1r s VAL 115 Ca -0.01 -1.85 -0.23 0.00 -1.81 0.00 0.00 61.98 58.08 2f1r s VAL 115 Cb -0.19 -1.60 -0.27 0.00 0.56 0.00 0.00 36.38 34.88 2f1r s VAL 115 CO 0.02 -0.69 0.97 0.50 -0.31 0.00 0.00 175.10 175.59 2f1r h LYS 116 N 3.16 0.26 -6.39 4.82 1.63 -1.96 -3.39 116.57 114.71 2f1r h LYS 116 Ca -0.37 -0.35 -0.69 0.00 -0.85 0.00 0.00 60.65 58.39 2f1r h LYS 116 Cb 1.18 0.12 -0.23 0.00 -0.60 0.00 0.00 32.23 32.70 2f1r h LYS 116 CO 0.59 1.10 -0.78 0.15 -3.45 0.00 0.00 179.45 177.06 2f1r s LYS 117 N -2.78 2.40 0.41 1.90 1.02 -1.26 -4.72 119.74 116.71 2f1r s LYS 117 Ca -0.15 -0.76 0.08 0.00 0.02 0.00 0.00 55.97 55.16 2f1r s LYS 117 Cb 0.01 -2.33 0.87 0.00 -0.52 0.00 0.00 37.83 35.86 2f1r s LYS 117 CO 0.79 0.60 2.04 -1.35 -0.92 0.00 0.00 175.35 176.51 2f1r h PRO 118 N 5.14 0.54 0.00 -1.68 0.11 -1.90 -2.52 132.00 131.69 2f1r h PRO 118 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2f1r h PRO 118 Cb 1.15 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2f1r h PRO 118 CO 0.50 0.36 0.00 1.05 -0.21 0.00 0.00 178.00 179.70 2f1r h GLU 119 N 0.56 0.00 0.00 1.05 9.09 -1.99 -2.19 114.58 121.10 2f1r h GLU 119 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.60 2f1r h GLU 119 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.16 2f1r h GLU 119 CO -0.05 0.00 0.00 0.93 0.05 0.00 0.00 179.01 179.94 2f1r h GLU 120 N 0.00 0.00 -0.57 1.06 5.08 -1.88 -3.11 114.58 115.15 2f1r h GLU 120 Ca 0.00 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 2f1r h GLU 120 Cb 0.45 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2f1r h GLU 120 CO 0.00 0.00 0.39 0.28 -1.00 0.00 0.00 179.01 178.68 2f1r h VAL 121 N 0.00 0.87 0.00 3.13 2.07 -1.57 -2.56 116.25 118.19 2f1r h VAL 121 Ca 0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2f1r h VAL 121 Cb 0.23 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2f1r h VAL 121 CO 0.00 0.06 0.00 -0.33 0.02 0.00 0.00 177.57 177.32 2f1r h GLU 122 N 0.34 0.00 -0.05 1.57 4.39 -1.78 -1.82 114.58 117.24 2f1r h GLU 122 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 2f1r h GLU 122 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2f1r h GLU 122 CO -0.07 0.00 0.00 0.72 -1.16 0.00 0.00 179.01 178.50 2f1r n HIS 123 N -2.75 0.04 -1.90 4.33 8.25 -0.96 -4.14 115.22 118.09 2f1r n HIS 123 Ca -0.01 -0.02 -0.03 0.00 -0.26 0.00 0.00 57.72 57.39 2f1r n HIS 123 Cb 0.12 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.35 2f1r n HIS 123 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2f1r n PHE 124 N 0.52 0.89 0.10 4.41 3.72 -0.68 -4.83 117.46 121.59 2f1r n PHE 124 Ca 0.18 -1.64 0.03 0.00 -0.05 0.00 0.00 57.45 55.97 2f1r n PHE 124 Cb 0.42 -0.26 0.20 0.00 -0.94 0.00 0.00 39.48 38.89 2f1r n PHE 124 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2f1r n ARG 125 N -0.79 2.88 0.23 -1.08 1.74 -1.26 -4.43 116.66 113.95 2f1r n ARG 125 Ca 0.24 -1.54 0.12 0.00 -0.77 0.00 0.00 57.85 55.91 2f1r n ARG 125 Cb 0.83 -1.86 0.42 0.00 -1.02 0.00 0.00 32.46 30.83 2f1r n ARG 125 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2f1r h GLN 126 N 1.96 0.00 0.00 5.56 7.50 -1.88 -3.45 115.11 124.80 2f1r h GLN 126 Ca 0.00 0.00 -0.20 0.00 0.50 0.00 0.00 58.65 58.95 2f1r h GLN 126 Cb 1.21 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 28.69 2f1r h GLN 126 CO 0.24 0.14 -0.18 0.41 -1.50 0.00 0.00 178.83 177.94 2f1r n GLY 127 N 0.44 3.69 3.69 3.46 0.00 -1.26 -4.36 105.19 110.84 2f1r n GLY 127 Ca 0.01 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 2f1r n GLY 127 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2f1r s ARG 128 N -2.56 4.26 -0.29 1.61 3.52 -1.26 -4.83 118.95 119.40 2f1r s ARG 128 Ca 0.11 2.03 -0.24 0.00 -0.13 0.00 0.00 55.73 57.50 2f1r s ARG 128 Cb 0.01 -3.61 0.00 0.00 -1.56 0.00 0.00 34.95 29.78 2f1r s ARG 128 CO 0.08 -0.63 0.83 0.42 -0.81 0.00 0.00 175.30 175.19 2f1r s ILE 129 N 2.60 4.78 -0.11 4.11 1.01 -1.26 -0.47 121.20 131.86 2f1r s ILE 129 Ca 0.66 1.36 0.04 0.00 0.00 0.00 0.00 60.65 62.71 2f1r s ILE 129 Cb -0.33 -4.16 -0.24 0.00 0.01 0.00 0.00 42.46 37.74 2f1r s ILE 129 CO 0.27 -0.21 0.38 0.18 0.00 0.00 0.00 174.94 175.56 2f1r n LEU 130 N 6.20 1.76 -3.49 2.97 4.77 -0.23 -4.94 117.00 124.05 2f1r n LEU 130 Ca 0.05 0.23 -0.09 0.00 -0.03 0.00 0.00 56.01 56.17 2f1r n LEU 130 Cb 0.48 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 2f1r n LEU 130 CO 0.50 0.66 0.63 0.00 -1.33 0.00 0.00 177.39 177.85 2f1r s ALA 131 N -2.56 -1.78 -0.07 -1.18 0.00 -1.24 -4.43 121.76 110.49 2f1r s ALA 131 Ca -0.16 0.91 0.05 0.00 0.00 0.00 0.00 51.96 52.76 2f1r s ALA 131 Cb 0.07 0.51 -0.01 0.00 0.00 0.00 0.00 23.12 23.69 2f1r s ALA 131 CO 0.78 -0.71 -0.24 0.08 0.00 0.00 0.00 175.76 175.67 2f1r s VAL 132 N -3.24 2.10 -0.28 0.00 1.01 0.38 -1.21 120.40 119.16 2f1r s VAL 132 Ca 0.04 -1.04 -0.08 0.00 0.00 0.00 0.00 61.98 60.91 2f1r s VAL 132 Cb -0.01 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 2f1r s VAL 132 CO -0.10 0.57 0.09 -0.69 0.00 0.00 0.00 175.10 174.97 2f1r s VAL 133 N -0.03 4.21 -0.28 2.92 1.01 0.14 -1.57 120.40 126.80 2f1r s VAL 133 Ca -0.07 -0.43 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 2f1r s VAL 133 Cb -0.15 -3.08 0.09 0.00 0.00 0.00 0.00 36.38 33.24 2f1r s VAL 133 CO 0.05 0.19 0.74 0.00 0.00 0.00 0.00 175.10 176.07 2f1r h ASP 135 N 6.27 0.00 -3.14 0.00 3.32 -1.82 -3.35 116.42 117.71 2f1r h ASP 135 Ca -0.29 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.15 2f1r h ASP 135 Cb 1.21 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.68 2f1r h ASP 135 CO 0.13 0.11 -0.25 -0.70 -1.72 0.00 0.00 179.24 176.81 2f1r s GLU 136 N -4.65 4.07 0.24 3.56 2.12 -1.26 -4.95 118.70 117.84 2f1r s GLU 136 Ca -0.04 0.28 -0.31 0.00 0.36 0.00 0.00 54.97 55.26 2f1r s GLU 136 Cb 0.15 -3.33 -0.14 0.00 0.26 0.00 0.00 34.13 31.08 2f1r s GLU 136 CO 0.65 0.44 1.21 -2.13 -0.54 0.00 0.00 175.26 174.90 2f1r n ARG 137 N 2.77 1.59 -5.16 4.30 0.63 -1.26 -4.88 116.66 114.65 2f1r n ARG 137 Ca -0.12 0.56 -0.32 0.00 -0.92 0.00 0.00 57.85 57.05 2f1r n ARG 137 Cb 0.52 -2.09 -0.15 0.00 0.45 0.00 0.00 32.46 31.20 2f1r n ARG 137 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2f1r s VAL 138 N -0.47 2.40 0.16 5.15 1.01 -1.26 -4.92 120.40 122.47 2f1r s VAL 138 Ca 0.66 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 2f1r s VAL 138 Cb -0.72 -1.87 -0.07 0.00 0.00 0.00 0.00 36.38 33.72 2f1r s VAL 138 CO 0.54 0.58 0.48 -1.81 0.00 0.00 0.00 175.10 174.90 2f1r s ASP 139 N -0.64 6.66 0.00 3.32 1.01 -1.26 -4.53 116.67 121.23 2f1r s ASP 139 Ca 0.10 0.88 0.00 0.00 0.71 0.00 0.00 52.55 54.24 2f1r s ASP 139 Cb -0.10 -2.21 0.00 0.00 1.01 0.00 0.00 42.92 41.62 2f1r s ASP 139 CO -0.00 0.06 0.00 0.61 0.21 0.00 0.00 175.17 176.04 2f1r n GLY 140 N 0.42 0.74 3.20 0.21 0.00 -1.26 -5.02 105.19 103.49 2f1r n GLY 140 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 2f1r n GLY 140 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2f1r s HIS 141 N -2.50 -0.05 0.20 1.61 3.76 -1.26 -5.13 115.29 111.91 2f1r s HIS 141 Ca 0.00 -0.04 -0.32 0.00 -0.15 0.00 0.00 55.06 54.54 2f1r s HIS 141 Cb 0.00 0.03 -0.14 0.00 1.11 0.00 0.00 32.58 33.58 2f1r s HIS 141 CO 0.00 -0.42 1.43 1.17 -0.85 0.00 0.00 174.74 176.07 2f1r n LYS 142 N 0.94 1.92 -4.27 1.40 3.00 -1.26 -4.84 118.16 115.05 2f1r n LYS 142 Ca -0.20 0.69 -0.20 0.00 -0.00 0.00 0.00 58.31 58.60 2f1r n LYS 142 Cb 0.58 -2.36 -0.16 0.00 0.00 0.00 0.00 35.03 33.09 2f1r n LYS 142 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.40 176.94 2f1r s TRP 143 N 0.24 0.80 0.10 5.64 -0.00 -1.26 -0.47 118.94 123.99 2f1r s TRP 143 Ca 0.73 -0.21 0.05 0.00 -0.00 0.00 0.00 56.10 56.67 2f1r s TRP 143 Cb -0.70 -0.62 -0.03 0.00 -0.00 0.00 0.00 33.47 32.12 2f1r s TRP 143 CO 0.46 -0.12 -0.13 -0.06 -0.00 0.00 0.00 176.95 177.10 2f1r s PHE 144 N 0.44 1.26 0.57 5.86 0.08 -0.61 -4.97 117.98 120.62 2f1r s PHE 144 Ca -0.06 -0.54 -0.12 0.00 0.12 0.00 0.00 56.93 56.33 2f1r s PHE 144 Cb -0.10 -0.68 -0.05 0.00 -0.57 0.00 0.00 43.02 41.62 2f1r s PHE 144 CO 0.00 0.08 0.99 1.03 -0.10 0.00 0.00 175.22 177.22 2f1r s ARG 145 N -2.34 3.70 0.39 0.44 0.52 -1.25 -1.17 118.95 119.24 2f1r s ARG 145 Ca 0.04 0.75 0.18 0.00 -0.52 0.00 0.00 55.73 56.18 2f1r s ARG 145 Cb -0.06 -2.13 1.09 0.00 0.52 0.00 0.00 34.95 34.36 2f1r s ARG 145 CO 0.02 -0.43 1.77 0.00 0.02 0.00 0.00 175.30 176.67 2f1r h ARG 146 N 0.14 0.39 -0.00 3.54 -0.00 -1.89 -2.35 114.38 114.21 2f1r h ARG 146 Ca -0.45 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.00 2f1r h ARG 146 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 29.97 31.07 2f1r h ARG 146 CO 0.62 0.26 -0.00 -0.40 0.00 0.00 0.00 179.97 180.45 2f1r n ASP 147 N -4.65 0.00 -2.77 7.04 5.75 -1.26 -4.46 116.55 116.20 2f1r n ASP 147 Ca 0.26 0.45 -0.31 0.00 -0.01 0.00 0.00 54.79 55.17 2f1r n ASP 147 Cb 0.87 -0.48 -0.03 0.00 -1.03 0.00 0.00 41.12 40.45 2f1r n ASP 147 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2f1r n GLU 148 N -1.48 2.99 -0.20 0.11 1.02 -0.89 -4.69 120.64 117.50 2f1r n GLU 148 Ca 0.08 -2.78 -0.04 0.00 -0.02 0.00 0.00 57.16 54.40 2f1r n GLU 148 Cb 0.33 -2.27 0.13 0.00 -0.02 0.00 0.00 31.44 29.62 2f1r n GLU 148 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 2f1r h VAL 149 N 2.12 1.24 -0.52 2.62 -1.51 -1.85 0.08 116.25 118.43 2f1r h VAL 149 Ca 0.48 -0.84 -0.04 0.00 -1.23 0.00 0.00 66.70 65.07 2f1r h VAL 149 Cb 0.55 0.52 -0.02 0.00 -2.13 0.00 0.00 31.29 30.21 2f1r h VAL 149 CO 1.06 0.32 0.16 -0.33 -1.23 0.00 0.00 177.57 177.55 2f1r h GLU 150 N 0.96 0.78 -0.13 5.19 3.07 -1.93 0.24 114.58 122.76 2f1r h GLU 150 Ca 0.21 -0.14 -0.19 0.00 -0.50 0.00 0.00 59.36 58.74 2f1r h GLU 150 Cb 0.27 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 2f1r h GLU 150 CO -0.01 0.68 -0.71 0.00 -1.40 0.00 0.00 179.01 177.57 2f1r h ARG 151 N 0.76 0.58 -0.16 2.33 3.08 -1.48 -0.83 114.38 118.66 2f1r h ARG 151 Ca 0.17 -0.45 -0.19 0.00 0.07 0.00 0.00 59.98 59.58 2f1r h ARG 151 Cb 0.23 0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.38 2f1r h ARG 151 CO -0.01 1.07 -0.66 0.82 -1.07 0.00 0.00 179.97 180.13 2f1r h ILE 152 N 0.41 1.30 -0.27 2.04 2.04 -0.84 -1.49 117.51 120.71 2f1r h ILE 152 Ca -0.03 -1.88 0.03 0.00 1.00 0.00 0.00 64.86 63.97 2f1r h ILE 152 Cb 1.30 1.99 -0.03 0.00 -0.74 0.00 0.00 36.82 39.34 2f1r h ILE 152 CO 0.13 0.59 0.10 0.00 0.00 0.00 0.00 178.15 178.98 2f1r h ALA 153 N 0.55 0.31 -0.54 1.87 0.00 -0.97 -1.27 119.26 119.21 2f1r h ALA 153 Ca -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2f1r h ALA 153 Cb 1.29 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2f1r h ALA 153 CO 0.14 -0.30 0.27 1.49 0.00 0.00 0.00 179.25 180.85 2f1r h GLU 154 N 0.23 0.74 -0.61 0.00 4.57 -1.11 0.21 114.58 118.61 2f1r h GLU 154 Ca 0.12 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 2f1r h GLU 154 Cb 0.07 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 2f1r h GLU 154 CO -0.11 0.56 0.24 0.35 -1.18 0.00 0.00 179.01 178.87 2f1r h PHE 155 N 0.75 0.93 -0.02 0.92 3.57 -0.81 0.49 116.94 122.76 2f1r h PHE 155 Ca 0.19 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 2f1r h PHE 155 Cb 0.05 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.51 2f1r h PHE 155 CO 0.01 0.74 -0.00 0.82 -2.23 0.00 0.00 178.31 177.64 2f1r h ILE 156 N 0.85 1.28 -0.96 1.41 2.04 -0.03 -2.49 117.51 119.61 2f1r h ILE 156 Ca 0.20 -0.83 0.19 0.00 1.00 0.00 0.00 64.86 65.43 2f1r h ILE 156 Cb 0.21 1.79 -0.11 0.00 -0.74 0.00 0.00 36.82 37.97 2f1r h ILE 156 CO -0.02 0.22 0.54 -0.07 0.00 0.00 0.00 178.15 178.83 2f1r h LEU 157 N -0.29 0.66 -0.70 1.44 3.38 -0.34 -2.26 115.31 117.21 2f1r h LEU 157 Ca 0.01 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2f1r h LEU 157 Cb 0.36 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2f1r h LEU 157 CO 0.00 0.21 0.33 0.77 0.09 0.00 0.00 178.44 179.84 2f1r h SER 158 N 0.67 0.91 0.22 -0.43 4.64 0.30 -2.64 113.55 117.22 2f1r h SER 158 Ca 0.56 -0.13 -0.11 0.00 -0.47 0.00 0.00 61.79 61.64 2f1r h SER 158 Cb 0.90 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 2f1r h SER 158 CO -0.41 0.79 -0.41 -0.07 -0.87 0.00 0.00 176.83 175.86 2f1r h LEU 159 N 0.97 0.26 -0.94 5.97 3.38 -0.98 -2.34 115.31 121.63 2f1r h LEU 159 Ca 0.24 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2f1r h LEU 159 Cb 0.12 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2f1r h LEU 159 CO -0.03 0.65 0.57 -0.07 0.09 0.00 0.00 178.44 179.65 2f1r h LEU 160 N 0.21 1.13 0.00 1.67 4.07 -1.18 -3.08 115.31 118.13 2f1r h LEU 160 Ca 0.02 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.91 2f1r h LEU 160 Cb 0.82 -0.29 0.00 0.00 1.08 0.00 0.00 40.66 42.27 2f1r h LEU 160 CO 0.06 0.87 0.00 0.54 -1.08 0.00 0.00 178.44 178.84 2f1r n ARG 161 N -4.36 0.44 0.00 1.13 1.74 -0.89 -5.13 116.66 109.60 2f1r n ARG 161 Ca 0.11 0.02 0.14 0.00 -0.77 0.00 0.00 57.85 57.34 2f1r n ARG 161 Cb 0.06 -1.50 0.47 0.00 -1.02 0.00 0.00 32.46 30.47 2f1r n ARG 161 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50