#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1usy s LEU 2 N 0.00 0.43 -0.27 3.17 2.96 -1.25 -5.02 118.68 118.70 1usy s LEU 2 Ca 0.00 -0.51 -0.13 0.00 -0.22 0.00 0.00 54.13 53.27 1usy s LEU 2 Cb 0.00 -0.28 -0.04 0.00 0.50 0.00 0.00 46.19 46.37 1usy s LEU 2 CO 0.00 -0.32 0.26 -0.54 -1.32 0.00 0.00 176.35 174.43 1usy s LYS 3 N 2.10 3.99 0.01 1.98 1.02 -1.26 -2.19 119.74 125.39 1usy s LYS 3 Ca 0.02 -0.16 -0.02 0.00 0.02 0.00 0.00 55.97 55.84 1usy s LYS 3 Cb -0.15 -3.64 -0.04 0.00 -0.52 0.00 0.00 37.83 33.47 1usy s LYS 3 CO -0.08 -0.19 0.17 -0.51 -0.92 0.00 0.00 175.35 173.82 1usy s LEU 4 N 1.81 4.30 -0.42 3.17 1.43 0.96 -0.43 118.68 129.49 1usy s LEU 4 Ca 0.11 0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.52 1usy s LEU 4 Cb -0.16 -2.65 0.12 0.00 0.03 0.00 0.00 46.19 43.53 1usy s LEU 4 CO 0.10 0.24 0.17 0.00 0.23 0.00 0.00 176.35 177.09 1usy s ALA 5 N -1.35 3.12 -0.07 4.21 0.00 -0.11 -0.22 121.76 127.33 1usy s ALA 5 Ca 0.29 -2.78 -0.17 0.00 0.00 0.00 0.00 51.96 49.29 1usy s ALA 5 Cb -0.13 -2.18 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 1usy s ALA 5 CO 0.20 -1.83 0.45 0.42 0.00 0.00 0.00 175.76 175.00 1usy s ILE 6 N 0.58 5.12 -0.07 0.00 -1.09 0.58 -3.38 121.20 122.93 1usy s ILE 6 Ca 0.12 0.91 -0.30 0.00 -2.23 0.00 0.00 60.65 59.16 1usy s ILE 6 Cb -0.22 -3.78 -0.02 0.00 -1.58 0.00 0.00 42.46 36.86 1usy s ILE 6 CO -0.05 0.42 1.11 -2.16 -1.23 0.00 0.00 174.94 173.03 1usy s PRO 7 N -0.00 4.39 0.79 2.79 0.04 -1.26 -1.05 135.00 140.71 1usy s PRO 7 Ca 0.25 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 62.73 1usy s PRO 7 Cb -0.16 -3.54 0.07 0.00 0.04 0.00 0.00 34.50 30.91 1usy s PRO 7 CO 0.11 -0.37 1.10 0.15 0.04 0.00 0.00 177.00 178.04 1usy s LYS 8 N 2.04 2.07 0.00 4.56 1.02 0.36 -3.42 119.74 126.37 1usy s LYS 8 Ca 0.53 1.24 0.00 0.00 0.02 0.00 0.00 55.97 57.76 1usy s LYS 8 Cb -0.22 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1usy s LYS 8 CO 0.21 -1.80 0.00 0.41 -0.92 0.00 0.00 175.35 173.25 1usy n GLY 9 N -0.95 0.27 0.27 -3.33 0.00 -1.26 -4.57 105.19 95.61 1usy n GLY 9 Ca 0.10 -1.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 1usy n GLY 9 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1usy h ARG 10 N 0.00 0.83 0.00 1.61 -0.00 -2.04 -3.20 114.38 111.58 1usy h ARG 10 Ca 0.00 -0.37 -0.15 0.00 -0.00 0.00 0.00 59.98 59.47 1usy h ARG 10 Cb 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.97 29.92 1usy h ARG 10 CO 0.00 1.00 -0.76 -0.07 -0.00 0.00 0.00 179.97 180.14 1usy h LEU 11 N 0.71 0.00 -0.79 0.08 -0.00 -1.85 -3.40 115.31 110.07 1usy h LEU 11 Ca 0.09 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 58.06 1usy h LEU 11 Cb 0.81 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 41.36 1usy h LEU 11 CO 0.07 0.68 -0.39 1.21 -0.00 0.00 0.00 178.44 180.01 1usy n GLU 12 N -3.24 -0.27 0.04 1.13 2.13 -1.21 -1.33 120.64 117.90 1usy n GLU 12 Ca -0.00 1.20 -0.12 0.00 0.66 0.00 0.00 57.16 58.90 1usy n GLU 12 Cb 0.82 -1.78 -0.08 0.00 0.27 0.00 0.00 31.44 30.67 1usy n GLU 12 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1usy h GLU 13 N 0.00 -0.03 0.04 5.31 4.81 -1.81 0.14 114.58 123.03 1usy h GLU 13 Ca 0.20 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1usy h GLU 13 Cb 0.40 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.74 1usy h GLU 13 CO -0.76 0.05 -0.50 -0.22 -0.73 0.00 0.00 179.01 176.85 1usy h LYS 14 N -0.11 -0.63 -0.26 1.92 3.64 -1.46 0.46 116.57 120.12 1usy h LYS 14 Ca -0.00 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1usy h LYS 14 Cb 0.10 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1usy h LYS 14 CO 0.01 -0.42 0.05 0.28 -2.27 0.00 0.00 179.45 177.09 1usy h VAL 15 N -0.65 0.87 0.00 2.00 2.07 -1.20 -0.60 116.25 118.73 1usy h VAL 15 Ca 0.01 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 1usy h VAL 15 Cb 0.69 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1usy h VAL 15 CO -0.31 0.03 -0.33 0.24 0.02 0.00 0.00 177.57 177.21 1usy h MET 16 N 0.14 0.00 -0.21 1.57 2.86 -0.41 -1.54 114.93 117.35 1usy h MET 16 Ca 0.12 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.61 1usy h MET 16 Cb 0.13 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1usy h MET 16 CO -0.17 0.33 -0.49 0.00 1.06 0.00 0.00 176.91 177.65 1usy h THR 17 N 0.00 1.31 -0.52 2.22 1.03 0.49 -2.66 112.91 114.78 1usy h THR 17 Ca -0.00 -1.70 -0.07 0.00 -0.01 0.00 0.00 66.41 64.63 1usy h THR 17 Cb 0.59 1.68 -0.02 0.00 -1.07 0.00 0.00 68.15 69.33 1usy h THR 17 CO 0.04 0.53 0.05 1.88 -0.01 0.00 0.00 175.52 178.02 1usy h TYR 18 N 0.44 0.90 -0.51 0.00 0.99 -0.19 -2.63 116.97 115.96 1usy h TYR 18 Ca 0.02 -0.11 -0.06 0.00 2.00 0.00 0.00 58.73 60.57 1usy h TYR 18 Cb 1.01 -0.25 -0.02 0.00 1.00 0.00 0.00 36.73 38.47 1usy h TYR 18 CO 0.04 0.80 0.06 -0.07 -0.00 0.00 0.00 178.16 178.98 1usy h LEU 19 N 0.80 0.78 -0.22 3.88 3.38 -1.22 -3.06 115.31 119.66 1usy h LEU 19 Ca 0.16 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1usy h LEU 19 Cb 0.41 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1usy h LEU 19 CO 0.01 0.82 -0.35 0.50 0.09 0.00 0.00 178.44 179.51 1usy h LYS 20 N 0.78 0.63 0.00 1.13 3.64 -1.27 -2.71 116.57 118.77 1usy h LYS 20 Ca 0.16 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1usy h LYS 20 Cb 0.39 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1usy h LYS 20 CO 0.01 0.99 0.00 1.63 -2.27 0.00 0.00 179.45 179.81 1usy n LYS 21 N -4.27 0.38 -0.00 1.90 5.02 -1.01 -1.98 118.16 118.20 1usy n LYS 21 Ca -0.05 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.28 1usy n LYS 21 Cb 0.51 -1.24 -0.06 0.00 -0.02 0.00 0.00 35.03 34.21 1usy n LYS 21 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1usy n THR 22 N -0.74 0.00 0.00 -0.18 5.66 -1.03 -4.95 114.28 113.03 1usy n THR 22 Ca 0.04 -0.26 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 1usy n THR 22 Cb 0.02 0.71 0.00 0.00 -1.55 0.00 0.00 70.33 69.52 1usy n THR 22 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1usy n GLY 23 N 1.51 0.71 3.70 1.09 0.00 -0.84 -5.03 105.19 106.34 1usy n GLY 23 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1usy n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1usy s VAL 24 N -2.00 3.86 0.06 1.61 1.01 -1.17 -5.05 120.40 118.72 1usy s VAL 24 Ca 0.00 1.28 0.08 0.00 0.00 0.00 0.00 61.98 63.34 1usy s VAL 24 Cb 0.00 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1usy s VAL 24 CO 0.00 0.04 -0.21 -0.63 0.00 0.00 0.00 175.10 174.30 1usy s ILE 25 N 1.77 1.72 -0.14 2.22 1.09 -1.26 -4.61 121.20 121.99 1usy s ILE 25 Ca 0.61 -1.31 -0.05 0.00 -1.10 0.00 0.00 60.65 58.79 1usy s ILE 25 Cb -0.30 -1.51 -0.06 0.00 -1.06 0.00 0.00 42.46 39.52 1usy s ILE 25 CO 0.27 0.14 -0.16 0.49 -0.10 0.00 0.00 174.94 175.58 1usy n PHE 26 N 1.62 0.00 -1.42 3.97 3.01 -1.26 -4.19 117.46 119.19 1usy n PHE 26 Ca -0.18 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.14 1usy n PHE 26 Cb 0.53 -0.49 -0.06 0.00 -0.01 0.00 0.00 39.48 39.45 1usy n PHE 26 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1usy n GLU 27 N -3.45 -1.47 0.00 -1.08 0.28 -1.26 -3.82 120.64 109.84 1usy n GLU 27 Ca -0.26 1.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.74 1usy n GLU 27 Cb 0.70 -5.34 0.00 0.00 1.43 0.00 0.00 31.44 28.24 1usy n GLU 27 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1usy n ARG 28 N -1.66 0.00 -0.77 3.44 1.74 -1.25 -4.99 116.66 113.17 1usy n ARG 28 Ca -0.14 -0.10 -0.07 0.00 -0.77 0.00 0.00 57.85 56.77 1usy n ARG 28 Cb 0.59 -0.11 -0.07 0.00 -1.02 0.00 0.00 32.46 31.86 1usy n ARG 28 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1usy n GLU 29 N 0.00 0.00 -3.99 5.56 1.02 -1.26 -4.52 120.64 117.45 1usy n GLU 29 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 1usy n GLU 29 Cb 0.49 -0.62 -0.03 0.00 -0.02 0.00 0.00 31.44 31.26 1usy n GLU 29 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1usy s SER 30 N 0.00 6.01 0.44 1.62 0.15 -0.93 -5.00 113.70 115.99 1usy s SER 30 Ca 0.39 -0.07 0.27 0.00 0.70 0.00 0.00 55.95 57.25 1usy s SER 30 Cb -0.25 -1.65 1.47 0.00 -1.71 0.00 0.00 66.02 63.87 1usy s SER 30 CO 0.17 -0.08 1.81 -1.28 1.20 0.00 0.00 173.24 175.06 1usy h SER 31 N 1.27 0.00 0.00 5.45 0.87 -2.01 -3.04 113.55 116.09 1usy h SER 31 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1usy h SER 31 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1usy h SER 31 CO 0.60 0.00 0.00 -0.38 -0.53 0.00 0.00 176.83 176.52 1usy n ILE 32 N -2.48 0.00 -3.37 2.23 5.41 -1.26 -4.89 119.36 115.00 1usy n ILE 32 Ca -0.02 -0.10 -0.11 0.00 1.00 0.00 0.00 62.75 63.53 1usy n ILE 32 Cb 0.11 1.14 -0.09 0.00 -0.71 0.00 0.00 39.64 40.09 1usy n ILE 32 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1usy s LEU 33 N -0.32 -0.55 -0.51 1.39 0.20 -1.15 -1.68 118.68 116.07 1usy s LEU 33 Ca 0.00 -0.02 -0.10 0.00 0.69 0.00 0.00 54.13 54.70 1usy s LEU 33 Cb 0.00 0.95 0.13 0.00 -0.43 0.00 0.00 46.19 46.85 1usy s LEU 33 CO 0.00 -0.32 0.39 -0.13 -0.29 0.00 0.00 176.35 176.00 1usy s ARG 34 N 2.50 2.60 -0.25 1.98 3.00 -0.24 -2.18 118.95 126.36 1usy s ARG 34 Ca 0.11 -1.87 -0.13 0.00 0.00 0.00 0.00 55.73 53.84 1usy s ARG 34 Cb -0.15 -3.98 -0.04 0.00 0.00 0.00 0.00 34.95 30.78 1usy s ARG 34 CO -0.19 -1.21 0.29 -2.00 0.00 0.00 0.00 175.30 172.19 1usy s GLU 35 N 1.19 4.06 0.22 3.54 2.12 -1.26 -0.35 118.70 128.22 1usy s GLU 35 Ca 0.07 -0.06 0.07 0.00 0.36 0.00 0.00 54.97 55.41 1usy s GLU 35 Cb -0.25 -3.59 -0.05 0.00 0.26 0.00 0.00 34.13 30.50 1usy s GLU 35 CO -0.01 -0.10 -0.11 0.20 -0.54 0.00 0.00 175.26 174.69 1usy s GLY 36 N 1.34 1.48 0.12 -1.50 0.00 0.13 -3.82 107.32 105.06 1usy s GLY 36 Ca 0.13 -1.70 -0.22 0.00 0.00 0.00 0.00 44.72 42.92 1usy s GLY 36 CO 0.08 -1.75 1.15 1.17 0.00 0.00 0.00 173.10 173.75 1usy n LYS 37 N -0.41 -0.32 -0.80 2.90 4.81 -1.26 -2.55 118.16 120.54 1usy n LYS 37 Ca -0.07 1.13 0.06 0.00 -0.87 0.00 0.00 58.31 58.55 1usy n LYS 37 Cb 0.61 -1.66 0.15 0.00 0.02 0.00 0.00 35.03 34.15 1usy n LYS 37 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1usy n ASP 38 N -4.95 1.52 -3.53 3.14 8.00 -1.26 -5.00 116.55 114.47 1usy n ASP 38 Ca 0.02 -3.30 0.00 0.00 0.71 0.00 0.00 54.79 52.22 1usy n ASP 38 Cb 0.20 -0.45 -0.05 0.00 -0.02 0.00 0.00 41.12 40.79 1usy n ASP 38 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1usy s ILE 39 N -2.27 -0.15 0.05 0.53 2.07 -1.06 -3.87 121.20 116.50 1usy s ILE 39 Ca 0.36 0.00 0.09 0.00 -1.41 0.00 0.00 60.65 59.68 1usy s ILE 39 Cb 0.36 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.92 1usy s ILE 39 CO -0.09 0.00 -0.24 0.68 -1.91 0.00 0.00 174.94 173.38 1usy s VAL 40 N 1.68 2.32 -0.24 4.00 -7.23 -0.93 0.18 120.40 120.17 1usy s VAL 40 Ca -0.06 -1.36 0.02 0.00 -1.81 0.00 0.00 61.98 58.77 1usy s VAL 40 Cb -0.04 -1.93 0.05 0.00 0.56 0.00 0.00 36.38 35.02 1usy s VAL 40 CO -0.15 0.34 -0.12 0.00 -0.31 0.00 0.00 175.10 174.86 1usy s PHE 42 N 1.16 3.19 -1.00 0.00 0.40 0.69 -1.08 117.98 121.34 1usy s PHE 42 Ca -0.06 0.82 -0.18 0.00 -0.60 0.00 0.00 56.93 56.91 1usy s PHE 42 Cb -0.19 -3.26 0.14 0.00 0.51 0.00 0.00 43.02 40.22 1usy s PHE 42 CO -0.07 -0.59 1.22 -1.64 0.70 0.00 0.00 175.22 174.84 1usy s MET 43 N 3.01 3.73 0.45 0.44 -1.94 -0.68 -0.31 119.30 124.00 1usy s MET 43 Ca 0.33 -1.96 0.07 0.00 -1.71 0.00 0.00 55.69 52.43 1usy s MET 43 Cb -0.14 -4.97 -0.01 0.00 2.01 0.00 0.00 34.83 31.72 1usy s MET 43 CO 0.13 -1.79 0.40 0.14 -0.01 0.00 0.00 175.02 173.89 1usy s VAL 44 N 2.47 2.45 0.37 -6.03 -7.23 -0.21 -4.78 120.40 107.43 1usy s VAL 44 Ca 0.36 -1.36 -0.24 0.00 -1.81 0.00 0.00 61.98 58.92 1usy s VAL 44 Cb -0.04 -2.81 -0.10 0.00 0.56 0.00 0.00 36.38 33.99 1usy s VAL 44 CO -0.07 0.00 0.96 -0.13 -0.31 0.00 0.00 175.10 175.55 1usy s ARG 45 N -4.18 4.39 0.19 4.82 1.81 -1.26 -0.48 118.95 124.24 1usy s ARG 45 Ca 0.46 1.29 -0.12 0.00 -1.72 0.00 0.00 55.73 55.65 1usy s ARG 45 Cb -0.03 -2.54 0.22 0.00 -0.45 0.00 0.00 34.95 32.15 1usy s ARG 45 CO 0.27 0.10 1.73 -1.35 -0.68 0.00 0.00 175.30 175.37 1usy h PRO 46 N 2.62 0.32 -0.63 3.54 0.11 -1.91 0.58 132.00 136.63 1usy h PRO 46 Ca -0.48 -0.02 0.18 0.00 0.11 0.00 0.00 66.00 65.80 1usy h PRO 46 Cb 1.19 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1usy h PRO 46 CO 0.63 0.21 0.55 0.74 -0.21 0.00 0.00 178.00 179.92 1usy h PHE 47 N 0.33 0.00 0.00 0.65 0.05 -1.98 -1.54 116.94 114.46 1usy h PHE 47 Ca 0.27 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.06 1usy h PHE 47 Cb 0.33 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.28 1usy h PHE 47 CO -0.19 0.00 -0.63 -0.25 -0.18 0.00 0.00 178.31 177.06 1usy n ASP 48 N -3.96 0.58 -0.05 2.17 8.00 0.19 -4.24 116.55 119.24 1usy n ASP 48 Ca 0.12 -0.25 -0.10 0.00 0.71 0.00 0.00 54.79 55.28 1usy n ASP 48 Cb 0.79 0.37 -0.04 0.00 -0.02 0.00 0.00 41.12 42.22 1usy n ASP 48 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1usy h VAL 49 N 0.00 0.23 -0.88 2.53 2.07 -1.17 -0.86 116.25 118.17 1usy h VAL 49 Ca 0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1usy h VAL 49 Cb 0.57 0.23 -0.10 0.00 -1.52 0.00 0.00 31.29 30.47 1usy h VAL 49 CO 0.00 0.00 0.46 -0.65 0.02 0.00 0.00 177.57 177.40 1usy h PRO 50 N -0.36 0.61 -0.95 1.57 0.11 -1.79 -1.10 132.00 130.10 1usy h PRO 50 Ca 0.12 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 66.29 1usy h PRO 50 Cb 0.56 -0.14 -0.07 0.00 0.11 0.00 0.00 31.00 31.46 1usy h PRO 50 CO -0.44 0.40 0.60 1.15 -0.21 0.00 0.00 178.00 179.49 1usy h THR 51 N 0.63 0.99 -0.28 -1.15 2.02 -1.41 0.63 112.91 114.33 1usy h THR 51 Ca 0.49 -0.35 -0.19 0.00 0.77 0.00 0.00 66.41 67.13 1usy h THR 51 Cb 0.72 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1usy h THR 51 CO -0.38 0.19 -0.57 1.88 0.37 0.00 0.00 175.52 177.01 1usy h TYR 52 N 1.01 1.11 -0.10 3.16 -1.99 -0.84 -2.96 116.97 116.36 1usy h TYR 52 Ca 0.44 -0.40 -0.02 0.00 2.00 0.00 0.00 58.73 60.75 1usy h TYR 52 Cb 0.32 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 38.84 1usy h TYR 52 CO -0.02 1.24 -0.02 -0.07 -0.00 0.00 0.00 178.16 179.30 1usy h LEU 53 N 0.67 0.19 -1.29 3.88 3.38 -0.89 -1.64 115.31 119.61 1usy h LEU 53 Ca 0.01 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1usy h LEU 53 Cb 1.18 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1usy h LEU 53 CO 0.13 0.49 -0.20 -0.37 0.09 0.00 0.00 178.44 178.58 1usy h VAL 54 N -0.12 0.55 -0.01 1.22 -1.51 -0.93 -0.80 116.25 114.65 1usy h VAL 54 Ca 0.03 -1.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.50 1usy h VAL 54 Cb 0.41 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 1usy h VAL 54 CO 0.01 0.20 -0.02 1.41 -1.23 0.00 0.00 177.57 177.94 1usy n HIS 55 N -3.43 0.00 -1.10 5.19 8.25 -1.12 -4.93 115.22 118.09 1usy n HIS 55 Ca -0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.42 1usy n HIS 55 Cb 0.39 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.47 1usy n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1usy n GLY 56 N 1.14 0.56 0.21 -1.41 0.00 -0.31 -4.88 105.19 100.52 1usy n GLY 56 Ca 0.20 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1usy n GLY 56 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1usy h VAL 57 N 0.00 0.26 -2.82 1.61 -1.51 -1.55 -3.42 116.25 108.82 1usy h VAL 57 Ca -0.07 -1.18 -0.53 0.00 -1.23 0.00 0.00 66.70 63.69 1usy h VAL 57 Cb 0.52 1.96 -0.16 0.00 -2.13 0.00 0.00 31.29 31.48 1usy h VAL 57 CO 0.10 0.13 -0.76 0.00 -1.23 0.00 0.00 177.57 175.81 1usy s ALA 58 N -3.31 2.27 -0.21 5.19 0.00 -0.75 -4.89 121.76 120.07 1usy s ALA 58 Ca 0.04 -1.68 0.03 0.00 0.00 0.00 0.00 51.96 50.35 1usy s ALA 58 Cb 0.07 -0.18 -0.20 0.00 0.00 0.00 0.00 23.12 22.80 1usy s ALA 58 CO 0.66 0.21 -0.01 -0.25 0.00 0.00 0.00 175.76 176.36 1usy n ASP 59 N -0.22 1.69 -4.10 0.00 8.00 0.42 -4.40 116.55 117.95 1usy n ASP 59 Ca -0.09 -0.01 -0.16 0.00 0.71 0.00 0.00 54.79 55.23 1usy n ASP 59 Cb 0.59 -0.31 -0.12 0.00 -0.02 0.00 0.00 41.12 41.26 1usy n ASP 59 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1usy s ILE 60 N -2.53 0.81 0.34 0.53 1.01 -1.15 -1.44 121.20 118.78 1usy s ILE 60 Ca -0.27 -1.02 -0.08 0.00 0.00 0.00 0.00 60.65 59.27 1usy s ILE 60 Cb 0.08 -0.80 0.02 0.00 0.01 0.00 0.00 42.46 41.77 1usy s ILE 60 CO 0.68 -0.19 0.58 -0.83 0.00 0.00 0.00 174.94 175.18 1usy s GLY 61 N -1.35 0.99 -0.11 6.18 0.00 -0.32 -0.93 107.32 111.77 1usy s GLY 61 Ca -0.04 -1.17 -0.01 0.00 0.00 0.00 0.00 44.72 43.50 1usy s GLY 61 CO 0.01 -0.72 -0.02 -1.36 0.00 0.00 0.00 173.10 171.01 1usy s PHE 62 N -2.98 1.04 0.07 1.90 0.40 -1.22 0.91 117.98 118.11 1usy s PHE 62 Ca 0.24 -0.53 0.01 0.00 -0.60 0.00 0.00 56.93 56.05 1usy s PHE 62 Cb -0.02 -1.00 -0.04 0.00 0.51 0.00 0.00 43.02 42.47 1usy s PHE 62 CO 0.16 -0.46 -0.05 0.00 0.70 0.00 0.00 175.22 175.57 1usy s GLY 64 N -2.55 1.52 0.42 0.00 0.00 -1.26 0.13 107.32 105.58 1usy s GLY 64 Ca 0.03 -0.77 0.16 0.00 0.00 0.00 0.00 44.72 44.14 1usy s GLY 64 CO -0.05 -0.68 1.91 -0.84 0.00 0.00 0.00 173.10 173.44 1usy h THR 65 N 0.90 0.79 0.31 0.90 2.02 -1.72 -2.37 112.91 113.74 1usy h THR 65 Ca -0.49 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 1usy h THR 65 Cb 1.21 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1usy h THR 65 CO 0.63 0.08 -0.15 -2.24 0.37 0.00 0.00 175.52 174.21 1usy h ASP 66 N 0.42 -0.35 -0.66 4.18 2.03 -1.92 0.97 116.42 121.09 1usy h ASP 66 Ca 0.38 -0.07 -0.09 0.00 -0.73 0.00 0.00 57.03 56.52 1usy h ASP 66 Cb 0.87 0.09 -0.03 0.00 -0.83 0.00 0.00 39.33 39.44 1usy h ASP 66 CO -0.12 -0.15 0.08 -0.37 -1.03 0.00 0.00 179.24 177.65 1usy h VAL 67 N -0.55 1.27 -0.44 4.15 -1.51 -1.92 -0.27 116.25 116.98 1usy h VAL 67 Ca -0.04 -1.08 0.06 0.00 -1.23 0.00 0.00 66.70 64.41 1usy h VAL 67 Cb 0.40 0.67 -0.05 0.00 -2.13 0.00 0.00 31.29 30.18 1usy h VAL 67 CO 0.07 0.40 0.15 -0.07 -1.23 0.00 0.00 177.57 176.89 1usy h LEU 68 N 1.03 0.15 -0.27 4.19 3.38 -1.06 0.09 115.31 122.82 1usy h LEU 68 Ca 0.20 0.05 -0.21 0.00 0.09 0.00 0.00 57.88 58.01 1usy h LEU 68 Cb 0.48 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1usy h LEU 68 CO 0.02 0.12 -0.75 -0.07 0.09 0.00 0.00 178.44 177.85 1usy h LEU 69 N 0.32 0.75 -1.62 1.67 3.38 -0.72 -0.93 115.31 118.17 1usy h LEU 69 Ca 0.21 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1usy h LEU 69 Cb 0.21 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1usy h LEU 69 CO -0.22 1.26 -0.17 -0.08 0.09 0.00 0.00 178.44 179.32 1usy h GLU 70 N 0.44 0.02 -0.42 1.13 4.57 -0.64 -2.59 114.58 117.08 1usy h GLU 70 Ca -0.04 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1usy h GLU 70 Cb 1.36 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 1usy h GLU 70 CO 0.14 0.20 0.00 1.63 -1.18 0.00 0.00 179.01 179.80 1usy n LYS 71 N -4.32 2.30 -3.29 1.92 4.76 -0.02 -4.66 118.16 114.85 1usy n LYS 71 Ca -0.02 -1.99 -0.23 0.00 -2.87 0.00 0.00 58.31 53.20 1usy n LYS 71 Cb 0.24 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 1usy n LYS 71 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1usy n GLU 72 N 1.16 -3.52 -3.03 1.97 -0.00 -0.98 -4.93 120.64 111.31 1usy n GLU 72 Ca 0.19 0.53 -0.39 0.00 -0.00 0.00 0.00 57.16 57.48 1usy n GLU 72 Cb 0.51 -5.25 -0.06 0.00 -0.00 0.00 0.00 31.44 26.64 1usy n GLU 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1usy s THR 73 N -2.95 4.43 -0.42 3.84 2.01 -0.38 -5.01 115.64 117.17 1usy s THR 73 Ca 0.37 1.62 0.09 0.00 0.31 0.00 0.00 61.69 64.08 1usy s THR 73 Cb -0.19 -4.10 0.41 0.00 0.01 0.00 0.00 72.50 68.63 1usy s THR 73 CO 0.46 0.53 1.00 -1.54 -0.69 0.00 0.00 174.62 174.38 1usy n SER 74 N 1.61 3.37 0.00 3.53 3.41 -1.26 -4.78 113.62 119.49 1usy n SER 74 Ca -0.06 -3.36 0.00 0.00 -0.26 0.00 0.00 58.87 55.18 1usy n SER 74 Cb 0.49 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1usy n SER 74 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1usy n LEU 75 N -0.24 0.00 -4.34 1.04 4.77 -1.26 -4.96 117.00 112.00 1usy n LEU 75 Ca 0.28 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.93 1usy n LEU 75 Cb 0.66 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.60 1usy n LEU 75 CO 0.30 0.00 -0.45 -0.63 -1.33 0.00 0.00 177.39 175.28 1usy s ILE 76 N 3.40 3.01 -0.46 -0.08 1.01 -0.97 -4.97 121.20 122.14 1usy s ILE 76 Ca 0.00 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.01 1usy s ILE 76 Cb 0.00 -2.27 0.16 0.00 0.01 0.00 0.00 42.46 40.35 1usy s ILE 76 CO 0.00 0.51 0.33 0.00 0.00 0.00 0.00 174.94 175.78 1usy s GLN 77 N 0.54 1.20 0.11 2.79 -2.07 -1.26 0.31 119.66 121.28 1usy s GLN 77 Ca -0.08 -2.19 -0.15 0.00 -1.82 0.00 0.00 55.36 51.12 1usy s GLN 77 Cb -0.16 -1.94 -0.05 0.00 -1.09 0.00 0.00 33.01 29.77 1usy s GLN 77 CO 0.04 -1.30 1.49 -1.00 -1.32 0.00 0.00 175.29 173.20 1usy h PRO 78 N 6.03 0.71 -3.41 9.60 0.13 -1.97 -3.48 132.00 139.61 1usy h PRO 78 Ca 0.16 -0.30 -0.02 0.00 -0.87 0.00 0.00 66.00 64.96 1usy h PRO 78 Cb 0.89 -0.02 -0.09 0.00 0.13 0.00 0.00 31.00 31.91 1usy h PRO 78 CO 0.44 0.90 -0.01 -0.59 -0.23 0.00 0.00 178.00 178.51 1usy s PHE 79 N -4.64 0.06 0.45 1.56 -0.12 -1.26 -5.08 117.98 108.95 1usy s PHE 79 Ca -0.13 -0.43 0.01 0.00 -0.05 0.00 0.00 56.93 56.33 1usy s PHE 79 Cb 0.09 0.35 0.00 0.00 -0.63 0.00 0.00 43.02 42.83 1usy s PHE 79 CO 0.81 -0.98 0.66 -0.06 -0.05 0.00 0.00 175.22 175.60 1usy s PHE 80 N -3.94 3.17 -0.20 3.49 0.08 -1.26 -2.33 117.98 116.99 1usy s PHE 80 Ca 0.14 0.16 -0.13 0.00 0.12 0.00 0.00 56.93 57.22 1usy s PHE 80 Cb -0.01 -2.34 -0.05 0.00 -0.57 0.00 0.00 43.02 40.06 1usy s PHE 80 CO 0.03 -0.39 0.27 0.42 -0.10 0.00 0.00 175.22 175.45 1usy s ILE 81 N -2.54 5.30 0.45 0.64 -1.09 0.43 -4.83 121.20 119.55 1usy s ILE 81 Ca 0.49 0.44 -0.24 0.00 -2.23 0.00 0.00 60.65 59.11 1usy s ILE 81 Cb -0.10 -3.60 -0.09 0.00 -1.58 0.00 0.00 42.46 37.08 1usy s ILE 81 CO 0.37 0.34 1.16 -2.65 -1.23 0.00 0.00 174.94 172.93 1usy n PRO 82 N 4.09 1.62 -3.62 2.79 -0.02 -1.26 -4.30 135.00 134.30 1usy n PRO 82 Ca -0.12 0.58 -0.08 0.00 -2.02 0.00 0.00 63.50 61.86 1usy n PRO 82 Cb 0.52 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 1usy n PRO 82 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1usy s THR 83 N -1.26 0.00 0.58 3.45 -1.32 -1.26 -5.01 115.64 110.81 1usy s THR 83 Ca 0.64 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.92 1usy s THR 83 Cb -0.51 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.44 1usy s THR 83 CO 0.56 0.00 1.28 0.20 -2.21 0.00 0.00 174.62 174.45 1usy s ASN 84 N -0.37 5.17 0.19 8.08 0.02 -1.26 -4.91 114.94 121.86 1usy s ASN 84 Ca 0.03 2.58 -0.32 0.00 -1.02 0.00 0.00 52.86 54.13 1usy s ASN 84 Cb -0.03 -2.62 -0.12 0.00 0.02 0.00 0.00 41.25 38.51 1usy s ASN 84 CO -0.06 -1.62 1.72 0.27 0.02 0.00 0.00 177.10 177.44 1usy s ILE 85 N -1.43 2.14 0.31 0.60 -4.36 -1.26 -4.98 121.20 112.22 1usy s ILE 85 Ca 0.75 0.07 0.04 0.00 -0.26 0.00 0.00 60.65 61.24 1usy s ILE 85 Cb -0.36 -3.04 -0.06 0.00 1.25 0.00 0.00 42.46 40.25 1usy s ILE 85 CO 0.40 0.00 0.05 -0.94 0.24 0.00 0.00 174.94 174.69 1usy s SER 86 N 1.35 2.25 -0.05 4.36 1.04 -1.25 -4.60 113.70 116.81 1usy s SER 86 Ca 0.75 -1.35 -0.09 0.00 0.48 0.00 0.00 55.95 55.74 1usy s SER 86 Cb -0.49 -0.06 0.02 0.00 0.10 0.00 0.00 66.02 65.59 1usy s SER 86 CO 0.32 -0.59 0.23 -0.13 0.98 0.00 0.00 173.24 174.05 1usy s ARG 87 N -3.89 0.41 -0.12 4.02 0.52 0.16 -0.88 118.95 119.17 1usy s ARG 87 Ca 0.35 0.04 -0.24 0.00 -0.52 0.00 0.00 55.73 55.37 1usy s ARG 87 Cb 0.08 0.18 -0.03 0.00 0.52 0.00 0.00 34.95 35.71 1usy s ARG 87 CO 0.15 -0.08 0.74 1.41 0.02 0.00 0.00 175.30 177.53 1usy s MET 88 N -0.55 4.35 0.11 3.54 1.75 0.12 0.53 119.30 129.16 1usy s MET 88 Ca -0.06 0.89 0.05 0.00 -1.25 0.00 0.00 55.69 55.32 1usy s MET 88 Cb -0.04 -3.52 -0.04 0.00 2.84 0.00 0.00 34.83 34.08 1usy s MET 88 CO 0.01 -0.13 -0.13 0.08 -0.65 0.00 0.00 175.02 174.21 1usy s VAL 89 N 1.47 1.20 0.08 10.11 1.01 -0.01 -1.73 120.40 132.53 1usy s VAL 89 Ca 0.37 -1.67 -0.15 0.00 0.00 0.00 0.00 61.98 60.53 1usy s VAL 89 Cb -0.17 -1.45 -0.06 0.00 0.00 0.00 0.00 36.38 34.70 1usy s VAL 89 CO 0.15 -0.45 0.50 -0.22 0.00 0.00 0.00 175.10 175.08 1usy s LEU 90 N -2.41 4.42 -0.01 3.92 2.96 -0.25 -1.82 118.68 125.48 1usy s LEU 90 Ca 0.07 1.05 -0.22 0.00 -0.22 0.00 0.00 54.13 54.81 1usy s LEU 90 Cb -0.05 -2.98 0.05 0.00 0.50 0.00 0.00 46.19 43.72 1usy s LEU 90 CO 0.02 0.21 0.49 0.00 -1.32 0.00 0.00 176.35 175.75 1usy s ALA 91 N -1.28 -1.26 0.27 5.97 0.00 0.65 -1.50 121.76 124.61 1usy s ALA 91 Ca 0.32 0.75 -0.15 0.00 0.00 0.00 0.00 51.96 52.88 1usy s ALA 91 Cb -0.16 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.08 1usy s ALA 91 CO 0.18 -0.36 0.55 0.20 0.00 0.00 0.00 175.76 176.33 1usy s GLY 92 N -1.43 0.41 0.50 0.00 0.00 -0.91 -0.03 107.32 105.87 1usy s GLY 92 Ca -0.11 -0.76 -0.21 0.00 0.00 0.00 0.00 44.72 43.64 1usy s GLY 92 CO 0.05 -0.50 0.88 -1.05 0.00 0.00 0.00 173.10 172.49 1usy n PRO 93 N -0.42 1.01 -1.79 2.90 -0.02 -1.26 -0.19 135.00 135.23 1usy n PRO 93 Ca -0.02 0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 61.42 1usy n PRO 93 Cb 0.61 -1.99 -0.01 0.00 -0.02 0.00 0.00 33.50 32.10 1usy n PRO 93 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1usy s LYS 94 N -2.23 4.11 -1.24 -0.52 2.20 -0.22 -2.74 119.74 119.10 1usy s LYS 94 Ca 0.68 2.58 -0.05 0.00 -0.36 0.00 0.00 55.97 58.82 1usy s LYS 94 Cb -0.49 -2.98 0.04 0.00 -1.51 0.00 0.00 37.83 32.88 1usy s LYS 94 CO 0.53 -0.56 0.32 0.41 -0.36 0.00 0.00 175.35 175.69 1usy n GLY 95 N 0.93 -0.50 0.00 5.54 0.00 -1.26 -4.85 105.19 105.06 1usy n GLY 95 Ca 0.03 0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.18 1usy n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1usy n ARG 96 N -3.43 0.98 -0.95 1.61 1.74 -1.11 -5.12 116.66 110.38 1usy n ARG 96 Ca -0.08 -0.09 0.13 0.00 -0.77 0.00 0.00 57.85 57.04 1usy n ARG 96 Cb 0.58 -1.28 -0.03 0.00 -1.02 0.00 0.00 32.46 30.70 1usy n ARG 96 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1usy n GLY 97 N 1.60 -1.24 3.64 -0.13 0.00 -1.26 -4.55 105.19 103.25 1usy n GLY 97 Ca -0.01 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 1usy n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1usy s ILE 98 N -1.87 4.00 0.12 -0.61 1.09 -1.26 -4.96 121.20 117.71 1usy s ILE 98 Ca 0.00 1.17 -0.31 0.00 -1.10 0.00 0.00 60.65 60.41 1usy s ILE 98 Cb 0.00 -3.91 -0.08 0.00 -1.06 0.00 0.00 42.46 37.41 1usy s ILE 98 CO 0.00 -0.27 1.36 -2.16 -0.10 0.00 0.00 174.94 173.76 1usy s PRO 99 N 4.07 4.34 -0.34 2.79 0.04 -1.26 -4.99 135.00 139.66 1usy s PRO 99 Ca 0.62 2.04 -0.10 0.00 0.04 0.00 0.00 61.00 63.60 1usy s PRO 99 Cb -0.22 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.08 1usy s PRO 99 CO 0.23 -0.39 0.18 -1.83 0.04 0.00 0.00 177.00 175.22 1usy s GLU 100 N 0.90 3.14 0.22 4.56 1.03 -1.26 -4.23 118.70 123.05 1usy s GLU 100 Ca 0.63 -0.86 0.00 0.00 0.03 0.00 0.00 54.97 54.77 1usy s GLU 100 Cb -0.36 -3.64 0.00 0.00 -0.80 0.00 0.00 34.13 29.33 1usy s GLU 100 CO 0.31 -0.53 0.00 0.41 -1.33 0.00 0.00 175.26 174.13 1usy n GLY 101 N 4.99 -1.75 0.26 -3.83 0.00 -1.26 -4.98 105.19 98.61 1usy n GLY 101 Ca -0.13 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1usy n GLY 101 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1usy n GLU 102 N -2.98 0.00 -0.79 1.61 0.28 -1.26 -5.04 120.64 112.46 1usy n GLU 102 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1usy n GLU 102 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1usy n GLU 102 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1usy n LYS 103 N 0.00 -0.29 -2.99 3.44 2.85 -1.24 -3.67 118.16 116.26 1usy n LYS 103 Ca 0.00 0.29 -0.41 0.00 -1.05 0.00 0.00 58.31 57.14 1usy n LYS 103 Cb 0.27 -0.20 -0.05 0.00 -0.65 0.00 0.00 35.03 34.40 1usy n LYS 103 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1usy s ARG 104 N -0.02 4.22 -0.06 -1.58 3.52 -1.26 -3.02 118.95 120.75 1usy s ARG 104 Ca 0.00 0.82 0.02 0.00 -0.13 0.00 0.00 55.73 56.45 1usy s ARG 104 Cb 0.00 -3.60 0.01 0.00 -1.56 0.00 0.00 34.95 29.80 1usy s ARG 104 CO 0.00 -0.35 -0.13 0.42 -0.81 0.00 0.00 175.30 174.43 1usy s ILE 105 N 2.26 1.18 -0.03 4.11 1.01 -0.29 -0.21 121.20 129.23 1usy s ILE 105 Ca 0.33 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 1usy s ILE 105 Cb -0.16 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1usy s ILE 105 CO 0.10 0.36 0.07 0.00 0.00 0.00 0.00 174.94 175.47 1usy s ALA 106 N 0.59 3.54 0.20 9.38 0.00 0.59 -0.85 121.76 135.21 1usy s ALA 106 Ca -0.14 -0.84 -0.11 0.00 0.00 0.00 0.00 51.96 50.88 1usy s ALA 106 Cb -0.15 -1.59 -0.00 0.00 0.00 0.00 0.00 23.12 21.37 1usy s ALA 106 CO 0.04 0.66 0.36 0.95 0.00 0.00 0.00 175.76 177.78 1usy s THR 107 N -1.12 0.03 -1.54 0.00 -4.23 -1.13 -1.68 115.64 105.97 1usy s THR 107 Ca 0.20 -1.36 0.27 0.00 -1.18 0.00 0.00 61.69 59.62 1usy s THR 107 Cb -0.12 -1.97 0.27 0.00 1.34 0.00 0.00 72.50 72.02 1usy s THR 107 CO 0.11 -0.16 1.64 0.29 -0.54 0.00 0.00 174.62 175.96 1usy n LYS 108 N -0.29 0.59 -3.20 3.99 5.02 -1.25 -0.30 118.16 122.73 1usy n LYS 108 Ca -0.05 -0.30 -0.27 0.00 -2.02 0.00 0.00 58.31 55.66 1usy n LYS 108 Cb 0.63 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 34.08 1usy n LYS 108 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1usy n PHE 109 N -0.94 3.80 -0.32 2.13 3.01 -1.26 -4.91 117.46 118.97 1usy n PHE 109 Ca 0.11 -4.05 0.10 0.00 1.01 0.00 0.00 57.45 54.62 1usy n PHE 109 Cb 0.33 -0.55 0.27 0.00 -0.01 0.00 0.00 39.48 39.51 1usy n PHE 109 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1usy h PRO 110 N 3.70 0.62 0.24 -1.08 0.13 -1.96 -0.40 132.00 133.25 1usy h PRO 110 Ca 0.18 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 1usy h PRO 110 Cb 0.59 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.58 1usy h PRO 110 CO 0.84 0.41 -0.12 -0.91 -0.23 0.00 0.00 178.00 178.00 1usy h ASN 111 N 0.64 -0.27 -0.70 1.44 4.21 -1.91 1.20 115.58 120.19 1usy h ASN 111 Ca 0.51 -0.07 0.03 0.00 1.21 0.00 0.00 56.30 57.98 1usy h ASN 111 Cb 0.79 0.07 -0.05 0.00 -1.12 0.00 0.00 38.32 38.02 1usy h ASN 111 CO -0.39 -0.10 0.43 0.58 -1.29 0.00 0.00 177.43 176.66 1usy h VAL 112 N -0.44 1.08 0.00 2.81 2.07 -1.72 -1.56 116.25 118.50 1usy h VAL 112 Ca -0.03 -0.29 -0.18 0.00 0.82 0.00 0.00 66.70 67.02 1usy h VAL 112 Cb 0.33 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1usy h VAL 112 CO 0.05 0.15 -0.84 0.00 0.02 0.00 0.00 177.57 176.95 1usy h THR 113 N 0.84 1.57 0.00 2.57 1.03 -0.71 -1.03 112.91 117.17 1usy h THR 113 Ca 0.28 -2.93 -0.03 0.00 -0.01 0.00 0.00 66.41 63.72 1usy h THR 113 Cb 0.04 2.60 -0.00 0.00 -1.07 0.00 0.00 68.15 69.71 1usy h THR 113 CO -0.12 0.83 -0.16 -0.61 -0.01 0.00 0.00 175.52 175.45 1usy h GLN 114 N 0.00 0.00 0.18 0.00 4.15 0.19 -1.83 115.11 117.80 1usy h GLN 114 Ca -0.01 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.15 1usy h GLN 114 Cb 1.53 0.00 0.03 0.00 0.21 0.00 0.00 27.48 29.24 1usy h GLN 114 CO 0.11 0.16 -1.18 0.00 -1.93 0.00 0.00 178.83 175.99 1usy h ARG 115 N 0.00 0.39 -0.84 1.69 3.08 -1.18 -3.22 114.38 114.31 1usy h ARG 115 Ca -0.00 -0.67 0.08 0.00 0.07 0.00 0.00 59.98 59.46 1usy h ARG 115 Cb 0.28 0.25 -0.07 0.00 0.08 0.00 0.00 29.97 30.52 1usy h ARG 115 CO 0.02 1.32 0.50 -0.92 -1.07 0.00 0.00 179.97 179.82 1usy h TYR 116 N -0.15 0.92 -0.80 3.04 3.20 -0.87 -0.99 116.97 121.33 1usy h TYR 116 Ca -0.21 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.65 1usy h TYR 116 Cb 1.88 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 39.82 1usy h TYR 116 CO 0.16 0.43 0.37 0.00 -1.64 0.00 0.00 178.16 177.48 1usy h GLU 118 N 1.13 -0.16 -0.61 0.00 5.08 -1.37 0.35 114.58 119.00 1usy h GLU 118 Ca 0.27 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.75 1usy h GLU 118 Cb 0.14 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1usy h GLU 118 CO -0.03 0.01 0.41 0.66 -1.00 0.00 0.00 179.01 179.06 1usy h SER 119 N -0.30 0.36 -0.16 1.42 4.64 -0.96 0.93 113.55 119.48 1usy h SER 119 Ca -0.02 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1usy h SER 119 Cb 0.24 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1usy h SER 119 CO 0.03 0.21 0.00 0.29 -0.87 0.00 0.00 176.83 176.49 1usy n LYS 120 N -4.47 1.94 -3.86 4.77 4.76 -0.87 -4.96 118.16 115.47 1usy n LYS 120 Ca 0.10 -1.40 -0.28 0.00 -2.87 0.00 0.00 58.31 53.86 1usy n LYS 120 Cb 0.39 -1.45 0.03 0.00 -1.84 0.00 0.00 35.03 32.17 1usy n LYS 120 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1usy n GLY 121 N 1.24 -0.44 3.96 0.72 0.00 0.32 -5.01 105.19 105.98 1usy n GLY 121 Ca 0.17 0.18 -0.23 0.00 0.00 0.00 0.00 46.02 46.15 1usy n GLY 121 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1usy s TRP 122 N -3.40 3.04 -0.19 1.61 0.51 0.11 -5.01 118.94 115.61 1usy s TRP 122 Ca 0.50 0.17 0.00 0.00 -2.12 0.00 0.00 56.10 54.65 1usy s TRP 122 Cb -0.25 -2.60 0.02 0.00 -0.81 0.00 0.00 33.47 29.82 1usy s TRP 122 CO 0.83 -0.70 -0.16 -1.01 -0.51 0.00 0.00 176.95 175.39 1usy s HIS 123 N -2.73 2.83 -0.00 -1.98 3.76 -1.26 -4.64 115.29 111.27 1usy s HIS 123 Ca 0.54 -1.53 -0.02 0.00 -0.15 0.00 0.00 55.06 53.90 1usy s HIS 123 Cb -0.10 -1.96 -0.00 0.00 1.11 0.00 0.00 32.58 31.62 1usy s HIS 123 CO 0.39 -0.76 0.04 0.00 -0.85 0.00 0.00 174.74 173.56 1usy s ARG 125 N -0.66 3.93 -0.26 0.00 6.06 -1.17 -4.99 118.95 121.85 1usy s ARG 125 Ca -0.07 -0.06 -0.15 0.00 -2.50 0.00 0.00 55.73 52.95 1usy s ARG 125 Cb -0.05 -3.69 -0.04 0.00 0.06 0.00 0.00 34.95 31.24 1usy s ARG 125 CO -0.00 -0.33 0.38 0.42 -2.50 0.00 0.00 175.30 173.28 1usy s ILE 126 N 2.06 5.17 -0.44 4.11 1.01 -1.26 -1.14 121.20 130.71 1usy s ILE 126 Ca 0.14 0.60 -0.13 0.00 0.00 0.00 0.00 60.65 61.26 1usy s ILE 126 Cb -0.16 -3.71 0.07 0.00 0.01 0.00 0.00 42.46 38.67 1usy s ILE 126 CO 0.10 0.16 0.33 -0.63 0.00 0.00 0.00 174.94 174.90 1usy s ILE 127 N 2.04 4.79 0.12 2.92 -1.09 -0.03 -4.99 121.20 124.96 1usy s ILE 127 Ca 0.16 -1.17 -0.30 0.00 -2.23 0.00 0.00 60.65 57.11 1usy s ILE 127 Cb -0.16 -3.87 -0.07 0.00 -1.58 0.00 0.00 42.46 36.79 1usy s ILE 127 CO 0.10 -0.52 1.16 -2.16 -1.23 0.00 0.00 174.94 172.29 1usy s PRO 128 N 1.55 4.50 0.30 2.79 0.05 -1.26 -2.82 135.00 140.11 1usy s PRO 128 Ca 0.03 1.77 0.03 0.00 0.05 0.00 0.00 61.00 62.88 1usy s PRO 128 Cb -0.23 -3.30 -0.06 0.00 0.05 0.00 0.00 34.50 30.96 1usy s PRO 128 CO 0.05 -0.11 0.08 -0.51 0.05 0.00 0.00 177.00 176.55 1usy s LEU 129 N 0.34 1.94 -0.01 -3.56 1.43 0.60 -4.92 118.68 114.49 1usy s LEU 129 Ca 0.54 -1.40 0.15 0.00 -1.03 0.00 0.00 54.13 52.39 1usy s LEU 129 Cb -0.30 -0.19 -0.18 0.00 0.03 0.00 0.00 46.19 45.55 1usy s LEU 129 CO 0.33 -0.68 0.52 0.29 0.23 0.00 0.00 176.35 177.04 1usy n LYS 130 N -0.60 1.67 -3.40 1.70 4.01 -1.26 -3.84 118.16 116.43 1usy n LYS 130 Ca -0.01 -0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.74 1usy n LYS 130 Cb 0.66 -1.24 0.00 0.00 -0.51 0.00 0.00 35.03 33.95 1usy n LYS 130 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1usy n GLY 131 N 1.44 -1.64 2.99 0.72 0.00 -1.26 -4.98 105.19 102.45 1usy n GLY 131 Ca 0.01 -1.08 -0.14 0.00 0.00 0.00 0.00 46.02 44.82 1usy n GLY 131 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1usy n SER 132 N 1.21 -2.16 0.31 1.61 7.64 -1.26 -4.77 113.62 116.20 1usy n SER 132 Ca 0.00 -0.01 0.20 0.00 1.01 0.00 0.00 58.87 60.07 1usy n SER 132 Cb 0.00 -1.90 0.95 0.00 -1.01 0.00 0.00 64.21 62.26 1usy n SER 132 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1usy h VAL 133 N -0.33 0.01 0.00 0.44 3.04 -1.97 -2.33 116.25 115.11 1usy h VAL 133 Ca -0.23 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 1usy h VAL 133 Cb 1.16 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 31.69 1usy h VAL 133 CO 0.31 0.00 0.00 -0.62 -1.01 0.00 0.00 177.57 176.25 1usy n GLU 134 N -3.09 0.01 0.12 4.17 4.71 -1.26 -2.33 120.64 122.97 1usy n GLU 134 Ca -0.01 0.11 -0.02 0.00 -0.01 0.00 0.00 57.16 57.23 1usy n GLU 134 Cb 0.19 -1.50 0.10 0.00 -1.01 0.00 0.00 31.44 29.22 1usy n GLU 134 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1usy h LEU 135 N 0.00 0.00 -0.43 -4.62 3.38 -1.79 -3.38 115.31 108.47 1usy h LEU 135 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1usy h LEU 135 Cb 0.39 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 1usy h LEU 135 CO 0.00 0.68 -0.10 0.00 0.09 0.00 0.00 178.44 179.11 1usy h ALA 136 N 1.32 0.29 -0.13 1.53 0.00 -1.66 0.76 119.26 121.38 1usy h ALA 136 Ca -0.01 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1usy h ALA 136 Cb 1.29 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 1usy h ALA 136 CO 0.09 -0.45 -0.05 -1.35 0.00 0.00 0.00 179.25 177.49 1usy h PRO 137 N 0.00 -0.03 -0.74 0.00 0.11 -1.73 0.29 132.00 129.91 1usy h PRO 137 Ca 0.21 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.39 1usy h PRO 137 Cb 0.32 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.37 1usy h PRO 137 CO -0.44 -0.02 0.42 0.82 -0.21 0.00 0.00 178.00 178.56 1usy h ILE 138 N -0.03 0.95 0.00 4.15 2.04 -1.25 -2.14 117.51 121.22 1usy h ILE 138 Ca 0.07 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1usy h ILE 138 Cb 0.13 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1usy h ILE 138 CO -0.15 0.13 -0.08 0.00 0.00 0.00 0.00 178.15 178.05 1usy n ALA 139 N -2.37 2.37 -0.60 1.87 0.00 0.08 -4.92 120.51 116.94 1usy n ALA 139 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1usy n ALA 139 Cb 0.21 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1usy n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1usy n GLY 140 N 1.32 0.69 0.13 0.00 0.00 -0.22 -4.93 105.19 102.18 1usy n GLY 140 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1usy n GLY 140 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1usy h LEU 141 N 0.00 0.00 -7.88 0.99 5.85 -0.74 -3.46 115.31 110.07 1usy h LEU 141 Ca 0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1usy h LEU 141 Cb 0.00 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 40.90 1usy h LEU 141 CO 0.00 0.62 -0.31 -0.94 -0.34 0.00 0.00 178.44 177.47 1usy s SER 142 N -6.57 0.05 0.21 1.25 1.04 -0.97 -4.95 113.70 103.75 1usy s SER 142 Ca 0.02 -0.70 0.23 0.00 0.48 0.00 0.00 55.95 55.97 1usy s SER 142 Cb 0.10 0.39 0.08 0.00 0.10 0.00 0.00 66.02 66.69 1usy s SER 142 CO 0.75 -0.81 1.13 0.44 0.98 0.00 0.00 173.24 175.73 1usy h ASP 143 N 2.62 0.00 -5.16 7.02 3.32 -1.46 -3.27 116.42 119.49 1usy h ASP 143 Ca -0.33 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 56.59 1usy h ASP 143 Cb 1.22 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.63 1usy h ASP 143 CO 0.52 0.02 -0.39 -0.76 -1.72 0.00 0.00 179.24 176.91 1usy s LEU 144 N -5.25 1.49 0.13 1.55 1.43 0.71 -4.50 118.68 114.24 1usy s LEU 144 Ca 0.01 -0.66 0.05 0.00 -1.03 0.00 0.00 54.13 52.50 1usy s LEU 144 Cb 0.10 0.98 -0.04 0.00 0.03 0.00 0.00 46.19 47.26 1usy s LEU 144 CO 0.77 -0.71 -0.12 0.27 0.23 0.00 0.00 176.35 176.79 1usy s ILE 145 N -3.80 1.21 -0.20 -0.59 -4.36 0.95 -0.30 121.20 114.10 1usy s ILE 145 Ca 0.05 -1.88 0.01 0.00 -0.26 0.00 0.00 60.65 58.56 1usy s ILE 145 Cb 0.05 -1.67 0.04 0.00 1.25 0.00 0.00 42.46 42.14 1usy s ILE 145 CO -0.11 -0.60 -0.09 -0.69 0.24 0.00 0.00 174.94 173.69 1usy s VAL 146 N -2.77 1.62 0.24 8.37 1.01 -0.68 -0.25 120.40 127.94 1usy s VAL 146 Ca 0.12 -1.03 -0.13 0.00 0.00 0.00 0.00 61.98 60.95 1usy s VAL 146 Cb -0.01 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.65 1usy s VAL 146 CO 0.02 0.13 0.47 -0.62 0.00 0.00 0.00 175.10 175.10 1usy s ASP 147 N 1.40 -0.09 0.43 3.32 2.15 -0.76 -4.37 116.67 118.75 1usy s ASP 147 Ca -0.02 -0.91 -0.22 0.00 0.43 0.00 0.00 52.55 51.83 1usy s ASP 147 Cb -0.17 0.58 -0.10 0.00 -0.30 0.00 0.00 42.92 42.93 1usy s ASP 147 CO -0.08 -1.13 0.99 -0.63 -0.17 0.00 0.00 175.17 174.15 1usy s ILE 148 N -4.01 4.12 0.02 4.11 -1.09 -1.26 -0.83 121.20 122.26 1usy s ILE 148 Ca 0.22 1.40 0.00 0.00 -2.23 0.00 0.00 60.65 60.04 1usy s ILE 148 Cb -0.00 -3.61 -0.02 0.00 -1.58 0.00 0.00 42.46 37.25 1usy s ILE 148 CO 0.08 -0.21 -0.03 0.28 -1.23 0.00 0.00 174.94 173.83 1usy s THR 149 N -2.00 0.17 0.00 2.92 -1.32 0.19 -4.89 115.64 110.70 1usy s THR 149 Ca 0.62 -0.85 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 1usy s THR 149 Cb -0.14 -0.29 0.00 0.00 -1.51 0.00 0.00 72.50 70.56 1usy s THR 149 CO 0.18 -0.43 0.00 -0.62 -2.21 0.00 0.00 174.62 171.53 1usy n GLU 150 N 1.72 0.00 0.07 7.08 1.02 -1.26 0.40 120.64 129.66 1usy n GLU 150 Ca -0.23 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.79 1usy n GLU 150 Cb 0.55 -0.01 -0.13 0.00 -0.02 0.00 0.00 31.44 31.83 1usy n GLU 150 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1usy h THR 151 N 0.00 1.43 -3.20 2.62 1.35 -1.99 -3.47 112.91 109.64 1usy h THR 151 Ca 0.00 -3.10 -0.03 0.00 -0.55 0.00 0.00 66.41 62.73 1usy h THR 151 Cb 0.00 2.81 0.02 0.00 -1.73 0.00 0.00 68.15 69.25 1usy h THR 151 CO 0.00 0.86 -0.10 0.61 -0.25 0.00 0.00 175.52 176.65 1usy n GLY 152 N 1.50 0.65 0.32 5.82 0.00 -1.26 -5.01 105.19 107.20 1usy n GLY 152 Ca -0.08 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 1usy n GLY 152 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1usy n ARG 153 N -1.67 0.44 -0.20 1.61 0.63 -1.26 -4.19 116.66 112.03 1usy n ARG 153 Ca -0.01 0.19 0.14 0.00 -0.92 0.00 0.00 57.85 57.25 1usy n ARG 153 Cb 0.51 -1.26 0.46 0.00 0.45 0.00 0.00 32.46 32.63 1usy n ARG 153 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1usy h THR 154 N -0.78 0.81 -0.06 5.15 2.02 -1.99 0.17 112.91 118.24 1usy h THR 154 Ca -0.36 -0.18 -0.19 0.00 0.77 0.00 0.00 66.41 66.45 1usy h THR 154 Cb 1.24 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1usy h THR 154 CO -0.22 0.09 -0.77 0.25 0.37 0.00 0.00 175.52 175.25 1usy h LEU 155 N 0.51 0.45 0.00 2.58 5.85 -1.90 -2.74 115.31 120.07 1usy h LEU 155 Ca 0.39 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1usy h LEU 155 Cb 0.79 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1usy h LEU 155 CO -0.15 1.06 -0.24 0.11 -0.34 0.00 0.00 178.44 178.88 1usy h LYS 156 N 0.25 0.00 -0.07 1.25 1.57 -0.94 0.22 116.57 118.84 1usy h LYS 156 Ca -0.04 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.51 1usy h LYS 156 Cb 1.35 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.67 1usy h LYS 156 CO 0.13 0.00 -0.89 0.93 -0.57 0.00 0.00 179.45 179.05 1usy h GLU 157 N 0.00 0.69 -0.66 3.15 5.08 -0.91 -3.27 114.58 118.66 1usy h GLU 157 Ca 0.00 -0.64 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 1usy h GLU 157 Cb 0.93 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1usy h GLU 157 CO 0.00 1.24 0.00 0.09 -1.00 0.00 0.00 179.01 179.34 1usy n ASN 158 N -3.88 4.53 -4.27 1.42 3.02 -1.04 -4.92 115.26 110.13 1usy n ASN 158 Ca -0.08 -2.64 -0.35 0.00 -0.03 0.00 0.00 54.58 51.47 1usy n ASN 158 Cb 0.80 -0.62 -0.07 0.00 -0.61 0.00 0.00 39.78 39.28 1usy n ASN 158 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1usy n ASN 159 N 0.57 -0.18 -4.79 6.41 3.02 -1.17 -4.88 115.26 114.24 1usy n ASN 159 Ca 0.21 -1.29 -0.30 0.00 -0.03 0.00 0.00 54.58 53.18 1usy n ASN 159 Cb 0.94 -1.58 -0.06 0.00 -0.61 0.00 0.00 39.78 38.46 1usy n ASN 159 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1usy s LEU 160 N -7.41 3.84 -0.02 3.41 1.02 0.75 -1.05 118.68 119.22 1usy s LEU 160 Ca 0.11 -0.02 0.08 0.00 0.02 0.00 0.00 54.13 54.33 1usy s LEU 160 Cb -0.06 -2.50 -0.02 0.00 0.02 0.00 0.00 46.19 43.63 1usy s LEU 160 CO 0.99 0.15 -0.25 -1.61 0.02 0.00 0.00 176.35 175.65 1usy s GLU 161 N -2.54 2.04 -0.27 1.70 2.02 0.73 -4.40 118.70 117.98 1usy s GLU 161 Ca 0.30 -0.91 -0.29 0.00 0.02 0.00 0.00 54.97 54.09 1usy s GLU 161 Cb -0.12 -1.98 -0.02 0.00 0.10 0.00 0.00 34.13 32.12 1usy s GLU 161 CO 0.23 0.54 1.63 0.42 0.02 0.00 0.00 175.26 178.10 1usy s ILE 162 N -0.60 3.67 -0.78 -1.63 1.01 -1.26 -2.13 121.20 119.48 1usy s ILE 162 Ca 0.10 0.73 0.23 0.00 0.00 0.00 0.00 60.65 61.71 1usy s ILE 162 Cb -0.10 -3.76 -0.12 0.00 0.01 0.00 0.00 42.46 38.49 1usy s ILE 162 CO -0.01 -0.38 1.06 0.18 0.00 0.00 0.00 174.94 175.79 1usy n LEU 163 N 8.93 0.67 -3.65 2.97 4.77 -0.56 -4.97 117.00 125.16 1usy n LEU 163 Ca 0.19 -0.14 -0.02 0.00 -0.03 0.00 0.00 56.01 56.01 1usy n LEU 163 Cb 0.46 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.38 1usy n LEU 163 CO 0.66 0.11 1.17 -0.62 -1.33 0.00 0.00 177.39 177.39 1usy s ASP 164 N -3.49 -0.04 -0.38 -1.43 3.68 -1.16 -4.98 116.67 108.87 1usy s ASP 164 Ca 0.06 0.07 -0.14 0.00 2.13 0.00 0.00 52.55 54.67 1usy s ASP 164 Cb 0.15 0.07 0.01 0.00 -1.45 0.00 0.00 42.92 41.70 1usy s ASP 164 CO 0.80 -0.02 0.28 -1.61 0.13 0.00 0.00 175.17 174.75 1usy s GLU 165 N -0.19 3.17 -0.12 4.34 2.02 -1.26 -1.09 118.70 125.57 1usy s GLU 165 Ca 0.08 -0.87 -0.15 0.00 0.02 0.00 0.00 54.97 54.05 1usy s GLU 165 Cb -0.04 -3.91 -0.13 0.00 0.10 0.00 0.00 34.13 30.15 1usy s GLU 165 CO -0.14 -0.63 0.36 0.82 0.02 0.00 0.00 175.26 175.68 1usy h ILE 166 N 5.58 0.87 -3.05 -1.63 2.04 -1.69 -3.49 117.51 116.13 1usy h ILE 166 Ca -0.29 -1.67 -0.02 0.00 1.00 0.00 0.00 64.86 63.88 1usy h ILE 166 Cb 1.13 1.65 -0.12 0.00 -0.74 0.00 0.00 36.82 38.75 1usy h ILE 166 CO 0.69 0.29 0.17 0.72 0.00 0.00 0.00 178.15 180.03 1usy s PHE 167 N -1.91 -0.49 0.04 1.37 -0.12 -1.18 -5.03 117.98 110.65 1usy s PHE 167 Ca -0.10 0.27 -0.03 0.00 -0.05 0.00 0.00 56.93 57.01 1usy s PHE 167 Cb -0.01 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 1usy s PHE 167 CO 0.35 -0.83 0.24 0.54 -0.05 0.00 0.00 175.22 175.46 1usy s VAL 168 N -3.76 5.36 0.00 -2.49 0.11 -1.26 0.15 120.40 118.51 1usy s VAL 168 Ca 0.01 -0.13 0.04 0.00 -2.93 0.00 0.00 61.98 58.98 1usy s VAL 168 Cb -0.01 -3.58 -0.03 0.00 -1.53 0.00 0.00 36.38 31.23 1usy s VAL 168 CO -0.13 0.24 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.15 1usy s ILE 169 N -1.42 3.38 0.01 7.04 1.01 -0.06 -4.89 121.20 126.29 1usy s ILE 169 Ca 0.31 -0.84 -0.09 0.00 0.00 0.00 0.00 60.65 60.03 1usy s ILE 169 Cb -0.13 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.91 1usy s ILE 169 CO 0.22 0.42 0.17 -0.13 0.00 0.00 0.00 174.94 175.61 1usy s ARG 170 N -1.30 0.57 -0.26 2.79 0.52 -1.26 -3.84 118.95 116.17 1usy s ARG 170 Ca 0.16 -0.46 -0.13 0.00 -0.52 0.00 0.00 55.73 54.78 1usy s ARG 170 Cb -0.11 0.24 -0.04 0.00 0.52 0.00 0.00 34.95 35.55 1usy s ARG 170 CO 0.06 -0.15 0.27 0.99 0.02 0.00 0.00 175.30 176.49 1usy s THR 171 N -1.77 5.26 0.03 0.02 2.01 -1.26 -1.87 115.64 118.07 1usy s THR 171 Ca -0.11 0.37 0.01 0.00 0.31 0.00 0.00 61.69 62.27 1usy s THR 171 Cb -0.05 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1usy s THR 171 CO 0.00 0.24 0.06 -1.00 -0.69 0.00 0.00 174.62 173.23 1usy s HIS 172 N 1.66 3.20 0.10 4.92 0.09 0.34 -0.43 115.29 125.17 1usy s HIS 172 Ca 0.11 0.13 -0.25 0.00 -0.00 0.00 0.00 55.06 55.05 1usy s HIS 172 Cb -0.15 -1.68 -0.07 0.00 -0.00 0.00 0.00 32.58 30.69 1usy s HIS 172 CO 0.09 0.52 0.77 0.54 -0.00 0.00 0.00 174.74 176.66 1usy s VAL 173 N -1.25 4.58 0.09 -0.90 0.11 -0.98 -0.61 120.40 121.42 1usy s VAL 173 Ca 0.25 1.67 0.07 0.00 -2.93 0.00 0.00 61.98 61.03 1usy s VAL 173 Cb -0.12 -4.13 -0.03 0.00 -1.53 0.00 0.00 36.38 30.57 1usy s VAL 173 CO 0.16 0.43 -0.18 0.68 -3.33 0.00 0.00 175.10 172.86 1usy s VAL 174 N -0.52 1.49 -0.04 2.04 -7.23 0.26 -3.71 120.40 112.70 1usy s VAL 174 Ca 0.37 -1.43 0.02 0.00 -1.81 0.00 0.00 61.98 59.13 1usy s VAL 174 Cb -0.22 -1.38 0.01 0.00 0.56 0.00 0.00 36.38 35.36 1usy s VAL 174 CO 0.24 -0.10 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.17 1usy s VAL 175 N -1.17 0.72 0.14 1.32 1.01 0.15 -1.18 120.40 121.39 1usy s VAL 175 Ca 0.04 -0.26 -0.31 0.00 0.00 0.00 0.00 61.98 61.44 1usy s VAL 175 Cb -0.10 -0.68 -0.09 0.00 0.00 0.00 0.00 36.38 35.50 1usy s VAL 175 CO 0.03 0.25 1.53 0.21 0.00 0.00 0.00 175.10 177.13 1usy s ASN 176 N 0.61 6.65 0.53 3.32 3.84 -0.52 -2.28 114.94 127.09 1usy s ASN 176 Ca -0.09 2.53 0.32 0.00 0.21 0.00 0.00 52.86 55.83 1usy s ASN 176 Cb -0.13 -2.59 1.35 0.00 -0.55 0.00 0.00 41.25 39.34 1usy s ASN 176 CO 0.01 -0.79 1.99 1.55 -2.79 0.00 0.00 177.10 177.06 1usy h PRO 177 N 6.96 0.00 0.18 0.43 0.14 -1.92 -2.46 132.00 135.33 1usy h PRO 177 Ca -0.42 0.00 -0.31 0.00 0.14 0.00 0.00 66.00 65.41 1usy h PRO 177 Cb 1.20 0.00 0.03 0.00 0.14 0.00 0.00 31.00 32.37 1usy h PRO 177 CO 0.90 0.06 -1.34 -0.39 0.14 0.00 0.00 178.00 177.38 1usy h VAL 178 N 0.00 1.35 0.00 1.56 -1.51 -1.98 -3.31 116.25 112.35 1usy h VAL 178 Ca -0.00 -2.73 -0.01 0.00 -1.23 0.00 0.00 66.70 62.73 1usy h VAL 178 Cb 0.51 2.90 -0.00 0.00 -2.13 0.00 0.00 31.29 32.57 1usy h VAL 178 CO 0.01 0.81 -0.05 0.77 -1.23 0.00 0.00 177.57 177.88 1usy h SER 179 N 0.16 0.00 0.00 4.19 4.64 -1.86 0.34 113.55 121.02 1usy h SER 179 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1usy h SER 179 Cb 2.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.12 1usy h SER 179 CO 0.24 0.05 0.08 0.22 -0.87 0.00 0.00 176.83 176.56 1usy h TYR 180 N 0.00 0.00 0.00 4.77 5.03 -1.54 0.11 116.97 125.35 1usy h TYR 180 Ca -0.00 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.22 1usy h TYR 180 Cb 0.86 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.12 1usy h TYR 180 CO 0.00 0.00 -1.35 0.54 -1.32 0.00 0.00 178.16 176.03 1usy n ARG 181 N -2.42 2.50 -0.02 1.82 1.74 0.89 -4.00 116.66 117.17 1usy n ARG 181 Ca -0.02 0.01 -0.16 0.00 -0.77 0.00 0.00 57.85 56.91 1usy n ARG 181 Cb 0.12 -1.13 -0.11 0.00 -1.02 0.00 0.00 32.46 30.32 1usy n ARG 181 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1usy h THR 182 N 0.00 1.51 -0.74 0.55 1.35 -0.58 -3.30 112.91 111.69 1usy h THR 182 Ca -0.14 -1.96 -0.43 0.00 -0.55 0.00 0.00 66.41 63.33 1usy h THR 182 Cb 1.29 2.69 -0.24 0.00 -1.73 0.00 0.00 68.15 70.16 1usy h THR 182 CO 0.00 0.55 0.28 0.29 -0.25 0.00 0.00 175.52 176.39 1usy n LYS 183 N -4.43 2.32 -0.22 4.72 5.02 0.39 -4.87 118.16 121.09 1usy n LYS 183 Ca -0.10 -3.25 -0.02 0.00 -2.02 0.00 0.00 58.31 52.92 1usy n LYS 183 Cb 0.54 -2.08 0.04 0.00 -0.02 0.00 0.00 35.03 33.52 1usy n LYS 183 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1usy h ARG 184 N 1.31 -0.07 -0.24 1.97 2.43 -1.63 -0.87 114.38 117.27 1usy h ARG 184 Ca 0.46 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.68 1usy h ARG 184 Cb 1.90 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 31.42 1usy h ARG 184 CO 0.91 -0.05 -0.05 1.49 -1.51 0.00 0.00 179.97 180.76 1usy h GLU 185 N -0.08 0.01 0.34 0.20 4.57 -1.89 -1.64 114.58 116.10 1usy h GLU 185 Ca 0.28 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.45 1usy h GLU 185 Cb 0.52 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1usy h GLU 185 CO -0.69 0.01 -0.20 0.93 -1.18 0.00 0.00 179.01 177.88 1usy h GLU 186 N 0.01 -0.50 -0.59 1.92 5.08 -1.60 -2.27 114.58 116.63 1usy h GLU 186 Ca 0.12 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.63 1usy h GLU 186 Cb 0.17 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.45 1usy h GLU 186 CO -0.24 -0.33 0.09 0.28 -1.00 0.00 0.00 179.01 177.80 1usy h VAL 187 N -0.52 0.60 -0.22 3.13 2.07 -1.23 -1.56 116.25 118.53 1usy h VAL 187 Ca -0.04 -0.07 -0.21 0.00 0.82 0.00 0.00 66.70 67.20 1usy h VAL 187 Cb 0.42 0.37 0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1usy h VAL 187 CO 0.04 0.04 -0.67 0.58 0.02 0.00 0.00 177.57 177.58 1usy h VAL 188 N 0.21 1.27 0.42 2.57 2.07 -1.21 0.98 116.25 122.55 1usy h VAL 188 Ca 0.31 -1.86 -0.01 0.00 0.82 0.00 0.00 66.70 65.97 1usy h VAL 188 Cb 0.48 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1usy h VAL 188 CO -0.43 0.60 -0.39 0.28 0.02 0.00 0.00 177.57 177.65 1usy h SER 189 N 0.61 -1.04 -0.84 0.57 0.02 -1.11 -1.14 113.55 110.63 1usy h SER 189 Ca -0.02 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1usy h SER 189 Cb 1.29 0.34 -0.04 0.00 0.14 0.00 0.00 62.40 64.13 1usy h SER 189 CO 0.14 -0.54 0.55 0.15 -1.14 0.00 0.00 176.83 175.99 1usy h PHE 190 N -0.82 1.04 -0.26 3.45 3.04 -1.20 -1.10 116.94 121.10 1usy h PHE 190 Ca -0.04 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.86 1usy h PHE 190 Cb 0.72 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 1usy h PHE 190 CO -0.20 0.64 -0.19 -0.07 -2.02 0.00 0.00 178.31 176.47 1usy h LEU 191 N 1.11 0.45 -0.28 0.59 3.38 -0.73 0.15 115.31 119.98 1usy h LEU 191 Ca 0.31 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 1usy h LEU 191 Cb -0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1usy h LEU 191 CO -0.08 0.66 -0.15 -0.33 0.09 0.00 0.00 178.44 178.63 1usy h GLU 192 N 0.42 0.59 0.23 1.13 5.08 -0.68 -1.25 114.58 120.10 1usy h GLU 192 Ca 0.07 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1usy h GLU 192 Cb 0.57 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1usy h GLU 192 CO 0.04 0.84 -0.11 0.87 -1.00 0.00 0.00 179.01 179.65 1usy h LYS 193 N 0.34 -0.30 -0.10 2.33 1.57 -0.98 0.71 116.57 120.13 1usy h LYS 193 Ca 0.06 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1usy h LYS 193 Cb 0.67 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.98 1usy h LYS 193 CO 0.04 -0.12 -0.53 1.25 -0.57 0.00 0.00 179.45 179.53 1usy h LEU 194 N -0.43 -1.66 -2.09 2.94 6.46 -0.75 -2.30 115.31 117.48 1usy h LEU 194 Ca -0.03 0.20 0.06 0.00 -0.12 0.00 0.00 57.88 57.99 1usy h LEU 194 Cb 0.32 0.65 -0.01 0.00 -0.73 0.00 0.00 40.66 40.89 1usy h LEU 194 CO 0.05 -0.49 0.18 -0.61 -0.62 0.00 0.00 178.44 176.96 1usy h GLN 195 N -0.60 0.00 -0.24 1.25 4.15 -1.13 -1.03 115.11 117.51 1usy h GLN 195 Ca 0.03 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.29 1usy h GLN 195 Cb 0.69 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 1usy h GLN 195 CO -0.42 0.00 -0.50 1.49 -1.93 0.00 0.00 178.83 177.48 1usy h GLU 196 N 0.00 0.66 -0.07 1.69 4.81 -0.31 -2.52 114.58 118.83 1usy h GLU 196 Ca 0.11 -0.39 -0.24 0.00 -0.13 0.00 0.00 59.36 58.70 1usy h GLU 196 Cb 0.47 0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.90 1usy h GLU 196 CO -0.00 1.01 -0.91 -0.39 -0.73 0.00 0.00 179.01 177.99 1usy h VAL 197 N 0.52 1.28 -0.65 0.32 -1.51 -0.77 -2.27 116.25 113.18 1usy h VAL 197 Ca 0.02 -2.12 0.10 0.00 -1.23 0.00 0.00 66.70 63.47 1usy h VAL 197 Cb 1.05 2.18 -0.04 0.00 -2.13 0.00 0.00 31.29 32.36 1usy h VAL 197 CO 0.10 0.66 0.43 0.40 -1.23 0.00 0.00 177.57 177.94 1usy h ILE 198 N 0.46 0.89 -0.33 7.19 5.03 -1.50 -2.53 117.51 126.72 1usy h ILE 198 Ca -0.09 -0.16 -0.14 0.00 -0.12 0.00 0.00 64.86 64.35 1usy h ILE 198 Cb 1.55 0.39 -0.01 0.00 -3.03 0.00 0.00 36.82 35.72 1usy h ILE 198 CO 0.18 0.08 -0.36 -0.33 -0.68 0.00 0.00 178.15 177.04 1usy h GLU 199 N 0.46 0.76 -0.87 2.37 5.08 -1.08 -3.01 114.58 118.28 1usy h GLU 199 Ca 0.30 -0.37 0.20 0.00 -1.00 0.00 0.00 59.36 58.48 1usy h GLU 199 Cb 0.57 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.70 1usy h GLU 199 CO -0.09 1.00 0.39 0.45 -1.00 0.00 0.00 179.01 179.76 1usy h HIS 200 N 0.63 0.66 0.00 4.33 3.86 -0.96 -2.95 115.15 120.72 1usy h HIS 200 Ca 0.06 0.04 -0.59 0.00 -1.16 0.00 0.00 60.37 58.72 1usy h HIS 200 Cb 0.91 -0.15 0.02 0.00 1.06 0.00 0.00 27.41 29.24 1usy h HIS 200 CO 0.05 0.01 3.20 -0.25 0.86 0.00 0.00 177.93 181.80 1usy n ASP 201 N -5.01 6.14 0.00 2.45 8.00 -1.14 -4.86 116.55 122.14 1usy n ASP 201 Ca 0.20 -2.55 0.00 0.00 0.71 0.00 0.00 54.79 53.15 1usy n ASP 201 Cb 0.58 -1.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.29 1usy n ASP 201 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1usy n SER 202 N 4.60 0.00 0.00 -2.24 7.64 -1.11 -5.05 113.62 117.45 1usy n SER 202 Ca 0.61 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.49 1usy n SER 202 Cb 0.24 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1usy n SER 202 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83