#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ll5 s ILE 3 N 0.00 0.05 -0.03 2.28 -4.36 -0.90 -4.75 121.20 113.49 3ll5 s ILE 3 Ca 0.00 -0.43 -0.03 0.00 -0.26 0.00 0.00 60.65 59.94 3ll5 s ILE 3 Cb 0.00 -0.48 0.01 0.00 1.25 0.00 0.00 42.46 43.24 3ll5 s ILE 3 CO 0.00 -0.23 0.09 -0.22 0.24 0.00 0.00 174.94 174.81 3ll5 s LEU 4 N -0.96 1.60 -0.11 0.37 0.20 -1.01 -1.50 118.68 117.26 3ll5 s LEU 4 Ca -0.10 0.17 0.01 0.00 0.69 0.00 0.00 54.13 54.90 3ll5 s LEU 4 Cb -0.05 0.28 -0.02 0.00 -0.43 0.00 0.00 46.19 45.97 3ll5 s LEU 4 CO 0.02 -0.04 -0.15 -0.75 -0.29 0.00 0.00 176.35 175.15 3ll5 s LYS 5 N 0.15 3.14 -0.36 1.98 2.20 0.10 -0.73 119.74 126.23 3ll5 s LYS 5 Ca -0.01 -0.71 -0.15 0.00 -0.36 0.00 0.00 55.97 54.74 3ll5 s LYS 5 Cb -0.02 -2.54 -0.00 0.00 -1.51 0.00 0.00 37.83 33.76 3ll5 s LYS 5 CO -0.00 0.31 0.33 0.42 -0.36 0.00 0.00 175.35 176.04 3ll5 s ILE 6 N 0.10 5.20 0.25 5.43 1.01 0.47 -1.10 121.20 132.55 3ll5 s ILE 6 Ca -0.06 -0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.09 3ll5 s ILE 6 Cb -0.15 -3.84 -0.09 0.00 0.01 0.00 0.00 42.46 38.39 3ll5 s ILE 6 CO 0.05 -0.15 1.25 -0.83 0.00 0.00 0.00 174.94 175.25 3ll5 s GLY 7 N 1.73 2.76 0.53 6.18 0.00 0.40 -1.16 107.32 117.77 3ll5 s GLY 7 Ca 0.09 1.08 0.27 0.00 0.00 0.00 0.00 44.72 46.16 3ll5 s GLY 7 CO 0.11 1.88 1.95 -1.33 0.00 0.00 0.00 173.10 175.71 3ll5 h GLY 8 N 4.52 0.03 2.00 0.20 0.00 -1.85 -1.57 103.07 106.40 3ll5 h GLY 8 Ca -0.46 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 3ll5 h GLY 8 CO 0.72 0.00 -0.10 1.48 0.00 0.00 0.00 176.54 178.64 3ll5 h SER 9 N 0.02 0.00 0.00 0.19 4.64 -1.90 -2.13 113.55 114.36 3ll5 h SER 9 Ca 0.32 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.33 3ll5 h SER 9 Cb 1.28 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.31 3ll5 h SER 9 CO -0.01 0.10 -2.18 0.55 -0.87 0.00 0.00 176.83 174.42 3ll5 n VAL 10 N -3.31 1.17 1.28 0.95 3.14 -0.62 -4.44 118.33 116.51 3ll5 n VAL 10 Ca -0.00 -0.73 0.13 0.00 -2.96 0.00 0.00 64.34 60.78 3ll5 n VAL 10 Cb 0.30 -0.53 0.36 0.00 -1.06 0.00 0.00 33.84 32.91 3ll5 n VAL 10 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 3ll5 n ILE 11 N -2.63 0.00 -4.15 1.55 -5.35 -1.06 -4.81 119.36 102.91 3ll5 n ILE 11 Ca -0.28 -0.23 -0.09 0.00 -0.27 0.00 0.00 62.75 61.88 3ll5 n ILE 11 Cb 1.05 0.66 -0.10 0.00 -1.74 0.00 0.00 39.64 39.51 3ll5 n ILE 11 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3ll5 s THR 12 N -2.26 0.37 -0.45 7.28 -4.23 -0.80 0.35 115.64 115.89 3ll5 s THR 12 Ca 0.29 -1.89 -0.21 0.00 -1.18 0.00 0.00 61.69 58.71 3ll5 s THR 12 Cb 0.20 -1.78 0.03 0.00 1.34 0.00 0.00 72.50 72.29 3ll5 s THR 12 CO 0.43 -0.76 0.65 -0.62 -0.54 0.00 0.00 174.62 173.78 3ll5 s ASP 13 N -3.02 6.31 0.32 3.99 -1.08 0.00 -4.64 116.67 118.55 3ll5 s ASP 13 Ca 0.15 -0.43 0.25 0.00 -0.52 0.00 0.00 52.55 52.00 3ll5 s ASP 13 Cb 0.07 -2.32 1.11 0.00 -1.46 0.00 0.00 42.92 40.32 3ll5 s ASP 13 CO -0.04 -0.81 1.76 0.11 0.52 0.00 0.00 175.17 176.71 3ll5 h LYS 14 N 8.91 0.00 -0.00 4.34 1.57 -1.87 -2.87 116.57 126.65 3ll5 h LYS 14 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3ll5 h LYS 14 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3ll5 h LYS 14 CO 0.91 0.00 -0.53 -1.13 -0.57 0.00 0.00 179.45 178.13 3ll5 n SER 15 N -2.37 0.69 -3.80 0.86 3.41 -1.26 -4.47 113.62 106.68 3ll5 n SER 15 Ca 0.01 -0.49 -0.28 0.00 -0.26 0.00 0.00 58.87 57.85 3ll5 n SER 15 Cb 0.20 0.34 -0.16 0.00 -0.26 0.00 0.00 64.21 64.33 3ll5 n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ll5 s ALA 16 N -2.91 1.27 -0.22 7.33 0.00 -1.08 -5.10 121.76 121.04 3ll5 s ALA 16 Ca 0.13 -0.84 -0.43 0.00 0.00 0.00 0.00 51.96 50.82 3ll5 s ALA 16 Cb 0.18 -1.22 -0.20 0.00 0.00 0.00 0.00 23.12 21.89 3ll5 s ALA 16 CO 0.69 -1.10 1.36 0.98 0.00 0.00 0.00 175.76 177.68 3ll5 n TYR 17 N 4.94 1.26 -3.24 0.00 9.36 -1.26 -2.11 117.16 126.12 3ll5 n TYR 17 Ca -0.10 1.04 -0.21 0.00 3.32 0.00 0.00 57.90 61.94 3ll5 n TYR 17 Cb 0.47 -2.19 0.05 0.00 -0.63 0.00 0.00 39.34 37.04 3ll5 n TYR 17 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3ll5 n ARG 18 N 2.88 -5.97 -3.62 2.98 1.74 -0.60 -4.96 116.66 109.11 3ll5 n ARG 18 Ca 0.25 0.80 -0.40 0.00 -0.77 0.00 0.00 57.85 57.73 3ll5 n ARG 18 Cb 0.03 -5.57 -0.10 0.00 -1.02 0.00 0.00 32.46 25.80 3ll5 n ARG 18 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3ll5 s THR 19 N -3.21 4.23 0.35 0.55 2.01 -0.90 -5.01 115.64 113.66 3ll5 s THR 19 Ca 0.41 -1.31 -0.05 0.00 0.31 0.00 0.00 61.69 61.05 3ll5 s THR 19 Cb -0.18 -3.54 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 3ll5 s THR 19 CO 0.51 -0.44 0.63 0.00 -0.69 0.00 0.00 174.62 174.63 3ll5 s ALA 20 N 1.44 3.54 -0.56 7.40 0.00 -1.26 -0.82 121.76 131.50 3ll5 s ALA 20 Ca 0.02 -0.53 -0.00 0.00 0.00 0.00 0.00 51.96 51.45 3ll5 s ALA 20 Cb -0.22 -2.40 0.14 0.00 0.00 0.00 0.00 23.12 20.64 3ll5 s ALA 20 CO 0.03 0.05 0.34 1.03 0.00 0.00 0.00 175.76 177.21 3ll5 s ARG 21 N -3.93 2.27 0.23 0.00 0.52 0.15 -4.76 118.95 113.43 3ll5 s ARG 21 Ca 0.45 -2.49 -0.08 0.00 -0.52 0.00 0.00 55.73 53.09 3ll5 s ARG 21 Cb -0.10 -3.55 0.20 0.00 0.52 0.00 0.00 34.95 32.02 3ll5 s ARG 21 CO 0.34 -1.13 1.86 1.15 0.02 0.00 0.00 175.30 177.53 3ll5 h THR 22 N 5.48 1.25 -0.81 0.02 2.02 -1.96 -2.43 112.91 116.48 3ll5 h THR 22 Ca -0.05 -0.60 0.05 0.00 0.77 0.00 0.00 66.41 66.58 3ll5 h THR 22 Cb 0.94 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.35 3ll5 h THR 22 CO 0.69 0.27 0.51 0.10 0.37 0.00 0.00 175.52 177.47 3ll5 h TYR 23 N 1.22 0.95 -0.42 3.16 -0.00 -1.97 -1.61 116.97 118.29 3ll5 h TYR 23 Ca 0.31 0.03 -0.12 0.00 0.00 0.00 0.00 58.73 58.95 3ll5 h TYR 23 Cb 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 36.73 36.41 3ll5 h TYR 23 CO 0.01 0.51 -0.21 0.00 -0.00 0.00 0.00 178.16 178.47 3ll5 h ALA 24 N 1.36 0.59 -0.12 0.10 0.00 -1.77 0.21 119.26 119.64 3ll5 h ALA 24 Ca 0.34 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ll5 h ALA 24 Cb 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ll5 h ALA 24 CO -0.14 0.56 0.08 0.82 0.00 0.00 0.00 179.25 180.57 3ll5 h ILE 25 N 0.71 1.04 -0.32 0.00 2.04 -1.23 0.17 117.51 119.91 3ll5 h ILE 25 Ca 0.09 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 3ll5 h ILE 25 Cb 0.77 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3ll5 h ILE 25 CO 0.06 0.03 -0.08 0.03 0.00 0.00 0.00 178.15 178.19 3ll5 h ARG 26 N 0.16 0.62 -0.32 2.37 3.08 -1.17 -0.37 114.38 118.74 3ll5 h ARG 26 Ca 0.04 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 3ll5 h ARG 26 Cb -0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3ll5 h ARG 26 CO -0.01 0.80 0.16 1.03 -1.07 0.00 0.00 179.97 180.88 3ll5 h SER 27 N 0.39 0.42 0.10 7.04 0.87 -0.38 -1.52 113.55 120.47 3ll5 h SER 27 Ca 0.08 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 3ll5 h SER 27 Cb 0.58 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 3ll5 h SER 27 CO 0.03 0.41 -0.05 0.40 -0.53 0.00 0.00 176.83 177.10 3ll5 h ILE 28 N 0.39 0.92 -0.65 2.23 2.04 -0.60 -3.14 117.51 118.70 3ll5 h ILE 28 Ca 0.11 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.92 3ll5 h ILE 28 Cb 0.10 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3ll5 h ILE 28 CO -0.02 0.01 0.43 0.58 0.00 0.00 0.00 178.15 179.16 3ll5 h VAL 29 N -0.15 1.16 -0.41 1.67 2.07 -0.89 0.66 116.25 120.35 3ll5 h VAL 29 Ca -0.01 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.26 3ll5 h VAL 29 Cb 0.12 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.06 3ll5 h VAL 29 CO 0.02 0.16 0.14 0.50 0.02 0.00 0.00 177.57 178.41 3ll5 h LYS 30 N 0.87 0.30 -0.28 1.57 3.64 -1.26 0.10 116.57 121.51 3ll5 h LYS 30 Ca 0.24 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 3ll5 h LYS 30 Cb -0.09 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3ll5 h LYS 30 CO -0.05 0.20 0.05 0.28 -2.27 0.00 0.00 179.45 177.65 3ll5 h VAL 31 N 0.31 1.23 -0.97 2.00 2.07 -1.15 -3.12 116.25 116.61 3ll5 h VAL 31 Ca 0.19 -0.79 0.08 0.00 0.82 0.00 0.00 66.70 67.00 3ll5 h VAL 31 Cb 0.18 1.21 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 3ll5 h VAL 31 CO -0.20 0.26 0.61 -0.07 0.02 0.00 0.00 177.57 178.19 3ll5 h LEU 32 N 0.29 0.96 -2.52 2.57 3.38 -0.32 -1.33 115.31 118.34 3ll5 h LEU 32 Ca 0.09 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3ll5 h LEU 32 Cb 0.34 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ll5 h LEU 32 CO 0.01 0.58 -0.02 0.77 0.09 0.00 0.00 178.44 179.87 3ll5 h SER 33 N 1.08 0.00 0.26 -0.43 4.64 -0.75 -0.37 113.55 117.97 3ll5 h SER 33 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3ll5 h SER 33 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3ll5 h SER 33 CO -0.20 0.02 -0.11 0.61 -0.87 0.00 0.00 176.83 176.28 3ll5 n GLY 34 N -1.09 -0.77 3.50 -0.77 0.00 -0.50 -4.81 105.19 100.75 3ll5 n GLY 34 Ca -0.03 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 3ll5 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ll5 s ILE 35 N -2.37 4.60 0.16 -0.61 1.01 -0.15 -4.93 121.20 118.91 3ll5 s ILE 35 Ca 0.31 0.03 0.17 0.00 0.00 0.00 0.00 60.65 61.16 3ll5 s ILE 35 Cb 0.20 -4.42 0.10 0.00 0.01 0.00 0.00 42.46 38.36 3ll5 s ILE 35 CO 0.45 -0.94 1.69 -0.33 0.00 0.00 0.00 174.94 175.81 3ll5 h GLU 36 N 9.15 0.00 -0.41 2.79 5.08 -1.87 -2.82 114.58 126.49 3ll5 h GLU 36 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3ll5 h GLU 36 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3ll5 h GLU 36 CO 1.02 0.42 0.00 -0.25 -1.00 0.00 0.00 179.01 179.21 3ll5 n ASP 37 N -3.54 4.73 -4.61 1.42 8.00 -1.26 -4.93 116.55 116.36 3ll5 n ASP 37 Ca -0.00 -2.95 -0.43 0.00 0.71 0.00 0.00 54.79 52.12 3ll5 n ASP 37 Cb 0.54 -0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 41.01 3ll5 n ASP 37 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3ll5 s LEU 38 N -2.75 3.66 -0.06 0.64 2.96 -1.07 -4.81 118.68 117.26 3ll5 s LEU 38 Ca 0.48 1.37 0.21 0.00 -0.22 0.00 0.00 54.13 55.96 3ll5 s LEU 38 Cb 0.37 -3.53 -0.31 0.00 0.50 0.00 0.00 46.19 43.22 3ll5 s LEU 38 CO 0.13 -1.51 0.40 1.33 -1.32 0.00 0.00 176.35 175.37 3ll5 n VAL 39 N 7.02 0.22 -3.77 1.68 0.24 -1.26 -4.95 118.33 117.51 3ll5 n VAL 39 Ca 0.21 -0.54 -0.13 0.00 -2.04 0.00 0.00 64.34 61.84 3ll5 n VAL 39 Cb 0.46 -0.07 -0.12 0.00 -1.47 0.00 0.00 33.84 32.65 3ll5 n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ll5 s VAL 41 N 0.39 2.62 0.17 0.00 1.01 -0.66 -2.42 120.40 121.51 3ll5 s VAL 41 Ca -0.02 -0.87 0.10 0.00 0.00 0.00 0.00 61.98 61.19 3ll5 s VAL 41 Cb -0.04 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3ll5 s VAL 41 CO -0.02 0.57 -0.18 -0.69 0.00 0.00 0.00 175.10 174.78 3ll5 s VAL 42 N -0.32 2.73 0.05 2.92 1.01 0.09 -1.37 120.40 125.50 3ll5 s VAL 42 Ca 0.02 -1.77 0.02 0.00 0.00 0.00 0.00 61.98 60.25 3ll5 s VAL 42 Cb -0.13 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3ll5 s VAL 42 CO 0.02 -0.05 -0.06 -1.38 0.00 0.00 0.00 175.10 173.63 3ll5 s HIS 43 N -1.51 0.61 0.46 5.22 -3.43 -0.16 -0.40 115.29 116.07 3ll5 s HIS 43 Ca 0.21 -0.59 -0.05 0.00 -0.80 0.00 0.00 55.06 53.83 3ll5 s HIS 43 Cb -0.09 -0.37 0.10 0.00 -1.43 0.00 0.00 32.58 30.79 3ll5 s HIS 43 CO 0.11 -0.13 0.62 0.41 -2.00 0.00 0.00 174.74 173.76 3ll5 n GLY 44 N 1.22 -0.41 0.02 -1.38 0.00 -0.30 -2.27 105.19 102.06 3ll5 n GLY 44 Ca -0.21 -1.83 -0.01 0.00 0.00 0.00 0.00 46.02 43.97 3ll5 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ll5 n GLY 45 N 0.65 -0.19 7.00 -0.02 0.00 -1.26 -4.36 105.19 107.01 3ll5 n GLY 45 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3ll5 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ll5 n GLY 46 N 2.69 2.54 0.00 -0.02 0.00 -1.26 -0.68 105.19 108.46 3ll5 n GLY 46 Ca -0.06 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 45.89 3ll5 n GLY 46 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ll5 n SER 47 N 1.19 0.00 -0.59 1.61 3.41 -1.26 -1.31 113.62 116.66 3ll5 n SER 47 Ca 0.00 0.15 0.13 0.00 -0.26 0.00 0.00 58.87 58.90 3ll5 n SER 47 Cb 0.00 -0.30 0.41 0.00 -0.26 0.00 0.00 64.21 64.06 3ll5 n SER 47 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3ll5 n PHE 48 N -1.30 0.00 0.01 7.33 3.72 0.14 -1.55 117.46 125.82 3ll5 n PHE 48 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 3ll5 n PHE 48 Cb 0.09 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 3ll5 n PHE 48 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ll5 n GLY 49 N 1.23 -0.00 0.28 1.37 0.00 -0.56 -4.75 105.19 102.76 3ll5 n GLY 49 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 3ll5 n GLY 49 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3ll5 h HIS 50 N 0.00 0.83 0.09 1.61 3.86 -1.47 -2.29 115.15 117.78 3ll5 h HIS 50 Ca 0.00 -0.14 -0.00 0.00 -1.16 0.00 0.00 60.37 59.07 3ll5 h HIS 50 Cb 0.00 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.25 3ll5 h HIS 50 CO 0.00 0.81 -0.04 0.82 0.86 0.00 0.00 177.93 180.38 3ll5 h ILE 51 N 0.70 1.15 -0.56 2.45 2.04 -1.82 -3.09 117.51 118.38 3ll5 h ILE 51 Ca 0.13 -1.06 -0.08 0.00 1.00 0.00 0.00 64.86 64.84 3ll5 h ILE 51 Cb 0.54 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 3ll5 h ILE 51 CO 0.03 0.25 0.02 0.11 0.00 0.00 0.00 178.15 178.57 3ll5 h LYS 52 N -0.62 0.95 0.00 2.37 1.79 -1.88 -1.89 116.57 117.29 3ll5 h LYS 52 Ca -0.01 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 3ll5 h LYS 52 Cb 0.51 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 3ll5 h LYS 52 CO 0.02 0.92 0.00 0.00 -1.08 0.00 0.00 179.45 179.31 3ll5 n ALA 53 N -2.48 0.76 0.00 3.86 0.00 -0.86 -0.31 120.51 121.48 3ll5 n ALA 53 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3ll5 n ALA 53 Cb 0.31 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.04 3ll5 n ALA 53 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ll5 n GLU 55 N 0.29 0.00 0.00 0.00 1.02 -0.71 -1.26 120.64 119.99 3ll5 n GLU 55 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.27 3ll5 n GLU 55 Cb 0.00 0.00 0.31 0.00 -0.02 0.00 0.00 31.44 31.73 3ll5 n GLU 55 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3ll5 n PHE 56 N 0.00 0.00 -1.80 -0.32 3.72 0.58 -4.98 117.46 114.66 3ll5 n PHE 56 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3ll5 n PHE 56 Cb 0.00 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 3ll5 n PHE 56 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ll5 n GLY 57 N 1.29 0.85 3.33 1.37 0.00 -0.70 -3.43 105.19 107.89 3ll5 n GLY 57 Ca 0.15 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 3ll5 n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ll5 s LEU 58 N -0.42 2.70 0.67 0.99 1.43 -0.39 -2.99 118.68 120.67 3ll5 s LEU 58 Ca 0.00 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 3ll5 s LEU 58 Cb 0.00 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 3ll5 s LEU 58 CO 0.00 0.10 1.05 -2.16 0.23 0.00 0.00 176.35 175.57 3ll5 s PRO 59 N 0.77 3.19 0.00 1.29 0.04 -1.26 -4.78 135.00 134.25 3ll5 s PRO 59 Ca -0.05 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.82 3ll5 s PRO 59 Cb -0.15 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3ll5 s PRO 59 CO 0.01 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.58 3ll5 n GLY 60 N -2.38 -2.38 3.74 0.56 0.00 -0.36 -5.00 105.19 99.37 3ll5 n GLY 60 Ca 0.07 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 3ll5 n GLY 60 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ll5 s PRO 61 N -1.93 2.90 0.12 1.61 0.04 -1.26 -0.91 135.00 135.56 3ll5 s PRO 61 Ca 0.00 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.79 3ll5 s PRO 61 Cb 0.00 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 3ll5 s PRO 61 CO 0.00 -1.32 1.21 0.15 0.04 0.00 0.00 177.00 177.08 3ll5 s LYS 62 N -3.18 4.45 0.23 4.56 1.02 -0.43 -4.72 119.74 121.67 3ll5 s LYS 62 Ca 0.77 1.83 -0.22 0.00 0.02 0.00 0.00 55.97 58.37 3ll5 s LYS 62 Cb -0.36 -3.30 0.05 0.00 -0.52 0.00 0.00 37.83 33.70 3ll5 s LYS 62 CO 0.40 -0.19 0.89 0.54 -0.92 0.00 0.00 175.35 176.07 3ll5 s ASN 63 N 0.66 -0.13 0.47 2.83 2.20 -1.26 -4.96 114.94 114.74 3ll5 s ASN 63 Ca 0.57 -0.62 0.12 0.00 -0.94 0.00 0.00 52.86 51.98 3ll5 s ASN 63 Cb -0.31 0.60 1.07 0.00 -2.00 0.00 0.00 41.25 40.61 3ll5 s ASN 63 CO 0.32 -1.15 2.10 -0.65 -2.94 0.00 0.00 177.10 174.78 3ll5 h PRO 64 N 2.00 0.27 0.00 3.55 0.11 -1.99 0.03 132.00 135.96 3ll5 h PRO 64 Ca -0.25 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.78 3ll5 h PRO 64 Cb 1.24 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.29 3ll5 h PRO 64 CO 0.29 0.18 -0.27 -0.09 -0.21 0.00 0.00 178.00 177.90 3ll5 h ARG 65 N 0.28 0.18 0.00 1.05 2.43 -1.97 -2.51 114.38 113.83 3ll5 h ARG 65 Ca 0.08 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 58.99 3ll5 h ARG 65 Cb -0.01 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3ll5 h ARG 65 CO -0.02 0.93 -0.35 0.66 -1.51 0.00 0.00 179.97 179.69 3ll5 h SER 66 N -0.50 0.00 -0.49 -3.80 4.64 -1.47 0.99 113.55 112.92 3ll5 h SER 66 Ca -0.03 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.16 3ll5 h SER 66 Cb 1.03 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 3ll5 h SER 66 CO 0.05 0.35 -0.16 0.28 -0.87 0.00 0.00 176.83 176.48 3ll5 h SER 67 N 0.00 1.01 -0.45 4.97 0.02 -1.05 0.35 113.55 118.40 3ll5 h SER 67 Ca -0.00 -0.36 -0.11 0.00 -0.84 0.00 0.00 61.79 60.48 3ll5 h SER 67 Cb 0.65 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3ll5 h SER 67 CO 0.05 1.15 -0.15 0.40 -1.14 0.00 0.00 176.83 177.13 3ll5 h ILE 68 N 0.87 1.27 -0.49 3.27 1.08 -1.10 -2.88 117.51 119.53 3ll5 h ILE 68 Ca 0.13 -1.29 -0.01 0.00 -0.39 0.00 0.00 64.86 63.30 3ll5 h ILE 68 Cb 0.73 1.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.62 3ll5 h ILE 68 CO 0.06 0.44 0.27 1.23 -0.69 0.00 0.00 178.15 179.46 3ll5 h GLY 69 N 0.73 0.72 0.13 5.37 0.00 -0.55 -2.67 103.07 106.80 3ll5 h GLY 69 Ca 0.11 -0.30 0.08 0.00 0.00 0.00 0.00 47.33 47.21 3ll5 h GLY 69 CO 0.05 0.29 -0.17 -1.82 0.00 0.00 0.00 176.54 174.89 3ll5 h TYR 70 N 0.68 -0.44 -0.61 5.60 5.03 -0.70 -0.11 116.97 126.43 3ll5 h TYR 70 Ca 0.18 0.04 -0.08 0.00 2.58 0.00 0.00 58.73 61.45 3ll5 h TYR 70 Cb 0.02 0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.52 3ll5 h TYR 70 CO 0.00 -0.25 0.07 0.77 -1.32 0.00 0.00 178.16 177.43 3ll5 h SER 71 N -0.12 0.97 -0.13 -2.11 0.02 -1.46 -2.09 113.55 108.62 3ll5 h SER 71 Ca 0.17 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 3ll5 h SER 71 Cb 0.39 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 3ll5 h SER 71 CO -0.42 0.98 -0.09 0.40 -1.14 0.00 0.00 176.83 176.56 3ll5 h ILE 72 N 0.94 1.33 -0.37 3.27 2.04 -1.20 -1.88 117.51 121.64 3ll5 h ILE 72 Ca 0.18 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 64.85 3ll5 h ILE 72 Cb 0.44 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 3ll5 h ILE 72 CO 0.02 0.34 0.09 0.58 0.00 0.00 0.00 178.15 179.18 3ll5 h VAL 73 N -0.06 1.22 -0.39 1.67 2.07 -0.99 -1.34 116.25 118.42 3ll5 h VAL 73 Ca 0.03 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3ll5 h VAL 73 Cb 0.57 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3ll5 h VAL 73 CO 0.02 0.26 0.26 -0.74 0.02 0.00 0.00 177.57 177.39 3ll5 h HIS 74 N 0.44 0.49 -0.05 1.57 -0.00 -1.38 -3.02 115.15 113.21 3ll5 h HIS 74 Ca 0.12 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.53 3ll5 h HIS 74 Cb 0.29 -0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 27.50 3ll5 h HIS 74 CO 0.01 0.31 -0.16 -0.09 -0.00 0.00 0.00 177.93 178.01 3ll5 h ARG 75 N 0.53 -0.24 -0.10 5.26 1.12 -1.08 0.15 114.38 120.03 3ll5 h ARG 75 Ca 0.14 0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.03 3ll5 h ARG 75 Cb -0.06 0.05 0.00 0.00 -0.01 0.00 0.00 29.97 29.95 3ll5 h ARG 75 CO -0.03 -0.16 0.00 -0.25 -3.11 0.00 0.00 179.97 176.42 3ll5 n ASP 76 N -5.30 0.00 0.00 -3.80 8.00 -0.53 -1.45 116.55 113.47 3ll5 n ASP 76 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 3ll5 n ASP 76 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 3ll5 n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ll5 n GLU 78 N 0.30 0.00 0.02 -1.24 1.02 0.53 -2.12 120.64 119.15 3ll5 n GLU 78 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 3ll5 n GLU 78 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 3ll5 n GLU 78 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3ll5 h ASN 79 N 0.00 0.05 -0.26 1.62 -0.26 -1.51 -0.41 115.58 114.82 3ll5 h ASN 79 Ca 0.00 -0.05 0.05 0.00 -0.56 0.00 0.00 56.30 55.73 3ll5 h ASN 79 Cb 0.00 -0.01 -0.04 0.00 -1.06 0.00 0.00 38.32 37.20 3ll5 h ASN 79 CO 0.00 0.09 -0.02 0.25 -1.06 0.00 0.00 177.43 176.68 3ll5 h LEU 80 N 0.01 -0.15 -1.06 1.61 5.85 -1.71 -2.82 115.31 117.04 3ll5 h LEU 80 Ca 0.02 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.89 3ll5 h LEU 80 Cb 0.05 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 3ll5 h LEU 80 CO -0.00 -0.05 0.63 -0.78 -0.34 0.00 0.00 178.44 177.90 3ll5 h ASP 81 N 0.05 0.95 0.00 1.25 3.58 -1.73 -2.86 116.42 117.66 3ll5 h ASP 81 Ca 0.12 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.60 3ll5 h ASP 81 Cb 0.17 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.05 3ll5 h ASP 81 CO -0.23 0.56 0.00 0.18 -2.88 0.00 0.00 179.24 176.87 3ll5 n LEU 82 N -4.54 2.02 0.00 2.28 4.77 -0.20 -0.60 117.00 120.72 3ll5 n LEU 82 Ca 0.17 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 3ll5 n LEU 82 Cb 0.27 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3ll5 n LEU 82 CO 0.30 0.38 0.00 0.52 -1.33 0.00 0.00 177.39 177.26 3ll5 n VAL 84 N 1.68 0.00 -0.35 4.08 0.31 -1.08 -0.91 118.33 122.06 3ll5 n VAL 84 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 3ll5 n VAL 84 Cb 0.20 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.22 3ll5 n VAL 84 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3ll5 h ILE 85 N 0.00 1.25 -0.68 2.52 1.08 -1.14 -2.85 117.51 117.69 3ll5 h ILE 85 Ca 0.00 -0.49 -0.06 0.00 -0.39 0.00 0.00 64.86 63.92 3ll5 h ILE 85 Cb 0.00 -0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 33.62 3ll5 h ILE 85 CO 0.00 0.25 0.18 0.44 -0.69 0.00 0.00 178.15 178.33 3ll5 h ASP 86 N 1.27 0.99 0.00 1.72 3.32 -1.29 -1.38 116.42 121.06 3ll5 h ASP 86 Ca 0.34 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3ll5 h ASP 86 Cb -0.11 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.18 3ll5 h ASP 86 CO -0.07 0.94 0.00 0.00 -1.72 0.00 0.00 179.24 178.40 3ll5 n ALA 87 N -2.46 1.74 0.00 3.45 0.00 -1.08 -1.18 120.51 120.98 3ll5 n ALA 87 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3ll5 n ALA 87 Cb 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3ll5 n ALA 87 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3ll5 n ILE 89 N 0.63 0.00 0.00 0.00 5.41 -0.52 -4.76 119.36 120.12 3ll5 n ILE 89 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3ll5 n ILE 89 Cb 0.15 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.08 3ll5 n ILE 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3ll5 n GLU 90 N 0.00 0.00 -3.20 0.38 1.02 -0.33 -5.01 120.64 113.51 3ll5 n GLU 90 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 3ll5 n GLU 90 Cb 0.00 -1.02 -0.07 0.00 -0.02 0.00 0.00 31.44 30.33 3ll5 n GLU 90 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ll5 n GLY 92 N 0.70 1.47 2.42 0.62 0.00 -1.26 -5.19 105.19 103.94 3ll5 n GLY 92 Ca 0.00 -0.85 -0.17 0.00 0.00 0.00 0.00 46.02 45.00 3ll5 n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ll5 n ARG 94 N 2.70 0.76 -1.90 1.61 1.74 -1.26 -5.20 116.66 115.10 3ll5 n ARG 94 Ca 0.26 -2.62 -0.31 0.00 -0.77 0.00 0.00 57.85 54.41 3ll5 n ARG 94 Cb 0.51 -1.32 0.01 0.00 -1.02 0.00 0.00 32.46 30.63 3ll5 n ARG 94 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3ll5 s PRO 95 N -0.47 3.58 -0.18 5.56 0.04 -1.26 -1.56 135.00 140.71 3ll5 s PRO 95 Ca 0.34 0.72 -0.08 0.00 0.04 0.00 0.00 61.00 62.01 3ll5 s PRO 95 Cb 0.20 -2.09 0.07 0.00 0.04 0.00 0.00 34.50 32.72 3ll5 s PRO 95 CO -0.16 -0.57 0.41 -1.50 0.04 0.00 0.00 177.00 175.22 3ll5 s ILE 96 N -3.17 -0.22 0.21 0.56 1.10 -0.90 -4.86 121.20 113.93 3ll5 s ILE 96 Ca 0.55 0.12 -0.27 0.00 -0.51 0.00 0.00 60.65 60.53 3ll5 s ILE 96 Cb -0.11 -0.62 -0.09 0.00 0.15 0.00 0.00 42.46 41.79 3ll5 s ILE 96 CO 0.54 0.05 0.86 -0.94 -2.11 0.00 0.00 174.94 173.33 3ll5 s SER 97 N 1.79 7.51 -0.37 4.50 1.04 -1.26 -0.82 113.70 126.09 3ll5 s SER 97 Ca -0.07 1.79 0.01 0.00 0.48 0.00 0.00 55.95 58.16 3ll5 s SER 97 Cb -0.10 -2.55 0.11 0.00 0.10 0.00 0.00 66.02 63.59 3ll5 s SER 97 CO -0.13 0.17 0.15 -0.69 0.98 0.00 0.00 173.24 173.73 3ll5 s VAL 98 N -1.19 1.21 0.19 5.02 1.01 0.10 -4.85 120.40 121.89 3ll5 s VAL 98 Ca 0.39 -1.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.11 3ll5 s VAL 98 Cb -0.24 -1.88 -0.08 0.00 0.00 0.00 0.00 36.38 34.18 3ll5 s VAL 98 CO 0.29 -0.76 1.14 -2.84 0.00 0.00 0.00 175.10 172.93 3ll5 s PRO 99 N 1.03 4.55 0.44 2.72 0.02 -1.26 -4.49 135.00 138.02 3ll5 s PRO 99 Ca 0.13 1.79 0.12 0.00 0.02 0.00 0.00 61.00 63.07 3ll5 s PRO 99 Cb -0.20 -3.25 1.01 0.00 0.02 0.00 0.00 34.50 32.07 3ll5 s PRO 99 CO -0.13 0.02 2.02 0.82 -0.33 0.00 0.00 177.00 179.40 3ll5 h ILE 100 N 3.68 0.96 0.00 2.83 1.08 -1.92 -1.70 117.51 122.44 3ll5 h ILE 100 Ca -0.45 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 3ll5 h ILE 100 Cb 1.21 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 35.49 3ll5 h ILE 100 CO 0.73 0.07 0.00 0.77 -0.69 0.00 0.00 178.15 179.03 3ll5 h SER 101 N 0.40 0.00 -0.20 1.72 4.64 -1.92 -2.04 113.55 116.15 3ll5 h SER 101 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3ll5 h SER 101 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3ll5 h SER 101 CO -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.91 3ll5 n ALA 102 N -1.83 2.39 -2.63 5.18 0.00 -0.64 -4.97 120.51 118.01 3ll5 n ALA 102 Ca -0.01 -0.84 -0.32 0.00 0.00 0.00 0.00 53.44 52.26 3ll5 n ALA 102 Cb 0.06 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 18.90 3ll5 n ALA 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ll5 s LEU 103 N -1.20 4.27 0.49 0.00 1.43 -0.77 -5.05 118.68 117.85 3ll5 s LEU 103 Ca 0.24 0.66 -0.23 0.00 -1.03 0.00 0.00 54.13 53.77 3ll5 s LEU 103 Cb 0.15 -3.29 -0.07 0.00 0.03 0.00 0.00 46.19 43.01 3ll5 s LEU 103 CO 0.21 0.06 1.25 -0.13 0.23 0.00 0.00 176.35 177.97 3ll5 s ARG 104 N -2.54 3.55 -0.04 1.70 0.52 -1.26 -4.86 118.95 116.03 3ll5 s ARG 104 Ca 0.40 1.98 0.02 0.00 -0.52 0.00 0.00 55.73 57.61 3ll5 s ARG 104 Cb -0.12 -2.39 0.01 0.00 0.52 0.00 0.00 34.95 32.97 3ll5 s ARG 104 CO 0.23 -0.78 -0.07 -0.47 0.02 0.00 0.00 175.30 174.22 3ll5 s TYR 105 N -1.43 0.88 -0.08 -0.53 5.04 -1.26 -0.94 117.35 119.04 3ll5 s TYR 105 Ca 0.66 -0.25 0.23 0.00 -2.44 0.00 0.00 57.07 55.27 3ll5 s TYR 105 Cb -0.34 -0.69 0.41 0.00 0.35 0.00 0.00 41.96 41.70 3ll5 s TYR 105 CO 0.41 -0.15 1.15 -0.25 -1.34 0.00 0.00 175.55 175.37 3ll5 n ASP 106 N 3.66 0.90 0.00 4.32 8.00 -1.26 -4.90 116.55 127.26 3ll5 n ASP 106 Ca -0.22 -2.01 0.00 0.00 0.71 0.00 0.00 54.79 53.27 3ll5 n ASP 106 Cb 0.53 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 3ll5 n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ll5 n GLY 107 N 0.11 2.02 3.41 0.44 0.00 -1.26 -5.04 105.19 104.87 3ll5 n GLY 107 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 3ll5 n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ll5 s ARG 108 N -0.01 1.51 0.06 1.61 0.52 -1.26 -5.15 118.95 116.24 3ll5 s ARG 108 Ca 0.00 -1.77 -0.12 0.00 -0.52 0.00 0.00 55.73 53.32 3ll5 s ARG 108 Cb 0.00 -1.01 -0.06 0.00 0.52 0.00 0.00 34.95 34.40 3ll5 s ARG 108 CO 0.00 -0.02 0.42 -0.06 0.02 0.00 0.00 175.30 175.67 3ll5 s PHE 109 N -3.13 3.63 -0.71 -0.53 0.08 -1.26 -4.35 117.98 111.72 3ll5 s PHE 109 Ca 0.30 0.89 -0.24 0.00 0.12 0.00 0.00 56.93 57.99 3ll5 s PHE 109 Cb 0.05 -2.23 0.05 0.00 -0.57 0.00 0.00 43.02 40.32 3ll5 s PHE 109 CO 0.11 0.55 1.12 0.34 -0.10 0.00 0.00 175.22 177.24 3ll5 s ASP 110 N -1.54 6.18 -0.03 1.36 -1.08 -0.12 -4.87 116.67 116.58 3ll5 s ASP 110 Ca 0.31 -0.78 0.08 0.00 -0.52 0.00 0.00 52.55 51.64 3ll5 s ASP 110 Cb -0.15 -2.48 0.27 0.00 -1.46 0.00 0.00 42.92 39.09 3ll5 s ASP 110 CO 0.17 -1.61 1.14 -1.22 0.52 0.00 0.00 175.17 174.16 3ll5 n TYR 111 N 8.45 0.50 -0.26 -5.34 4.01 -1.26 -4.44 117.16 118.82 3ll5 n TYR 111 Ca 0.00 -0.21 0.07 0.00 -0.16 0.00 0.00 57.90 57.60 3ll5 n TYR 111 Cb 0.47 -0.08 0.21 0.00 -0.31 0.00 0.00 39.34 39.63 3ll5 n TYR 111 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3ll5 h THR 112 N 1.60 0.48 -0.87 -0.72 2.02 -2.00 -1.30 112.91 112.12 3ll5 h THR 112 Ca 0.00 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 3ll5 h THR 112 Cb 0.58 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 3ll5 h THR 112 CO 0.06 0.05 0.43 -0.65 0.37 0.00 0.00 175.52 175.78 3ll5 h PRO 113 N 0.27 1.24 -0.71 6.66 0.11 -2.00 -0.88 132.00 136.68 3ll5 h PRO 113 Ca 0.45 -0.17 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 3ll5 h PRO 113 Cb 0.79 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.64 3ll5 h PRO 113 CO -0.54 0.93 0.41 1.25 -0.21 0.00 0.00 178.00 179.85 3ll5 h LEU 114 N 1.23 0.87 -0.48 2.35 6.46 -1.62 -1.51 115.31 122.61 3ll5 h LEU 114 Ca 0.30 -0.08 -0.05 0.00 -0.12 0.00 0.00 57.88 57.93 3ll5 h LEU 114 Cb 0.09 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.78 3ll5 h LEU 114 CO -0.04 0.69 0.09 0.40 -0.62 0.00 0.00 178.44 178.96 3ll5 h ILE 115 N 0.97 1.24 -0.85 4.05 1.08 -0.96 -1.31 117.51 121.74 3ll5 h ILE 115 Ca 0.25 -0.89 0.12 0.00 -0.39 0.00 0.00 64.86 63.96 3ll5 h ILE 115 Cb -0.00 0.90 -0.06 0.00 -3.07 0.00 0.00 36.82 34.59 3ll5 h ILE 115 CO -0.04 0.32 0.55 0.03 -0.69 0.00 0.00 178.15 178.31 3ll5 h ARG 116 N 0.66 0.68 -0.24 2.37 3.08 -0.95 -0.13 114.38 119.85 3ll5 h ARG 116 Ca 0.15 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 3ll5 h ARG 116 Cb 0.37 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 3ll5 h ARG 116 CO 0.01 0.45 -0.30 1.88 -1.07 0.00 0.00 179.97 180.94 3ll5 h TYR 117 N 0.70 0.76 -0.23 3.04 0.05 -0.79 -1.38 116.97 119.13 3ll5 h TYR 117 Ca 0.41 -0.24 0.00 0.00 0.05 0.00 0.00 58.73 58.95 3ll5 h TYR 117 Cb 0.62 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.19 3ll5 h TYR 117 CO -0.00 0.98 0.15 0.82 -1.05 0.00 0.00 178.16 179.05 3ll5 h ILE 118 N 0.33 1.05 -0.79 -2.88 2.04 -0.93 0.13 117.51 116.47 3ll5 h ILE 118 Ca 0.03 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3ll5 h ILE 118 Cb 0.88 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 3ll5 h ILE 118 CO 0.07 0.06 0.51 0.44 0.00 0.00 0.00 178.15 179.23 3ll5 h ASP 119 N 0.31 0.92 0.06 1.72 3.32 -0.83 0.59 116.42 122.50 3ll5 h ASP 119 Ca 0.09 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3ll5 h ASP 119 Cb -0.03 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.29 3ll5 h ASP 119 CO -0.02 0.68 -0.01 0.00 -1.72 0.00 0.00 179.24 178.17 3ll5 n ALA 120 N -2.42 2.66 -0.12 3.45 0.00 -0.54 -4.90 120.51 118.65 3ll5 n ALA 120 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3ll5 n ALA 120 Cb 0.04 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.04 3ll5 n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ll5 n GLY 121 N 1.07 0.77 3.89 0.00 0.00 0.20 -5.07 105.19 106.05 3ll5 n GLY 121 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 3ll5 n GLY 121 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ll5 s PHE 122 N -2.11 3.43 -0.44 1.61 0.40 0.41 -4.92 117.98 116.36 3ll5 s PHE 122 Ca 0.00 1.06 -0.11 0.00 -0.60 0.00 0.00 56.93 57.28 3ll5 s PHE 122 Cb 0.00 -2.86 0.09 0.00 0.51 0.00 0.00 43.02 40.76 3ll5 s PHE 122 CO 0.00 -0.91 0.31 0.08 0.70 0.00 0.00 175.22 175.40 3ll5 s VAL 123 N -3.21 4.47 0.47 -0.44 1.01 -0.60 -4.09 120.40 118.01 3ll5 s VAL 123 Ca 0.56 -1.40 -0.21 0.00 0.00 0.00 0.00 61.98 60.93 3ll5 s VAL 123 Cb -0.11 -3.76 -0.08 0.00 0.00 0.00 0.00 36.38 32.43 3ll5 s VAL 123 CO 0.51 -0.58 1.06 -2.16 0.00 0.00 0.00 175.10 173.93 3ll5 s PRO 124 N 1.47 3.83 -0.12 2.72 0.04 -1.26 -2.11 135.00 139.57 3ll5 s PRO 124 Ca 0.04 1.45 0.01 0.00 0.04 0.00 0.00 61.00 62.54 3ll5 s PRO 124 Cb -0.24 -2.21 0.02 0.00 0.04 0.00 0.00 34.50 32.11 3ll5 s PRO 124 CO 0.03 -0.42 -0.12 0.08 0.04 0.00 0.00 177.00 176.60 3ll5 s VAL 125 N -1.85 1.35 0.34 -0.36 1.01 -0.00 -1.65 120.40 119.24 3ll5 s VAL 125 Ca 0.65 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 62.14 3ll5 s VAL 125 Cb -0.19 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 3ll5 s VAL 125 CO 0.23 0.42 0.13 -0.55 0.00 0.00 0.00 175.10 175.33 3ll5 s SER 126 N 1.30 2.06 -0.03 3.32 0.15 -0.47 -0.72 113.70 119.31 3ll5 s SER 126 Ca -0.01 -1.55 -0.29 0.00 0.70 0.00 0.00 55.95 54.80 3ll5 s SER 126 Cb -0.14 0.33 0.08 0.00 -1.71 0.00 0.00 66.02 64.58 3ll5 s SER 126 CO -0.06 -0.84 0.73 -0.72 1.20 0.00 0.00 173.24 173.55 3ll5 s TYR 127 N -3.43 -0.57 0.12 3.44 1.13 -1.26 -0.99 117.35 115.78 3ll5 s TYR 127 Ca 0.32 0.86 -0.35 0.00 -1.41 0.00 0.00 57.07 56.49 3ll5 s TYR 127 Cb 0.05 0.45 -0.17 0.00 -1.10 0.00 0.00 41.96 41.19 3ll5 s TYR 127 CO 0.16 -0.60 1.08 0.41 -2.51 0.00 0.00 175.55 174.09 3ll5 n GLY 128 N 0.59 -0.20 3.59 5.49 0.00 -0.96 -4.61 105.19 109.08 3ll5 n GLY 128 Ca -0.17 0.60 -0.09 0.00 0.00 0.00 0.00 46.02 46.36 3ll5 n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ll5 s ASP 129 N -0.05 -0.30 0.53 1.61 -1.08 -0.66 -4.85 116.67 111.86 3ll5 s ASP 129 Ca 0.79 -0.45 -0.12 0.00 -0.52 0.00 0.00 52.55 52.24 3ll5 s ASP 129 Cb -0.99 0.62 -0.06 0.00 -1.46 0.00 0.00 42.92 41.03 3ll5 s ASP 129 CO 0.53 -1.11 0.94 0.68 0.52 0.00 0.00 175.17 176.72 3ll5 s VAL 130 N -3.87 4.69 0.24 1.11 -7.23 -1.26 -0.48 120.40 113.60 3ll5 s VAL 130 Ca 0.09 0.85 -0.15 0.00 -1.81 0.00 0.00 61.98 60.96 3ll5 s VAL 130 Cb -0.02 -3.80 0.01 0.00 0.56 0.00 0.00 36.38 33.13 3ll5 s VAL 130 CO -0.02 -0.85 0.52 -0.72 -0.31 0.00 0.00 175.10 173.73 3ll5 s TYR 131 N -2.79 0.16 -0.45 2.82 -0.85 -0.40 -4.02 117.35 111.80 3ll5 s TYR 131 Ca 0.55 -0.54 -0.20 0.00 -0.52 0.00 0.00 57.07 56.36 3ll5 s TYR 131 Cb -0.10 0.32 0.03 0.00 0.38 0.00 0.00 41.96 42.59 3ll5 s TYR 131 CO 0.41 -1.01 0.62 0.42 -1.52 0.00 0.00 175.55 174.47 3ll5 s ILE 132 N -3.97 4.86 0.02 -3.49 1.01 -1.26 -0.77 121.20 117.60 3ll5 s ILE 132 Ca 0.17 -0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.64 3ll5 s ILE 132 Cb -0.02 -4.21 -0.32 0.00 0.01 0.00 0.00 42.46 37.92 3ll5 s ILE 132 CO 0.06 -0.63 0.93 0.50 0.00 0.00 0.00 174.94 175.79 3ll5 h LYS 133 N 8.90 0.40 -2.68 2.79 3.64 -1.54 -3.47 116.57 124.61 3ll5 h LYS 133 Ca -0.26 -0.69 0.11 0.00 -1.27 0.00 0.00 60.65 58.54 3ll5 h LYS 133 Cb 1.10 0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 33.12 3ll5 h LYS 133 CO 0.90 1.31 0.38 0.16 -2.27 0.00 0.00 179.45 179.94 3ll5 s ASP 134 N -7.33 -0.14 0.51 4.20 3.84 -1.05 -4.92 116.67 111.78 3ll5 s ASP 134 Ca -0.09 -0.64 0.34 0.00 -0.00 0.00 0.00 52.55 52.16 3ll5 s ASP 134 Cb 0.05 0.63 1.48 0.00 -1.38 0.00 0.00 42.92 43.70 3ll5 s ASP 134 CO 0.90 -1.19 1.76 -0.08 -0.00 0.00 0.00 175.17 176.55 3ll5 h GLU 135 N 2.00 0.08 -0.08 2.11 4.57 -2.04 -2.01 114.58 119.21 3ll5 h GLU 135 Ca -0.24 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3ll5 h GLU 135 Cb 1.24 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3ll5 h GLU 135 CO 0.29 0.05 0.00 0.72 -1.18 0.00 0.00 179.01 178.89 3ll5 n HIS 136 N -4.28 0.08 -3.80 0.92 8.25 -1.26 -4.94 115.22 110.18 3ll5 n HIS 136 Ca 0.29 -0.08 -0.13 0.00 -0.26 0.00 0.00 57.72 57.54 3ll5 n HIS 136 Cb 1.28 -0.00 -0.14 0.00 1.12 0.00 0.00 29.99 32.24 3ll5 n HIS 136 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3ll5 s SER 137 N -1.08 -0.03 -0.13 0.41 0.01 -0.76 -1.31 113.70 110.80 3ll5 s SER 137 Ca 0.17 0.14 -0.07 0.00 1.31 0.00 0.00 55.95 57.50 3ll5 s SER 137 Cb 0.11 0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.39 3ll5 s SER 137 CO 0.17 -0.08 0.11 -0.31 0.41 0.00 0.00 173.24 173.54 3ll5 s TYR 138 N 0.59 3.48 0.40 2.43 2.02 -0.09 -1.39 117.35 124.80 3ll5 s TYR 138 Ca -0.05 0.42 0.08 0.00 -0.37 0.00 0.00 57.07 57.15 3ll5 s TYR 138 Cb -0.07 -1.96 -0.04 0.00 -0.40 0.00 0.00 41.96 39.49 3ll5 s TYR 138 CO -0.02 0.59 0.22 0.20 -1.57 0.00 0.00 175.55 174.98 3ll5 s GLY 139 N -0.71 2.23 -0.18 0.71 0.00 0.05 -1.22 107.32 108.20 3ll5 s GLY 139 Ca 0.13 -2.01 0.01 0.00 0.00 0.00 0.00 44.72 42.85 3ll5 s GLY 139 CO 0.03 -1.84 -0.16 -0.42 0.00 0.00 0.00 173.10 170.72 3ll5 s ILE 140 N -2.54 1.83 -0.32 0.90 1.01 -1.26 -1.28 121.20 119.54 3ll5 s ILE 140 Ca 0.42 -0.91 -0.17 0.00 0.00 0.00 0.00 60.65 59.99 3ll5 s ILE 140 Cb 0.01 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.72 3ll5 s ILE 140 CO 0.24 0.40 0.46 -0.47 0.00 0.00 0.00 174.94 175.57 3ll5 s TYR 141 N 1.36 3.21 0.67 3.97 5.04 0.37 -4.94 117.35 127.02 3ll5 s TYR 141 Ca 0.03 0.28 -0.07 0.00 -2.44 0.00 0.00 57.07 54.86 3ll5 s TYR 141 Cb -0.14 -2.78 0.04 0.00 0.35 0.00 0.00 41.96 39.42 3ll5 s TYR 141 CO -0.11 -0.42 0.99 -1.54 -1.34 0.00 0.00 175.55 173.13 3ll5 s SER 142 N 1.70 5.13 0.35 4.32 1.04 -1.26 -1.65 113.70 123.32 3ll5 s SER 142 Ca 0.17 0.61 0.07 0.00 0.48 0.00 0.00 55.95 57.29 3ll5 s SER 142 Cb -0.16 -1.39 0.76 0.00 0.10 0.00 0.00 66.02 65.33 3ll5 s SER 142 CO 0.12 -1.40 1.89 1.23 0.98 0.00 0.00 173.24 176.06 3ll5 h GLY 143 N -0.47 1.19 1.14 7.32 0.00 -1.88 -1.50 103.07 108.87 3ll5 h GLY 143 Ca -0.45 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 46.44 3ll5 h GLY 143 CO 0.61 0.14 -0.17 -0.55 0.00 0.00 0.00 176.54 176.56 3ll5 h ASP 144 N 0.75 1.01 -0.77 0.19 3.32 -1.94 -2.56 116.42 116.41 3ll5 h ASP 144 Ca 0.42 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3ll5 h ASP 144 Cb 0.57 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 3ll5 h ASP 144 CO -0.18 1.15 0.39 0.44 -1.72 0.00 0.00 179.24 179.32 3ll5 h ASP 145 N 0.87 1.01 0.00 6.45 3.32 -1.66 -1.13 116.42 125.26 3ll5 h ASP 145 Ca 0.12 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3ll5 h ASP 145 Cb 0.74 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3ll5 h ASP 145 CO 0.06 0.84 0.00 -0.38 -1.72 0.00 0.00 179.24 178.04 3ll5 n ILE 146 N -4.33 0.27 0.00 0.35 5.41 -0.66 -1.84 119.36 118.56 3ll5 n ILE 146 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 3ll5 n ILE 146 Cb 0.13 -0.54 0.00 0.00 -0.71 0.00 0.00 39.64 38.52 3ll5 n ILE 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ll5 n ALA 148 N 0.64 0.00 0.20 -1.39 0.00 -0.43 -4.62 120.51 114.91 3ll5 n ALA 148 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ll5 n ALA 148 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 3ll5 n ALA 148 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ll5 n ASP 149 N 0.00 0.43 0.00 0.00 8.00 -0.77 -1.64 116.55 122.58 3ll5 n ASP 149 Ca 0.00 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.10 3ll5 n ASP 149 Cb 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 3ll5 n ASP 149 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ll5 n ALA 151 N 0.68 0.00 -0.17 2.24 0.00 -1.26 -0.91 120.51 121.09 3ll5 n ALA 151 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3ll5 n ALA 151 Cb 0.08 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.54 3ll5 n ALA 151 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3ll5 h GLU 152 N 0.00 0.80 -0.01 0.00 4.81 -1.66 -1.22 114.58 117.29 3ll5 h GLU 152 Ca 0.00 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 3ll5 h GLU 152 Cb 0.00 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.28 3ll5 h GLU 152 CO 0.00 0.78 -0.03 1.25 -0.73 0.00 0.00 179.01 180.29 3ll5 h LEU 153 N 0.68 0.05 0.00 1.64 5.85 -1.30 -3.36 115.31 118.87 3ll5 h LEU 153 Ca 0.15 -0.56 -0.10 0.00 0.84 0.00 0.00 57.88 58.22 3ll5 h LEU 153 Cb 0.35 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3ll5 h LEU 153 CO 0.00 0.60 -1.18 -0.07 -0.34 0.00 0.00 178.44 177.45 3ll5 h LEU 154 N -0.50 0.00 -2.06 2.25 3.38 -1.80 -3.48 115.31 113.09 3ll5 h LEU 154 Ca 0.00 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 3ll5 h LEU 154 Cb 0.59 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.40 3ll5 h LEU 154 CO 0.01 0.34 -0.86 0.29 0.09 0.00 0.00 178.44 178.31 3ll5 n LYS 155 N -2.83 -3.99 -1.26 1.13 4.76 -0.46 -4.94 118.16 110.58 3ll5 n LYS 155 Ca -0.05 0.59 -0.30 0.00 -2.87 0.00 0.00 58.31 55.68 3ll5 n LYS 155 Cb 0.72 -5.00 0.13 0.00 -1.84 0.00 0.00 35.03 29.03 3ll5 n LYS 155 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3ll5 s PRO 156 N -5.92 1.45 0.22 1.97 0.04 -1.26 -4.82 135.00 126.69 3ll5 s PRO 156 Ca 0.11 0.82 0.03 0.00 0.04 0.00 0.00 61.00 62.00 3ll5 s PRO 156 Cb -0.03 -1.83 0.21 0.00 0.04 0.00 0.00 34.50 32.89 3ll5 s PRO 156 CO 0.82 -2.11 1.53 -0.44 0.04 0.00 0.00 177.00 176.85 3ll5 h ASP 157 N -1.45 0.32 -3.81 6.66 3.45 -1.89 -3.15 116.42 116.55 3ll5 h ASP 157 Ca -0.49 -0.19 -0.18 0.00 0.43 0.00 0.00 57.03 56.61 3ll5 h ASP 157 Cb 1.28 -0.09 -0.26 0.00 -0.56 0.00 0.00 39.33 39.69 3ll5 h ASP 157 CO 0.55 0.86 -0.50 -0.69 -1.57 0.00 0.00 179.24 177.90 3ll5 s VAL 158 N -3.74 0.00 -0.06 -1.35 1.01 -1.26 -0.47 120.40 114.53 3ll5 s VAL 158 Ca -0.04 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 61.95 3ll5 s VAL 158 Cb 0.12 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 36.24 3ll5 s VAL 158 CO 0.81 -0.00 -0.11 0.00 0.00 0.00 0.00 175.10 175.80 3ll5 s ALA 159 N 0.09 1.12 -0.06 5.51 0.00 -1.03 -2.12 121.76 125.27 3ll5 s ALA 159 Ca -0.00 -0.33 0.05 0.00 0.00 0.00 0.00 51.96 51.68 3ll5 s ALA 159 Cb -0.01 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 3ll5 s ALA 159 CO 0.00 0.09 -0.22 0.08 0.00 0.00 0.00 175.76 175.72 3ll5 s VAL 160 N 0.69 2.37 -0.11 0.00 1.01 -0.57 -0.40 120.40 123.40 3ll5 s VAL 160 Ca -0.14 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 60.92 3ll5 s VAL 160 Cb -0.15 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.34 3ll5 s VAL 160 CO 0.03 0.57 -0.22 -0.36 0.00 0.00 0.00 175.10 175.12 3ll5 s PHE 161 N -0.26 2.62 -0.15 5.22 0.40 0.40 -0.72 117.98 125.50 3ll5 s PHE 161 Ca -0.00 -0.99 -0.04 0.00 -0.60 0.00 0.00 56.93 55.29 3ll5 s PHE 161 Cb -0.13 -1.75 -0.03 0.00 0.51 0.00 0.00 43.02 41.62 3ll5 s PHE 161 CO 0.03 -0.39 -0.00 -0.51 0.70 0.00 0.00 175.22 175.04 3ll5 s LEU 162 N 0.38 3.47 0.00 -0.37 1.43 -0.26 -1.22 118.68 122.11 3ll5 s LEU 162 Ca -0.16 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 3ll5 s LEU 162 Cb -0.17 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 3ll5 s LEU 162 CO 0.08 0.22 0.11 1.07 0.23 0.00 0.00 176.35 178.06 3ll5 n THR 163 N 3.21 0.00 -0.87 5.49 5.66 -0.92 -0.45 114.28 126.40 3ll5 n THR 163 Ca -0.17 -1.11 0.07 0.00 -3.05 0.00 0.00 64.05 59.79 3ll5 n THR 163 Cb 0.53 0.52 0.39 0.00 -1.55 0.00 0.00 70.33 70.22 3ll5 n THR 163 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3ll5 n ASP 164 N -2.25 5.52 -4.28 1.09 5.75 -1.26 -0.35 116.55 120.77 3ll5 n ASP 164 Ca 0.02 -2.86 -0.24 0.00 -0.01 0.00 0.00 54.79 51.70 3ll5 n ASP 164 Cb 0.28 -0.66 -0.09 0.00 -1.03 0.00 0.00 41.12 39.61 3ll5 n ASP 164 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3ll5 s VAL 165 N -2.63 0.84 -0.26 2.12 -7.23 -1.26 -4.92 120.40 107.07 3ll5 s VAL 165 Ca 0.54 -2.00 0.18 0.00 -1.81 0.00 0.00 61.98 58.89 3ll5 s VAL 165 Cb 0.40 -2.52 0.15 0.00 0.56 0.00 0.00 36.38 34.98 3ll5 s VAL 165 CO 0.17 0.00 1.48 0.44 -0.31 0.00 0.00 175.10 176.88 3ll5 h ASP 166 N 1.91 0.00 0.00 4.85 3.32 -1.91 -3.06 116.42 121.54 3ll5 h ASP 166 Ca -0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 3ll5 h ASP 166 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3ll5 h ASP 166 CO 0.63 0.32 0.00 0.61 -1.72 0.00 0.00 179.24 179.08 3ll5 n GLY 167 N 1.18 -1.01 3.68 2.75 0.00 -1.26 -3.81 105.19 106.72 3ll5 n GLY 167 Ca 0.02 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 3ll5 n GLY 167 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ll5 s ILE 168 N -3.00 4.33 0.32 -0.61 -1.09 -1.26 -4.97 121.20 114.93 3ll5 s ILE 168 Ca 0.00 1.64 0.08 0.00 -2.23 0.00 0.00 60.65 60.14 3ll5 s ILE 168 Cb 0.00 -4.06 -0.03 0.00 -1.58 0.00 0.00 42.46 36.79 3ll5 s ILE 168 CO 0.00 -0.03 0.26 -0.31 -1.23 0.00 0.00 174.94 173.63 3ll5 s TYR 169 N 2.43 2.90 0.38 3.97 2.02 -1.26 -0.61 117.35 127.18 3ll5 s TYR 169 Ca 0.54 -0.29 0.12 0.00 -0.37 0.00 0.00 57.07 57.07 3ll5 s TYR 169 Cb -0.23 -1.72 0.90 0.00 -0.40 0.00 0.00 41.96 40.52 3ll5 s TYR 169 CO 0.20 0.25 1.88 0.66 -1.57 0.00 0.00 175.55 176.96 3ll5 h SER 170 N 1.33 0.56 -5.19 2.29 4.64 -0.93 -3.45 113.55 112.80 3ll5 h SER 170 Ca -0.45 0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 60.84 3ll5 h SER 170 Cb 1.25 -0.07 -0.12 0.00 -0.31 0.00 0.00 62.40 63.15 3ll5 h SER 170 CO 0.59 0.28 -0.20 -0.54 -0.87 0.00 0.00 176.83 176.09 3ll5 s LYS 171 N -5.59 1.22 -0.22 4.77 1.02 -1.26 -4.98 119.74 114.70 3ll5 s LYS 171 Ca -0.09 -1.05 -0.34 0.00 0.02 0.00 0.00 55.97 54.51 3ll5 s LYS 171 Cb 0.22 0.43 -0.11 0.00 -0.52 0.00 0.00 37.83 37.85 3ll5 s LYS 171 CO 0.78 -0.47 2.04 -3.47 -0.92 0.00 0.00 175.35 173.32 3ll5 n ASP 172 N -0.25 2.90 0.14 2.83 -0.08 -1.26 -4.75 116.55 116.08 3ll5 n ASP 172 Ca -0.09 0.64 0.11 0.00 -1.51 0.00 0.00 54.79 53.95 3ll5 n ASP 172 Cb 0.63 -1.35 0.53 0.00 2.34 0.00 0.00 41.12 43.27 3ll5 n ASP 172 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3ll5 n PRO 173 N 7.50 0.17 0.05 -0.67 -0.04 -1.26 -1.92 135.00 138.82 3ll5 n PRO 173 Ca 0.31 0.52 -0.17 0.00 -0.04 0.00 0.00 63.50 64.12 3ll5 n PRO 173 Cb 0.29 -1.91 -0.14 0.00 -0.04 0.00 0.00 33.50 31.70 3ll5 n PRO 173 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3ll5 h LYS 174 N 0.00 0.23 0.00 0.54 1.57 -2.00 -3.39 116.57 113.52 3ll5 h LYS 174 Ca 0.00 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3ll5 h LYS 174 Cb 0.20 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3ll5 h LYS 174 CO 0.00 1.06 -0.01 0.00 -0.57 0.00 0.00 179.45 179.94 3ll5 h ARG 175 N 0.06 0.00 -4.26 3.15 3.08 -1.90 -3.44 114.38 111.07 3ll5 h ARG 175 Ca -0.28 0.00 -0.74 0.00 0.07 0.00 0.00 59.98 59.03 3ll5 h ARG 175 Cb 2.02 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 31.84 3ll5 h ARG 175 CO 0.14 0.00 -0.29 0.54 -1.07 0.00 0.00 179.97 179.29 3ll5 s ASN 176 N -4.97 6.16 0.00 7.04 6.03 -0.81 -4.92 114.94 123.47 3ll5 s ASN 176 Ca -0.00 -1.45 0.07 0.00 -1.03 0.00 0.00 52.86 50.45 3ll5 s ASN 176 Cb 0.00 -2.19 0.43 0.00 -3.03 0.00 0.00 41.25 36.46 3ll5 s ASN 176 CO 0.00 -0.71 0.87 -2.65 -2.03 0.00 0.00 177.10 172.58 3ll5 n PRO 177 N 5.24 0.46 0.02 3.55 -0.02 -1.26 -2.17 135.00 140.81 3ll5 n PRO 177 Ca -0.13 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.28 3ll5 n PRO 177 Cb 0.43 -1.25 -0.13 0.00 -0.02 0.00 0.00 33.50 32.53 3ll5 n PRO 177 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 3ll5 h ASP 178 N 0.00 0.00 -1.39 2.55 2.03 -1.91 -3.50 116.42 114.20 3ll5 h ASP 178 Ca 0.00 0.00 -0.65 0.00 -0.73 0.00 0.00 57.03 55.65 3ll5 h ASP 178 Cb 0.00 0.00 0.13 0.00 -0.83 0.00 0.00 39.33 38.63 3ll5 h ASP 178 CO 0.00 0.97 -0.65 0.00 -1.03 0.00 0.00 179.24 178.53 3ll5 n ALA 179 N -2.46 -2.74 -2.74 4.15 0.00 -0.92 -4.98 120.51 110.82 3ll5 n ALA 179 Ca -0.10 0.30 -0.36 0.00 0.00 0.00 0.00 53.44 53.29 3ll5 n ALA 179 Cb 0.99 -1.59 -0.06 0.00 0.00 0.00 0.00 19.45 18.80 3ll5 n ALA 179 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ll5 s VAL 180 N -1.28 5.30 -0.22 0.00 1.01 -1.26 -4.86 120.40 119.08 3ll5 s VAL 180 Ca 0.62 0.31 -0.29 0.00 0.00 0.00 0.00 61.98 62.62 3ll5 s VAL 180 Cb -0.79 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.04 3ll5 s VAL 180 CO 0.59 0.46 1.02 -0.22 0.00 0.00 0.00 175.10 176.95 3ll5 s LEU 181 N -1.47 4.11 -0.94 3.92 2.96 -1.26 -0.22 118.68 125.78 3ll5 s LEU 181 Ca 0.24 1.37 -0.24 0.00 -0.22 0.00 0.00 54.13 55.28 3ll5 s LEU 181 Cb -0.14 -3.52 0.04 0.00 0.50 0.00 0.00 46.19 43.08 3ll5 s LEU 181 CO 0.13 -0.64 1.41 -0.76 -1.32 0.00 0.00 176.35 175.17 3ll5 s LEU 182 N 3.08 3.40 0.08 -0.68 1.43 0.22 -4.83 118.68 121.37 3ll5 s LEU 182 Ca 0.44 -1.17 0.18 0.00 -1.03 0.00 0.00 54.13 52.55 3ll5 s LEU 182 Cb -0.15 -2.57 0.75 0.00 0.03 0.00 0.00 46.19 44.25 3ll5 s LEU 182 CO 0.07 -1.62 1.56 0.54 0.23 0.00 0.00 176.35 177.13 3ll5 n ARG 183 N 9.02 0.06 -3.65 1.70 1.74 -1.26 -4.36 116.66 119.91 3ll5 n ARG 183 Ca 0.25 0.29 -0.05 0.00 -0.77 0.00 0.00 57.85 57.57 3ll5 n ARG 183 Cb 0.50 -1.61 -0.06 0.00 -1.02 0.00 0.00 32.46 30.27 3ll5 n ARG 183 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3ll5 s ASP 184 N -3.38 -0.96 -0.12 0.55 -1.08 -1.26 -2.27 116.67 108.15 3ll5 s ASP 184 Ca 0.07 1.47 0.01 0.00 -0.52 0.00 0.00 52.55 53.58 3ll5 s ASP 184 Cb 0.10 1.74 0.02 0.00 -1.46 0.00 0.00 42.92 43.31 3ll5 s ASP 184 CO 0.32 -0.23 -0.14 -0.63 0.52 0.00 0.00 175.17 175.01 3ll5 s ILE 185 N 2.22 1.47 -0.11 4.11 1.01 -0.10 -4.96 121.20 124.83 3ll5 s ILE 185 Ca -0.08 -0.60 -0.12 0.00 0.00 0.00 0.00 60.65 59.85 3ll5 s ILE 185 Cb -0.09 -1.36 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 3ll5 s ILE 185 CO -0.19 0.44 0.26 -0.62 0.00 0.00 0.00 174.94 174.83 3ll5 s ASP 186 N 1.18 6.49 -1.41 3.58 -1.08 -1.26 -0.48 116.67 123.69 3ll5 s ASP 186 Ca -0.03 0.58 -0.09 0.00 -0.52 0.00 0.00 52.55 52.49 3ll5 s ASP 186 Cb -0.14 -2.15 -0.11 0.00 -1.46 0.00 0.00 42.92 39.05 3ll5 s ASP 186 CO -0.05 0.26 3.05 0.41 0.52 0.00 0.00 175.17 179.36 3ll5 n THR 187 N 2.65 4.16 -1.24 1.71 -1.04 -0.91 -4.94 114.28 114.69 3ll5 n THR 187 Ca -0.15 -2.46 0.00 0.00 -2.04 0.00 0.00 64.05 59.40 3ll5 n THR 187 Cb 0.53 -2.53 0.00 0.00 -1.82 0.00 0.00 70.33 66.51 3ll5 n THR 187 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3ll5 n ASN 188 N 3.41 0.00 0.00 8.00 4.13 -1.26 -5.13 115.26 124.41 3ll5 n ASN 188 Ca 0.74 -1.00 0.00 0.00 1.68 0.00 0.00 54.58 56.00 3ll5 n ASN 188 Cb 0.32 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.56 3ll5 n ASN 188 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ll5 n ILE 202 N 0.00 0.00 -0.02 2.41 0.13 -1.26 -5.24 119.36 115.38 3ll5 n ILE 202 Ca 0.00 0.00 -0.11 0.00 -1.10 0.00 0.00 62.75 61.54 3ll5 n ILE 202 Cb 0.49 0.00 -0.05 0.00 -0.84 0.00 0.00 39.64 39.24 3ll5 n ILE 202 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 3ll5 h GLY 203 N 0.00 0.19 1.31 4.50 0.00 -2.03 -1.53 103.07 105.50 3ll5 h GLY 203 Ca 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 47.33 47.11 3ll5 h GLY 203 CO 0.00 0.08 -0.31 0.50 0.00 0.00 0.00 176.54 176.81 3ll5 h LYS 204 N 0.11 0.77 -0.33 4.80 1.57 -2.05 -2.19 116.57 119.24 3ll5 h LYS 204 Ca 0.04 -0.36 0.01 0.00 -1.87 0.00 0.00 60.65 58.48 3ll5 h LYS 204 Cb 0.07 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3ll5 h LYS 204 CO -0.01 0.98 0.21 -0.22 -0.57 0.00 0.00 179.45 179.84 3ll5 h LYS 205 N 0.65 0.41 -0.60 3.15 3.64 -1.98 -0.14 116.57 121.70 3ll5 h LYS 205 Ca 0.07 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 3ll5 h LYS 205 Cb 0.85 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 3ll5 h LYS 205 CO 0.07 0.27 0.35 0.35 -2.27 0.00 0.00 179.45 178.23 3ll5 h PHE 206 N 0.42 0.66 -0.68 1.91 3.57 -1.06 -0.74 116.94 121.03 3ll5 h PHE 206 Ca 0.13 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 3ll5 h PHE 206 Cb -0.02 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.48 3ll5 h PHE 206 CO -0.07 0.36 0.28 1.49 -2.23 0.00 0.00 178.31 178.14 3ll5 h GLU 207 N 0.69 0.99 -1.60 1.11 4.57 -1.15 -1.34 114.58 117.85 3ll5 h GLU 207 Ca 0.25 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3ll5 h GLU 207 Cb 0.07 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 3ll5 h GLU 207 CO -0.12 0.80 0.00 0.43 -1.18 0.00 0.00 179.01 178.94 3ll5 n SER 208 N -4.31 1.67 0.00 1.04 7.64 -0.09 -2.04 113.62 117.54 3ll5 n SER 208 Ca 0.06 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.84 3ll5 n SER 208 Cb 0.17 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 3ll5 n SER 208 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3ll5 n VAL 210 N 0.93 0.00 0.00 0.44 0.31 -0.50 -4.65 118.33 114.85 3ll5 n VAL 210 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3ll5 n VAL 210 Cb 0.24 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.17 3ll5 n VAL 210 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3ll5 n LYS 211 N 0.00 0.00 0.00 5.55 5.02 -0.86 -4.19 118.16 123.68 3ll5 n LYS 211 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3ll5 n LYS 211 Cb 0.00 -0.97 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 3ll5 n LYS 211 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3ll5 n LYS 213 N 0.62 0.00 0.03 1.97 3.00 -1.26 -4.53 118.16 117.99 3ll5 n LYS 213 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.41 3ll5 n LYS 213 Cb 0.00 -1.73 0.42 0.00 0.00 0.00 0.00 35.03 33.72 3ll5 n LYS 213 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3ll5 n SER 214 N 0.00 0.18 -0.05 3.14 3.41 -1.26 -1.93 113.62 117.12 3ll5 n SER 214 Ca 0.00 0.54 0.07 0.00 -0.26 0.00 0.00 58.87 59.22 3ll5 n SER 214 Cb 0.00 -0.58 -0.08 0.00 -0.26 0.00 0.00 64.21 63.29 3ll5 n SER 214 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3ll5 n SER 215 N -1.69 0.85 -4.09 4.04 7.64 -1.26 -4.91 113.62 114.21 3ll5 n SER 215 Ca 0.04 -0.93 -0.34 0.00 1.01 0.00 0.00 58.87 58.65 3ll5 n SER 215 Cb 0.24 0.93 -0.13 0.00 -1.01 0.00 0.00 64.21 64.24 3ll5 n SER 215 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3ll5 s VAL 216 N -2.41 2.92 0.24 0.44 1.01 -0.81 -4.04 120.40 117.75 3ll5 s VAL 216 Ca 0.07 -2.12 -0.05 0.00 0.00 0.00 0.00 61.98 59.87 3ll5 s VAL 216 Cb 0.12 -3.03 0.19 0.00 0.00 0.00 0.00 36.38 33.66 3ll5 s VAL 216 CO 0.61 -0.63 1.78 0.50 0.00 0.00 0.00 175.10 177.37 3ll5 h LYS 217 N 7.90 0.63 -0.25 2.72 3.64 -1.63 -3.04 116.57 126.54 3ll5 h LYS 217 Ca -0.10 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 3ll5 h LYS 217 Cb 1.04 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 3ll5 h LYS 217 CO 0.63 0.42 -0.00 0.09 -2.27 0.00 0.00 179.45 178.32 3ll5 n ASN 218 N -4.83 3.66 0.00 4.20 5.03 0.38 -5.06 115.26 118.64 3ll5 n ASN 218 Ca 0.12 -3.08 0.00 0.00 0.87 0.00 0.00 54.58 52.49 3ll5 n ASN 218 Cb 0.29 -0.54 0.00 0.00 -1.02 0.00 0.00 39.78 38.51 3ll5 n ASN 218 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ll5 n GLY 219 N -0.64 2.91 3.39 7.41 0.00 -1.15 -4.85 105.19 112.26 3ll5 n GLY 219 Ca 0.22 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.14 3ll5 n GLY 219 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ll5 s VAL 220 N -2.09 3.35 -0.03 1.61 1.01 -1.08 -2.47 120.40 120.70 3ll5 s VAL 220 Ca 0.00 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.50 3ll5 s VAL 220 Cb 0.00 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 3ll5 s VAL 220 CO 0.00 0.49 -0.21 -0.31 0.00 0.00 0.00 175.10 175.08 3ll5 s TYR 221 N 0.65 2.50 -0.19 5.22 1.51 0.47 -0.28 117.35 127.23 3ll5 s TYR 221 Ca -0.05 -0.31 -0.05 0.00 -1.01 0.00 0.00 57.07 55.65 3ll5 s TYR 221 Cb -0.15 -1.56 -0.03 0.00 -0.11 0.00 0.00 41.96 40.11 3ll5 s TYR 221 CO 0.02 0.07 0.01 -1.17 -1.11 0.00 0.00 175.55 173.37 3ll5 s LEU 222 N -0.68 3.38 0.05 -1.29 2.96 -0.03 -0.45 118.68 122.62 3ll5 s LEU 222 Ca 0.11 -0.12 0.04 0.00 -0.22 0.00 0.00 54.13 53.93 3ll5 s LEU 222 Cb -0.10 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 3ll5 s LEU 222 CO -0.00 0.11 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.40 3ll5 s ILE 223 N 0.72 0.82 -0.19 6.68 1.01 -0.36 -1.44 121.20 128.44 3ll5 s ILE 223 Ca 0.00 -1.09 -0.29 0.00 0.00 0.00 0.00 60.65 59.28 3ll5 s ILE 223 Cb -0.14 -0.81 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 3ll5 s ILE 223 CO 0.02 -0.23 1.47 0.21 0.00 0.00 0.00 174.94 176.40 3ll5 s ASN 224 N -1.47 6.64 0.16 3.58 3.84 -1.16 -2.17 114.94 124.36 3ll5 s ASN 224 Ca -0.05 1.67 0.20 0.00 0.21 0.00 0.00 52.86 54.90 3ll5 s ASN 224 Cb -0.09 -2.54 0.83 0.00 -0.55 0.00 0.00 41.25 38.91 3ll5 s ASN 224 CO 0.01 -1.03 1.61 0.61 -2.79 0.00 0.00 177.10 175.51 3ll5 n GLY 225 N 4.21 -1.16 0.19 1.21 0.00 0.53 -1.28 105.19 108.89 3ll5 n GLY 225 Ca 0.16 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.35 3ll5 n GLY 225 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3ll5 h ASN 226 N 0.00 0.00 -2.16 1.61 -0.26 -1.90 -3.31 115.58 109.56 3ll5 h ASN 226 Ca 0.00 0.00 -0.58 0.00 -0.56 0.00 0.00 56.30 55.16 3ll5 h ASN 226 Cb 0.32 0.00 -0.41 0.00 -1.06 0.00 0.00 38.32 37.16 3ll5 h ASN 226 CO 0.00 0.00 -0.74 1.41 -1.06 0.00 0.00 177.43 177.04 3ll5 n HIS 227 N -2.81 2.70 0.31 1.19 8.25 -0.40 -4.96 115.22 119.51 3ll5 n HIS 227 Ca 0.04 -3.99 0.20 0.00 -0.26 0.00 0.00 57.72 53.71 3ll5 n HIS 227 Cb 0.45 -0.50 1.01 0.00 1.12 0.00 0.00 29.99 32.08 3ll5 n HIS 227 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3ll5 h PRO 228 N 3.84 0.00 0.00 -0.41 0.13 -1.65 -1.84 132.00 132.06 3ll5 h PRO 228 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3ll5 h PRO 228 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3ll5 h PRO 228 CO 0.74 0.01 0.00 1.05 -0.23 0.00 0.00 178.00 179.57 3ll5 h GLU 229 N 0.00 0.00 -0.00 0.86 9.09 -1.93 -0.97 114.58 121.62 3ll5 h GLU 229 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3ll5 h GLU 229 Cb 0.19 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.29 3ll5 h GLU 229 CO 0.00 0.00 0.06 0.00 0.05 0.00 0.00 179.01 179.12 3ll5 h ARG 230 N 0.00 0.00 -0.53 1.06 3.08 -1.68 -0.44 114.38 115.87 3ll5 h ARG 230 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3ll5 h ARG 230 Cb 0.19 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3ll5 h ARG 230 CO 0.00 0.00 0.30 0.82 -1.07 0.00 0.00 179.97 180.02 3ll5 h ILE 231 N 0.00 1.16 0.00 2.04 2.04 -1.40 -0.30 117.51 121.05 3ll5 h ILE 231 Ca 0.00 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3ll5 h ILE 231 Cb 0.12 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3ll5 h ILE 231 CO -0.00 0.17 0.00 0.61 0.00 0.00 0.00 178.15 178.93 3ll5 n GLY 232 N -1.32 -1.11 0.84 5.37 0.00 -0.17 -2.63 105.19 106.16 3ll5 n GLY 232 Ca 0.05 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3ll5 n GLY 232 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ll5 n ASP 233 N -1.57 2.50 -4.70 1.61 8.00 -0.12 -4.92 116.55 117.33 3ll5 n ASP 233 Ca 0.04 -1.86 -0.43 0.00 0.71 0.00 0.00 54.79 53.25 3ll5 n ASP 233 Cb 0.21 -0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 3ll5 n ASP 233 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3ll5 n ILE 234 N 0.87 0.72 -0.80 0.53 5.41 -1.08 -2.06 119.36 122.94 3ll5 n ILE 234 Ca 0.17 -0.18 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3ll5 n ILE 234 Cb 0.45 -1.73 0.00 0.00 -0.71 0.00 0.00 39.64 37.66 3ll5 n ILE 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ll5 n GLY 235 N 2.57 0.75 3.44 7.39 0.00 -1.26 -5.02 105.19 113.06 3ll5 n GLY 235 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 3ll5 n GLY 235 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ll5 s LYS 236 N -0.20 1.60 0.56 1.61 1.02 -0.88 -5.03 119.74 118.44 3ll5 s LYS 236 Ca 0.00 -1.75 0.34 0.00 0.02 0.00 0.00 55.97 54.58 3ll5 s LYS 236 Cb 0.00 -1.56 1.58 0.00 -0.52 0.00 0.00 37.83 37.33 3ll5 s LYS 236 CO 0.00 0.25 2.07 0.93 -0.92 0.00 0.00 175.35 177.69 3ll5 h GLU 237 N 2.31 0.00 -0.03 1.68 5.08 -1.96 -2.23 114.58 119.43 3ll5 h GLU 237 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3ll5 h GLU 237 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3ll5 h GLU 237 CO 0.62 0.05 0.00 -1.13 -1.00 0.00 0.00 179.01 177.55 3ll5 n SER 238 N -3.22 1.29 -4.76 1.42 3.41 -1.26 -4.93 113.62 105.57 3ll5 n SER 238 Ca -0.01 -1.46 -0.41 0.00 -0.26 0.00 0.00 58.87 56.73 3ll5 n SER 238 Cb 0.25 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.18 3ll5 n SER 238 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3ll5 n PHE 239 N 0.02 2.92 -4.01 7.33 7.35 -0.84 -5.00 117.46 125.22 3ll5 n PHE 239 Ca 0.19 0.32 -0.31 0.00 -0.76 0.00 0.00 57.45 56.90 3ll5 n PHE 239 Cb 0.31 -2.58 -0.16 0.00 0.35 0.00 0.00 39.48 37.41 3ll5 n PHE 239 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3ll5 s ILE 240 N -0.41 1.66 -5.00 -2.13 1.01 -1.26 -5.07 121.20 110.01 3ll5 s ILE 240 Ca 0.60 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 60.32 3ll5 s ILE 240 Cb -0.49 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.30 3ll5 s ILE 240 CO 0.54 0.26 0.00 0.61 0.00 0.00 0.00 174.94 176.35 3ll5 n GLY 241 N 4.69 -0.11 3.40 6.18 0.00 -1.25 -4.68 105.19 113.42 3ll5 n GLY 241 Ca -0.16 -1.38 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 3ll5 n GLY 241 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ll5 s THR 242 N -2.95 3.38 -0.18 2.61 2.01 -0.52 -4.42 115.64 115.56 3ll5 s THR 242 Ca 0.00 -0.53 -0.06 0.00 0.31 0.00 0.00 61.69 61.40 3ll5 s THR 242 Cb 0.00 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 3ll5 s THR 242 CO 0.00 0.49 0.03 0.54 -0.69 0.00 0.00 174.62 175.00 3ll5 s VAL 243 N 0.58 4.50 -0.15 3.82 0.11 -0.96 -0.85 120.40 127.44 3ll5 s VAL 243 Ca -0.05 -0.14 -0.16 0.00 -2.93 0.00 0.00 61.98 58.70 3ll5 s VAL 243 Cb -0.15 -3.02 -0.04 0.00 -1.53 0.00 0.00 36.38 31.64 3ll5 s VAL 243 CO 0.03 0.46 0.38 -0.63 -3.33 0.00 0.00 175.10 172.02 3ll5 s ILE 244 N 0.43 5.24 0.00 7.04 1.01 0.61 -0.92 121.20 134.62 3ll5 s ILE 244 Ca 0.01 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.40 3ll5 s ILE 244 Cb -0.13 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.62 3ll5 s ILE 244 CO 0.01 0.34 0.37 -2.11 0.00 0.00 0.00 174.94 173.55