#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kji s LYS 2 N 0.00 2.23 -0.01 2.12 -0.14 -1.26 -1.31 119.74 121.37 3kji s LYS 2 Ca 0.00 -1.51 0.03 0.00 -1.36 0.00 0.00 55.97 53.13 3kji s LYS 2 Cb 0.00 -3.37 -0.03 0.00 -1.68 0.00 0.00 37.83 32.75 3kji s LYS 2 CO 0.00 -0.82 -0.06 -0.51 -0.76 0.00 0.00 175.35 173.20 3kji s LEU 3 N 1.20 3.20 -0.12 3.17 1.02 0.16 -0.77 118.68 126.54 3kji s LEU 3 Ca 0.01 -0.11 0.03 0.00 0.02 0.00 0.00 54.13 54.08 3kji s LEU 3 Cb -0.21 -1.81 0.01 0.00 0.02 0.00 0.00 46.19 44.20 3kji s LEU 3 CO -0.02 0.29 -0.21 0.00 0.02 0.00 0.00 176.35 176.43 3kji s ALA 4 N -0.98 2.09 -0.23 4.21 0.00 -0.96 -1.05 121.76 124.84 3kji s ALA 4 Ca 0.17 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.17 3kji s ALA 4 Cb -0.11 -0.91 0.04 0.00 0.00 0.00 0.00 23.12 22.14 3kji s ALA 4 CO 0.07 0.03 -0.13 0.08 0.00 0.00 0.00 175.76 175.80 3kji s VAL 5 N 0.75 2.24 0.14 0.00 1.01 -0.34 0.57 120.40 124.76 3kji s VAL 5 Ca -0.10 -1.30 0.08 0.00 0.00 0.00 0.00 61.98 60.66 3kji s VAL 5 Cb -0.16 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3kji s VAL 5 CO 0.01 0.21 -0.18 0.00 0.00 0.00 0.00 175.10 175.14 3kji s ALA 6 N 1.20 1.81 0.00 5.51 0.00 -0.06 -0.94 121.76 129.28 3kji s ALA 6 Ca -0.03 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.56 3kji s ALA 6 Cb -0.17 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.79 3kji s ALA 6 CO -0.08 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.31 3kji n GLY 7 N 0.54 0.77 3.74 0.00 0.00 -1.10 -0.96 105.19 108.19 3kji n GLY 7 Ca -0.15 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 3kji n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kji s LYS 8 N -2.00 2.73 0.13 1.61 2.36 -1.26 -2.85 119.74 120.46 3kji s LYS 8 Ca 0.00 1.82 -0.31 0.00 -2.55 0.00 0.00 55.97 54.93 3kji s LYS 8 Cb 0.00 -1.90 -0.11 0.00 -1.05 0.00 0.00 37.83 34.77 3kji s LYS 8 CO 0.00 -1.40 1.84 0.41 1.55 0.00 0.00 175.35 177.75 3kji n GLY 9 N 0.48 1.69 0.00 5.54 0.00 -1.26 -2.41 105.19 109.22 3kji n GLY 9 Ca 0.14 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.87 3kji n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kji n GLY 10 N 4.24 0.23 0.09 -0.02 0.00 -1.26 -4.93 105.19 103.53 3kji n GLY 10 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 3kji n GLY 10 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kji n VAL 11 N -1.76 0.55 -1.02 1.61 0.24 -1.01 -4.90 118.33 112.04 3kji n VAL 11 Ca 0.00 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 3kji n VAL 11 Cb 0.00 -0.69 0.00 0.00 -1.47 0.00 0.00 33.84 31.68 3kji n VAL 11 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kji n GLY 12 N 1.05 1.14 0.22 7.63 0.00 -1.26 -4.79 105.19 109.18 3kji n GLY 12 Ca 0.05 -0.46 0.10 0.00 0.00 0.00 0.00 46.02 45.71 3kji n GLY 12 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kji h LYS 13 N 0.00 0.00 -0.09 1.61 3.11 -1.90 -2.04 116.57 117.25 3kji h LYS 13 Ca 0.00 0.00 -0.21 0.00 -2.81 0.00 0.00 60.65 57.63 3kji h LYS 13 Cb 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.73 3kji h LYS 13 CO 0.00 0.22 -0.80 1.15 -2.81 0.00 0.00 179.45 177.21 3kji h THR 14 N 0.00 1.34 -0.37 1.00 2.02 -1.94 -2.21 112.91 112.75 3kji h THR 14 Ca -0.00 -2.13 -0.03 0.00 0.77 0.00 0.00 66.41 65.02 3kji h THR 14 Cb 0.85 2.12 -0.02 0.00 -1.74 0.00 0.00 68.15 69.37 3kji h THR 14 CO 0.03 0.65 0.12 0.74 0.37 0.00 0.00 175.52 177.43 3kji h THR 15 N 0.37 1.21 -0.47 3.16 2.02 -1.92 -1.54 112.91 115.75 3kji h THR 15 Ca -0.05 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 3kji h THR 15 Cb 1.41 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.74 3kji h THR 15 CO 0.15 0.23 0.26 0.58 0.37 0.00 0.00 175.52 177.11 3kji h VAL 16 N 0.45 1.17 -0.84 3.16 2.07 -1.33 -1.97 116.25 118.96 3kji h VAL 16 Ca 0.12 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.22 3kji h VAL 16 Cb 0.24 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 3kji h VAL 16 CO -0.01 0.18 0.55 0.00 0.02 0.00 0.00 177.57 178.32 3kji h ALA 17 N 1.10 1.06 -0.63 1.67 0.00 -1.23 -2.19 119.26 119.05 3kji h ALA 17 Ca 0.17 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3kji h ALA 17 Cb 0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3kji h ALA 17 CO -0.03 0.48 0.13 0.00 0.00 0.00 0.00 179.25 179.83 3kji h ALA 18 N 1.31 1.05 -0.49 0.00 0.00 -0.99 -1.37 119.26 118.77 3kji h ALA 18 Ca 0.31 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3kji h ALA 18 Cb -0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3kji h ALA 18 CO -0.07 0.62 0.08 0.78 0.00 0.00 0.00 179.25 180.66 3kji h GLY 19 N 1.04 0.88 1.05 0.00 0.00 -0.99 -0.11 103.07 104.94 3kji h GLY 19 Ca 0.20 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 3kji h GLY 19 CO 0.00 0.55 0.02 1.41 0.00 0.00 0.00 176.54 178.52 3kji h LEU 20 N 0.69 0.96 -0.68 3.11 3.38 -1.22 -1.24 115.31 120.32 3kji h LEU 20 Ca 0.15 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3kji h LEU 20 Cb 0.40 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3kji h LEU 20 CO 0.01 1.02 0.36 0.40 0.09 0.00 0.00 178.44 180.32 3kji h ILE 21 N 0.87 1.22 -0.59 1.22 2.04 -1.10 0.20 117.51 121.37 3kji h ILE 21 Ca 0.16 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3kji h ILE 21 Cb 0.52 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 3kji h ILE 21 CO 0.02 0.24 0.37 0.50 0.00 0.00 0.00 178.15 179.29 3kji h LYS 22 N 0.93 0.79 -0.34 2.37 1.63 -0.73 -1.83 116.57 119.38 3kji h LYS 22 Ca 0.24 -0.06 -0.17 0.00 -0.85 0.00 0.00 60.65 59.81 3kji h LYS 22 Cb 0.06 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 31.52 3kji h LYS 22 CO -0.04 0.54 -0.45 0.82 -3.45 0.00 0.00 179.45 176.88 3kji h ILE 23 N 0.80 1.27 0.00 2.00 2.04 -0.79 -3.20 117.51 119.63 3kji h ILE 23 Ca 0.21 -1.62 -0.06 0.00 1.00 0.00 0.00 64.86 64.39 3kji h ILE 23 Cb -0.06 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3kji h ILE 23 CO -0.04 0.54 -0.30 0.24 0.00 0.00 0.00 178.15 178.58 3kji h MET 24 N 0.71 0.00 -1.14 2.37 2.86 -0.39 -3.23 114.93 116.10 3kji h MET 24 Ca 0.04 0.00 0.32 0.00 -2.06 0.00 0.00 59.70 58.00 3kji h MET 24 Cb 1.05 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.62 3kji h MET 24 CO 0.11 0.30 0.76 0.00 1.06 0.00 0.00 176.91 179.14 3kji h ALA 25 N 1.70 2.57 0.08 6.32 0.00 -1.33 0.51 119.26 129.11 3kji h ALA 25 Ca -0.00 0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 3kji h ALA 25 Cb 0.64 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3kji h ALA 25 CO 0.04 -1.00 -1.12 0.66 0.00 0.00 0.00 179.25 177.83 3kji h SER 26 N 0.23 0.43 0.94 0.00 4.64 -1.77 -3.32 113.55 114.71 3kji h SER 26 Ca 0.63 -0.41 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3kji h SER 26 Cb 1.92 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 3kji h SER 26 CO -0.24 1.28 -0.04 0.47 -0.87 0.00 0.00 176.83 177.43 3kji n ASP 27 N -3.60 0.04 -4.22 4.97 10.43 0.12 -4.86 116.55 119.43 3kji n ASP 27 Ca -0.07 0.41 -0.15 0.00 2.57 0.00 0.00 54.79 57.55 3kji n ASP 27 Cb 0.95 -0.43 -0.10 0.00 1.84 0.00 0.00 41.12 43.37 3kji n ASP 27 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 3kji s TYR 28 N -2.98 1.20 -0.18 1.24 1.51 -0.89 -5.04 117.35 112.20 3kji s TYR 28 Ca 0.15 -0.70 0.19 0.00 -1.01 0.00 0.00 57.07 55.69 3kji s TYR 28 Cb 0.19 -0.63 0.28 0.00 -0.11 0.00 0.00 41.96 41.69 3kji s TYR 28 CO 0.54 0.05 1.55 -0.44 -1.11 0.00 0.00 175.55 176.14 3kji h ASP 29 N 3.15 0.00 -4.52 2.29 3.45 -1.89 -3.45 116.42 115.45 3kji h ASP 29 Ca -0.37 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.04 3kji h ASP 29 Cb 1.19 0.00 -0.20 0.00 -0.56 0.00 0.00 39.33 39.76 3kji h ASP 29 CO 0.58 0.32 0.14 -0.75 -1.57 0.00 0.00 179.24 177.97 3kji s LYS 30 N -3.14 0.94 -0.01 3.56 2.20 -1.26 -4.74 119.74 117.28 3kji s LYS 30 Ca 0.04 0.60 0.00 0.00 -0.36 0.00 0.00 55.97 56.25 3kji s LYS 30 Cb 0.07 0.45 0.01 0.00 -1.51 0.00 0.00 37.83 36.86 3kji s LYS 30 CO 0.71 -0.22 0.00 0.42 -0.36 0.00 0.00 175.35 175.90 3kji s ILE 31 N -0.44 0.09 -0.34 5.43 1.01 0.17 -3.51 121.20 123.61 3kji s ILE 31 Ca -0.06 0.05 -0.17 0.00 0.00 0.00 0.00 60.65 60.48 3kji s ILE 31 Cb -0.02 -0.14 -0.01 0.00 0.01 0.00 0.00 42.46 42.29 3kji s ILE 31 CO 0.06 0.08 0.44 -0.31 0.00 0.00 0.00 174.94 175.20 3kji s TYR 32 N 0.55 3.20 -0.22 3.97 2.02 -0.73 -0.68 117.35 125.47 3kji s TYR 32 Ca -0.05 0.13 -0.15 0.00 -0.37 0.00 0.00 57.07 56.63 3kji s TYR 32 Cb -0.08 -2.77 -0.04 0.00 -0.40 0.00 0.00 41.96 38.67 3kji s TYR 32 CO -0.01 -0.45 0.36 0.00 -1.57 0.00 0.00 175.55 173.87 3kji s ALA 33 N 2.20 3.57 -0.23 3.71 0.00 0.54 -1.24 121.76 130.31 3kji s ALA 33 Ca 0.15 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.50 3kji s ALA 33 Cb -0.16 -2.61 0.05 0.00 0.00 0.00 0.00 23.12 20.40 3kji s ALA 33 CO 0.12 -0.36 -0.14 0.08 0.00 0.00 0.00 175.76 175.46 3kji s VAL 34 N 1.44 2.16 -0.76 0.00 1.01 0.10 -1.56 120.40 122.78 3kji s VAL 34 Ca 0.17 -1.39 -0.23 0.00 0.00 0.00 0.00 61.98 60.53 3kji s VAL 34 Cb -0.15 -2.15 0.07 0.00 0.00 0.00 0.00 36.38 34.15 3kji s VAL 34 CO 0.08 0.17 1.12 -0.62 0.00 0.00 0.00 175.10 175.85 3kji s ASP 35 N 1.17 6.28 -0.29 3.32 3.68 -0.47 -1.26 116.67 129.10 3kji s ASP 35 Ca -0.04 -1.07 0.11 0.00 2.13 0.00 0.00 52.55 53.68 3kji s ASP 35 Cb -0.18 -2.47 0.69 0.00 -1.45 0.00 0.00 42.92 39.52 3kji s ASP 35 CO -0.08 -1.49 1.71 0.61 0.13 0.00 0.00 175.17 176.05 3kji n GLY 36 N 5.55 3.82 2.64 2.66 0.00 -0.45 -1.53 105.19 117.88 3kji n GLY 36 Ca 0.06 -1.03 -0.26 0.00 0.00 0.00 0.00 46.02 44.79 3kji n GLY 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kji s ASP 37 N -1.34 2.40 0.44 1.61 3.68 -1.25 -4.36 116.67 117.84 3kji s ASP 37 Ca 0.52 -0.62 0.23 0.00 2.13 0.00 0.00 52.55 54.81 3kji s ASP 37 Cb 0.42 -0.32 0.94 0.00 -1.45 0.00 0.00 42.92 42.52 3kji s ASP 37 CO 0.11 -0.33 1.84 -0.65 0.13 0.00 0.00 175.17 176.28 3kji h PRO 38 N 8.38 0.00 0.00 4.34 0.11 -1.88 -3.22 132.00 139.73 3kji h PRO 38 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 3kji h PRO 38 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3kji h PRO 38 CO 0.29 0.25 0.00 -0.25 -0.21 0.00 0.00 178.00 178.08 3kji n ASP 39 N -3.49 0.00 -3.79 -2.05 8.00 -1.26 -4.69 116.55 109.27 3kji n ASP 39 Ca -0.00 0.40 -0.12 0.00 0.71 0.00 0.00 54.79 55.77 3kji n ASP 39 Cb 0.42 -0.44 -0.09 0.00 -0.02 0.00 0.00 41.12 40.99 3kji n ASP 39 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3kji s SER 40 N -2.88 -0.12 -0.47 -2.24 1.04 -1.22 -5.09 113.70 102.72 3kji s SER 40 Ca 0.06 -0.06 -0.16 0.00 0.48 0.00 0.00 55.95 56.27 3kji s SER 40 Cb 0.06 0.30 0.06 0.00 0.10 0.00 0.00 66.02 66.55 3kji s SER 40 CO 0.17 -0.47 0.41 0.00 0.98 0.00 0.00 173.24 174.33 3kji h LEU 42 N 8.84 0.37 -0.27 0.00 6.46 -1.93 -2.32 115.31 126.46 3kji h LEU 42 Ca -0.28 0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.53 3kji h LEU 42 Cb 1.11 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.91 3kji h LEU 42 CO 0.87 0.27 -0.07 1.23 -0.62 0.00 0.00 178.44 180.12 3kji h GLY 43 N 0.46 0.19 1.38 3.75 0.00 -1.96 -1.16 103.07 105.73 3kji h GLY 43 Ca 0.15 0.09 -0.08 0.00 0.00 0.00 0.00 47.33 47.49 3kji h GLY 43 CO -0.07 -0.11 -0.07 1.46 0.00 0.00 0.00 176.54 177.76 3kji h GLN 44 N -0.01 0.74 0.00 4.80 4.20 -1.69 -1.25 115.11 121.90 3kji h GLN 44 Ca 0.13 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3kji h GLN 44 Cb 0.20 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3kji h GLN 44 CO -0.28 0.80 0.00 0.25 -0.67 0.00 0.00 178.83 178.93 3kji n THR 45 N -4.19 0.55 1.28 -0.54 -2.24 -0.88 -1.42 114.28 106.84 3kji n THR 45 Ca 0.02 0.14 0.13 0.00 -2.27 0.00 0.00 64.05 62.06 3kji n THR 45 Cb 0.33 -0.78 0.35 0.00 -2.10 0.00 0.00 70.33 68.13 3kji n THR 45 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kji n LEU 46 N -1.49 1.76 0.00 3.22 4.77 -0.48 -4.80 117.00 119.98 3kji n LEU 46 Ca 0.05 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 3kji n LEU 46 Cb 0.24 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3kji n LEU 46 CO 0.19 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3kji n GLY 47 N 1.28 1.75 3.78 -0.72 0.00 -0.51 -5.03 105.19 105.74 3kji n GLY 47 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 3kji n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kji s LEU 48 N 0.00 3.13 0.58 0.99 1.43 -0.66 -4.96 118.68 119.19 3kji s LEU 48 Ca 0.00 1.81 -0.01 0.00 -1.03 0.00 0.00 54.13 54.90 3kji s LEU 48 Cb 0.00 -4.52 0.04 0.00 0.03 0.00 0.00 46.19 41.73 3kji s LEU 48 CO 0.00 -1.80 0.82 -0.94 0.23 0.00 0.00 176.35 174.66 3kji s SER 49 N -3.32 5.24 0.23 2.29 1.04 -1.26 -4.19 113.70 113.72 3kji s SER 49 Ca 0.62 0.14 -0.06 0.00 0.48 0.00 0.00 55.95 57.12 3kji s SER 49 Cb -0.17 -1.01 0.38 0.00 0.10 0.00 0.00 66.02 65.32 3kji s SER 49 CO 0.52 -1.20 1.75 0.40 0.98 0.00 0.00 173.24 175.70 3kji h ILE 50 N -0.05 0.76 0.25 -1.02 2.04 -1.97 -0.62 117.51 116.89 3kji h ILE 50 Ca -0.43 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 3kji h ILE 50 Cb 1.30 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3kji h ILE 50 CO 0.55 0.09 -0.12 -0.33 0.00 0.00 0.00 178.15 178.34 3kji h GLU 51 N 0.51 -0.32 -0.65 2.37 3.07 -1.98 -1.11 114.58 116.46 3kji h GLU 51 Ca 0.37 0.02 0.10 0.00 -0.50 0.00 0.00 59.36 59.35 3kji h GLU 51 Cb 0.48 0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 28.39 3kji h GLU 51 CO -0.33 -0.03 0.28 0.93 -1.40 0.00 0.00 179.01 178.46 3kji h GLU 52 N -0.61 0.47 -0.45 2.33 5.08 -1.87 -1.57 114.58 117.95 3kji h GLU 52 Ca -0.03 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 3kji h GLU 52 Cb 0.44 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3kji h GLU 52 CO 0.06 0.31 -0.04 0.00 -1.00 0.00 0.00 179.01 178.33 3kji h ALA 53 N 1.43 0.62 0.00 3.43 0.00 -1.10 -2.94 119.26 120.69 3kji h ALA 53 Ca 0.33 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3kji h ALA 53 Cb 0.38 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3kji h ALA 53 CO -0.29 0.45 -0.20 -0.92 0.00 0.00 0.00 179.25 178.29 3kji h TYR 54 N 0.67 0.00 0.00 0.00 5.03 -0.64 -2.07 116.97 119.96 3kji h TYR 54 Ca 0.12 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.43 3kji h TYR 54 Cb 0.56 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.84 3kji h TYR 54 CO 0.04 0.20 0.00 0.00 -1.32 0.00 0.00 178.16 177.08 3kji h ALA 55 N 1.80 1.00 -1.61 1.82 0.00 -1.12 -3.38 119.26 117.77 3kji h ALA 55 Ca -0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.25 3kji h ALA 55 Cb 0.49 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.14 3kji h ALA 55 CO 0.03 0.00 1.07 0.42 0.00 0.00 0.00 179.25 180.77 3kji s ILE 56 N -3.30 4.41 0.13 0.00 1.01 -0.78 -4.98 121.20 117.69 3kji s ILE 56 Ca 0.06 -1.21 -0.35 0.00 0.00 0.00 0.00 60.65 59.14 3kji s ILE 56 Cb 0.10 -4.88 -0.15 0.00 0.01 0.00 0.00 42.46 37.53 3kji s ILE 56 CO 0.50 -1.67 1.40 0.41 0.00 0.00 0.00 174.94 175.58 3kji n THR 57 N 6.03 0.15 -2.49 2.92 -1.04 -1.26 -4.79 114.28 113.80 3kji n THR 57 Ca 0.26 -0.04 -0.34 0.00 -2.04 0.00 0.00 64.05 61.89 3kji n THR 57 Cb 0.50 -1.10 -0.03 0.00 -1.82 0.00 0.00 70.33 67.88 3kji n THR 57 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3kji s PRO 58 N 0.48 3.76 0.24 -2.82 0.02 -1.26 -4.63 135.00 130.80 3kji s PRO 58 Ca 0.80 1.42 -0.05 0.00 0.02 0.00 0.00 61.00 63.20 3kji s PRO 58 Cb -0.84 -2.13 0.43 0.00 0.02 0.00 0.00 34.50 31.99 3kji s PRO 58 CO 0.45 -0.47 1.74 -0.07 -0.33 0.00 0.00 177.00 178.31 3kji h LEU 59 N 1.60 0.29 -2.08 -5.54 4.07 -0.23 0.23 115.31 113.65 3kji h LEU 59 Ca -0.49 0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.57 3kji h LEU 59 Cb 1.23 0.08 0.00 0.00 1.08 0.00 0.00 40.66 43.04 3kji h LEU 59 CO 0.59 0.12 0.00 -0.29 -1.08 0.00 0.00 178.44 177.78 3kji h ILE 60 N 0.45 0.00 -0.02 1.22 6.09 -1.50 -2.10 117.51 121.65 3kji h ILE 60 Ca 0.40 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.86 3kji h ILE 60 Cb 0.58 0.77 0.00 0.00 0.47 0.00 0.00 36.82 38.64 3kji h ILE 60 CO -0.38 0.00 -0.05 -0.62 -3.07 0.00 0.00 178.15 174.02 3kji n GLU 61 N -2.64 1.88 -1.49 2.19 1.02 0.06 -4.71 120.64 116.95 3kji n GLU 61 Ca -0.02 -1.66 -0.40 0.00 -0.02 0.00 0.00 57.16 55.07 3kji n GLU 61 Cb 0.07 -1.41 -0.02 0.00 -0.02 0.00 0.00 31.44 30.06 3kji n GLU 61 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3kji n MET 62 N 1.03 3.77 -0.22 3.49 2.81 -0.79 -4.81 117.12 122.40 3kji n MET 62 Ca 0.12 -2.48 -0.00 0.00 -1.81 0.00 0.00 57.70 53.52 3kji n MET 62 Cb 0.52 -2.82 0.07 0.00 -0.71 0.00 0.00 33.22 30.27 3kji n MET 62 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 3kji h LYS 63 N 5.05 0.00 -0.78 0.03 3.64 -1.85 0.88 116.57 123.54 3kji h LYS 63 Ca 0.81 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 60.14 3kji h LYS 63 Cb 0.33 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 3kji h LYS 63 CO 1.74 0.00 0.29 -0.44 -2.27 0.00 0.00 179.45 178.78 3kji h ASP 64 N 0.00 1.10 -0.30 4.20 3.32 -1.99 -0.12 116.42 122.63 3kji h ASP 64 Ca 0.32 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 3kji h ASP 64 Cb 0.48 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3kji h ASP 64 CO -0.67 0.99 0.03 -0.08 -1.72 0.00 0.00 179.24 177.79 3kji h GLU 65 N 1.15 0.51 -0.46 3.56 4.57 -1.73 -0.12 114.58 122.05 3kji h GLU 65 Ca 0.26 -0.14 0.02 0.00 -1.18 0.00 0.00 59.36 58.32 3kji h GLU 65 Cb 0.24 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 3kji h GLU 65 CO -0.02 0.62 0.27 0.82 -1.18 0.00 0.00 179.01 179.52 3kji h ILE 66 N 0.32 1.04 -0.44 2.32 2.04 -0.56 0.28 117.51 122.50 3kji h ILE 66 Ca 0.09 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 3kji h ILE 66 Cb 0.37 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3kji h ILE 66 CO 0.01 0.10 0.17 -0.09 0.00 0.00 0.00 178.15 178.34 3kji h ARG 67 N 0.54 0.67 -0.31 2.37 2.43 -0.90 -0.07 114.38 119.10 3kji h ARG 67 Ca 0.19 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3kji h ARG 67 Cb 0.02 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3kji h ARG 67 CO -0.09 0.62 0.09 1.49 -1.51 0.00 0.00 179.97 180.57 3kji h GLU 68 N 0.57 0.49 -0.15 0.20 4.57 -0.58 -2.64 114.58 117.04 3kji h GLU 68 Ca 0.15 -0.11 -0.15 0.00 -1.18 0.00 0.00 59.36 58.07 3kji h GLU 68 Cb 0.20 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 3kji h GLU 68 CO -0.01 0.54 -0.53 0.87 -1.18 0.00 0.00 179.01 178.70 3kji h LYS 69 N 0.35 0.44 -0.01 1.92 1.79 -0.34 -3.10 116.57 117.61 3kji h LYS 69 Ca 0.10 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 3kji h LYS 69 Cb 0.26 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 3kji h LYS 69 CO -0.00 0.86 -0.02 0.25 -1.08 0.00 0.00 179.45 179.47 3kji n THR 70 N -3.95 0.00 0.00 -0.16 -2.24 -0.05 -4.63 114.28 103.25 3kji n THR 70 Ca -0.03 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3kji n THR 70 Cb 0.59 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 3kji n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kji n GLY 71 N 1.11 -1.32 1.52 3.38 0.00 -1.00 -0.34 105.19 108.55 3kji n GLY 71 Ca 0.21 -1.58 -0.04 0.00 0.00 0.00 0.00 46.02 44.60 3kji n GLY 71 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kji n ASP 72 N -1.60 -0.93 -1.35 1.61 3.85 -1.25 -4.78 116.55 112.09 3kji n ASP 72 Ca 0.00 -1.64 -0.12 0.00 -0.71 0.00 0.00 54.79 52.32 3kji n ASP 72 Cb 0.00 1.55 -0.01 0.00 -1.35 0.00 0.00 41.12 41.31 3kji n ASP 72 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kji n GLY 73 N -0.22 -0.08 0.00 6.12 0.00 -1.26 -2.01 105.19 107.74 3kji n GLY 73 Ca -0.04 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3kji n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kji n GLY 74 N -1.03 3.28 3.76 -0.02 0.00 -1.26 -5.06 105.19 104.86 3kji n GLY 74 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 3kji n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kji s LEU 75 N 0.00 3.99 -0.42 0.99 1.02 -0.85 -5.01 118.68 118.40 3kji s LEU 75 Ca 0.00 2.54 0.04 0.00 0.02 0.00 0.00 54.13 56.73 3kji s LEU 75 Cb 0.00 -4.19 0.17 0.00 0.02 0.00 0.00 46.19 42.19 3kji s LEU 75 CO 0.00 -1.15 0.40 -0.22 0.02 0.00 0.00 176.35 175.40 3kji s LEU 76 N -3.10 0.57 -0.52 1.79 0.20 -1.25 -3.84 118.68 112.52 3kji s LEU 76 Ca 0.65 -2.47 -0.18 0.00 0.69 0.00 0.00 54.13 52.82 3kji s LEU 76 Cb -0.35 0.17 0.07 0.00 -0.43 0.00 0.00 46.19 45.66 3kji s LEU 76 CO 0.42 -0.18 0.60 -0.63 -0.29 0.00 0.00 176.35 176.27 3kji s ILE 77 N 0.56 4.94 -2.33 6.68 1.01 0.54 -4.90 121.20 127.70 3kji s ILE 77 Ca 0.28 -0.75 0.21 0.00 0.00 0.00 0.00 60.65 60.40 3kji s ILE 77 Cb -0.03 -4.32 0.45 0.00 0.01 0.00 0.00 42.46 38.57 3kji s ILE 77 CO -0.12 -0.85 1.52 0.18 0.00 0.00 0.00 174.94 175.68 3kji n LEU 78 N 6.01 1.96 -3.03 2.97 7.99 -1.26 -4.09 117.00 127.55 3kji n LEU 78 Ca -0.09 -0.82 -0.18 0.00 -0.01 0.00 0.00 56.01 54.92 3kji n LEU 78 Cb 0.44 -0.12 -0.02 0.00 -0.11 0.00 0.00 43.42 43.61 3kji n LEU 78 CO 0.54 0.41 -0.14 0.59 -1.51 0.00 0.00 177.39 177.28 3kji n ASN 79 N 0.52 1.63 -4.77 -1.43 5.03 -1.26 -4.82 115.26 110.16 3kji n ASN 79 Ca 0.17 -3.08 -0.34 0.00 0.87 0.00 0.00 54.58 52.20 3kji n ASN 79 Cb 0.38 -0.59 0.04 0.00 -1.02 0.00 0.00 39.78 38.59 3kji n ASN 79 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 3kji s PRO 80 N -2.75 2.92 -0.09 3.52 0.04 -1.26 -5.00 135.00 132.37 3kji s PRO 80 Ca 0.39 1.46 -0.24 0.00 0.04 0.00 0.00 61.00 62.65 3kji s PRO 80 Cb 0.36 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.91 3kji s PRO 80 CO -0.07 -1.17 0.74 0.21 0.04 0.00 0.00 177.00 176.75 3kji s LYS 81 N -3.89 4.40 0.00 4.56 2.20 -1.26 -4.88 119.74 120.86 3kji s LYS 81 Ca 0.69 0.93 0.00 0.00 -0.36 0.00 0.00 55.97 57.22 3kji s LYS 81 Cb -0.22 -3.49 0.00 0.00 -1.51 0.00 0.00 37.83 32.62 3kji s LYS 81 CO 0.38 -0.05 0.07 1.33 -0.36 0.00 0.00 175.35 176.72 3kji n VAL 82 N 4.07 0.00 -0.26 4.02 0.24 -1.26 -4.92 118.33 120.22 3kji n VAL 82 Ca 0.01 -0.02 0.04 0.00 -2.04 0.00 0.00 64.34 62.33 3kji n VAL 82 Cb 0.51 1.85 0.18 0.00 -1.47 0.00 0.00 33.84 34.91 3kji n VAL 82 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3kji h ASP 83 N 0.00 0.41 0.31 -1.34 -0.00 -1.91 -0.55 116.42 113.35 3kji h ASP 83 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 57.03 57.12 3kji h ASP 83 Cb 0.54 0.03 0.00 0.00 -0.00 0.00 0.00 39.33 39.90 3kji h ASP 83 CO 0.00 0.19 0.00 0.61 -0.00 0.00 0.00 179.24 180.04 3kji n GLY 84 N -1.32 -0.83 0.31 7.15 0.00 -1.26 -3.10 105.19 106.15 3kji n GLY 84 Ca 0.14 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.13 3kji n GLY 84 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kji n ASP 85 N -1.29 1.50 -0.26 1.61 9.92 -0.23 -4.73 116.55 123.07 3kji n ASP 85 Ca 0.08 -1.25 0.07 0.00 -0.53 0.00 0.00 54.79 53.16 3kji n ASP 85 Cb 0.13 0.28 0.20 0.00 -0.64 0.00 0.00 41.12 41.09 3kji n ASP 85 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3kji h LEU 86 N 1.53 0.01 0.00 0.64 3.38 -1.46 0.02 115.31 119.43 3kji h LEU 86 Ca 0.00 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3kji h LEU 86 Cb 0.39 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3kji h LEU 86 CO 0.00 -0.06 0.00 0.47 0.09 0.00 0.00 178.44 178.94 3kji n ASP 87 N -5.17 0.00 -0.91 -0.43 8.00 -1.26 -0.41 116.55 116.36 3kji n ASP 87 Ca 0.16 -0.05 0.12 0.00 0.71 0.00 0.00 54.79 55.73 3kji n ASP 87 Cb 0.51 -0.16 0.11 0.00 -0.02 0.00 0.00 41.12 41.56 3kji n ASP 87 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3kji n LYS 88 N -1.16 2.23 -0.58 -1.24 5.02 -0.01 -4.29 118.16 118.14 3kji n LYS 88 Ca 0.06 -1.83 0.08 0.00 -2.02 0.00 0.00 58.31 54.60 3kji n LYS 88 Cb 0.05 -1.46 0.31 0.00 -0.02 0.00 0.00 35.03 33.92 3kji n LYS 88 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3kji n TYR 89 N 1.21 1.34 -3.01 2.13 4.01 0.45 -5.02 117.16 118.26 3kji n TYR 89 Ca 0.14 -0.71 0.00 0.00 -0.16 0.00 0.00 57.90 57.17 3kji n TYR 89 Cb 0.58 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 3kji n TYR 89 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kji n GLY 90 N 0.44 1.49 3.15 2.72 0.00 -1.26 -4.57 105.19 107.15 3kji n GLY 90 Ca 0.23 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 3kji n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kji s ARG 91 N -0.47 0.77 -0.12 1.61 1.81 -0.92 -4.96 118.95 116.67 3kji s ARG 91 Ca 0.00 -1.08 -0.25 0.00 -1.72 0.00 0.00 55.73 52.68 3kji s ARG 91 Cb 0.00 -0.44 -0.02 0.00 -0.45 0.00 0.00 34.95 34.03 3kji s ARG 91 CO 0.00 0.06 0.81 0.71 -0.68 0.00 0.00 175.30 176.20 3kji s TYR 92 N -2.30 3.50 0.04 -0.53 2.02 -1.26 -0.15 117.35 118.66 3kji s TYR 92 Ca 0.02 1.30 -0.19 0.00 -0.37 0.00 0.00 57.07 57.84 3kji s TYR 92 Cb -0.04 -2.96 -0.17 0.00 -0.40 0.00 0.00 41.96 38.39 3kji s TYR 92 CO -0.01 -0.11 1.24 0.82 -1.57 0.00 0.00 175.55 175.92 3kji h ILE 93 N 5.01 1.38 -0.43 2.71 2.04 -0.18 -3.48 117.51 124.56 3kji h ILE 93 Ca -0.34 -1.74 0.00 0.00 1.00 0.00 0.00 64.86 63.78 3kji h ILE 93 Cb 1.16 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 3kji h ILE 93 CO 0.80 0.52 0.00 -0.90 0.00 0.00 0.00 178.15 178.57 3kji n ASP 94 N -4.31 0.01 -0.05 1.72 5.68 -1.24 -5.01 116.55 113.35 3kji n ASP 94 Ca -0.08 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.37 3kji n ASP 94 Cb 0.54 0.00 0.81 0.00 -1.14 0.00 0.00 41.12 41.33 3kji n ASP 94 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3kji n ASP 95 N 0.00 0.18 0.00 -1.12 5.75 -1.26 -4.19 116.55 115.91 3kji n ASP 95 Ca 0.00 -0.70 0.00 0.00 -0.01 0.00 0.00 54.79 54.08 3kji n ASP 95 Cb 0.00 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 3kji n ASP 95 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kji n LYS 96 N -1.00 2.88 -3.63 0.11 5.02 -1.26 -4.92 118.16 115.36 3kji n LYS 96 Ca 0.19 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.10 3kji n LYS 96 Cb 0.19 -0.88 -0.11 0.00 -0.02 0.00 0.00 35.03 34.21 3kji n LYS 96 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kji s ILE 97 N -1.73 4.93 -0.25 -0.18 1.01 -1.26 -0.66 121.20 123.07 3kji s ILE 97 Ca 0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.48 3kji s ILE 97 Cb 0.00 -3.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 3kji s ILE 97 CO 0.00 0.18 0.06 0.12 0.00 0.00 0.00 174.94 175.30 3kji s PHE 98 N 1.69 3.07 -0.20 3.97 2.19 0.15 0.64 117.98 129.48 3kji s PHE 98 Ca 0.06 -0.52 -0.10 0.00 0.33 0.00 0.00 56.93 56.70 3kji s PHE 98 Cb -0.16 -2.22 -0.05 0.00 -1.31 0.00 0.00 43.02 39.27 3kji s PHE 98 CO 0.08 -0.40 0.15 -1.17 1.83 0.00 0.00 175.22 175.71 3kji s LEU 99 N 1.59 4.20 -0.07 6.12 2.96 0.78 -0.34 118.68 133.93 3kji s LEU 99 Ca 0.06 0.23 0.04 0.00 -0.22 0.00 0.00 54.13 54.24 3kji s LEU 99 Cb -0.15 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.43 3kji s LEU 99 CO 0.03 0.15 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.40 3kji s ILE 100 N 0.49 1.54 -0.22 6.68 1.01 -0.60 -2.16 121.20 127.92 3kji s ILE 100 Ca 0.09 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 59.95 3kji s ILE 100 Cb -0.12 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 3kji s ILE 100 CO -0.01 0.44 -0.00 -0.13 0.00 0.00 0.00 174.94 175.24 3kji s ARG 101 N 0.32 3.50 0.05 2.79 0.52 -1.26 -1.36 118.95 123.50 3kji s ARG 101 Ca -0.12 -0.56 -0.28 0.00 -0.52 0.00 0.00 55.73 54.25 3kji s ARG 101 Cb -0.15 -3.11 -0.17 0.00 0.52 0.00 0.00 34.95 32.04 3kji s ARG 101 CO 0.05 -0.15 1.47 0.52 0.02 0.00 0.00 175.30 177.21 3kji h MET 102 N 8.00 -0.58 0.00 3.54 2.86 -1.66 0.21 114.93 127.30 3kji h MET 102 Ca -0.39 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 3kji h MET 102 Cb 1.17 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.96 3kji h MET 102 CO 0.60 -0.31 0.00 0.41 1.06 0.00 0.00 176.91 178.66 3kji n GLY 103 N -0.95 1.02 3.69 8.32 0.00 -1.26 -1.44 105.19 114.57 3kji n GLY 103 Ca -0.11 -1.84 -0.44 0.00 0.00 0.00 0.00 46.02 43.63 3kji n GLY 103 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kji n GLU 104 N 1.14 2.58 -3.04 1.61 4.07 -1.26 -4.83 120.64 120.91 3kji n GLU 104 Ca 0.00 0.93 -0.43 0.00 -0.06 0.00 0.00 57.16 57.60 3kji n GLU 104 Cb 0.00 -2.78 -0.06 0.00 -0.06 0.00 0.00 31.44 28.54 3kji n GLU 104 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 3kji s ILE 105 N 1.86 4.74 0.33 6.31 1.01 -1.26 -4.90 121.20 129.28 3kji s ILE 105 Ca 0.80 0.19 -0.08 0.00 0.00 0.00 0.00 60.65 61.55 3kji s ILE 105 Cb -0.56 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 37.57 3kji s ILE 105 CO 0.37 -0.69 0.65 -0.54 0.00 0.00 0.00 174.94 174.72 3kji s LYS 106 N 3.05 3.73 0.23 2.79 1.02 -1.26 -5.05 119.74 124.25 3kji s LYS 106 Ca 0.25 0.25 0.00 0.00 0.02 0.00 0.00 55.97 56.50 3kji s LYS 106 Cb -0.14 -2.53 -0.04 0.00 -0.52 0.00 0.00 37.83 34.60 3kji s LYS 106 CO 0.20 0.12 0.14 -1.59 -0.92 0.00 0.00 175.35 173.30 3kji s LYS 107 N -3.56 1.31 0.00 1.68 0.00 -1.26 -4.95 119.74 112.96 3kji s LYS 107 Ca 0.48 -1.70 0.00 0.00 0.00 0.00 0.00 55.97 54.74 3kji s LYS 107 Cb -0.11 0.18 0.00 0.00 0.00 0.00 0.00 37.83 37.91 3kji s LYS 107 CO 0.29 -0.41 0.00 0.41 0.00 0.00 0.00 175.35 175.64 3kji n GLY 108 N -0.35 -0.17 1.24 0.59 0.00 -1.26 -5.02 105.19 100.22 3kji n GLY 108 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3kji n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kji n GLY 109 N 0.00 0.00 0.07 -0.02 0.00 -1.26 -2.93 105.19 101.06 3kji n GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kji n GLY 109 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kji n SER 110 N 0.00 0.16 -3.77 1.61 7.64 -1.26 -4.90 113.62 113.09 3kji n SER 110 Ca 0.00 -2.00 -0.12 0.00 1.01 0.00 0.00 58.87 57.76 3kji n SER 110 Cb 0.00 -0.07 -0.06 0.00 -1.01 0.00 0.00 64.21 63.07 3kji n SER 110 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3kji s GLN 111 N -1.86 1.61 -0.25 1.43 -0.21 -1.15 -5.13 119.66 114.10 3kji s GLN 111 Ca 0.00 -1.50 -0.10 0.00 0.02 0.00 0.00 55.36 53.78 3kji s GLN 111 Cb 0.00 0.42 -0.04 0.00 1.00 0.00 0.00 33.01 34.39 3kji s GLN 111 CO 0.00 -0.65 0.14 0.00 -2.12 0.00 0.00 175.29 172.67 3kji n TYR 113 N 4.61 0.11 -0.24 0.00 4.01 -1.26 -4.78 117.16 119.60 3kji n TYR 113 Ca -0.15 -0.46 0.04 0.00 -0.16 0.00 0.00 57.90 57.17 3kji n TYR 113 Cb 0.52 -0.04 0.16 0.00 -0.31 0.00 0.00 39.34 39.67 3kji n TYR 113 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kji h ARG 115 N 0.43 0.91 0.46 0.00 3.08 -1.97 -0.18 114.38 117.11 3kji h ARG 115 Ca 0.38 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3kji h ARG 115 Cb 0.56 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3kji h ARG 115 CO -0.38 0.92 -0.22 0.93 -1.07 0.00 0.00 179.97 180.15 3kji h GLU 116 N 0.78 -0.60 0.00 0.04 3.07 -1.79 -1.78 114.58 114.31 3kji h GLU 116 Ca 0.15 0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 59.02 3kji h GLU 116 Cb 0.50 0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.54 3kji h GLU 116 CO 0.02 -0.33 -0.15 -0.91 -1.40 0.00 0.00 179.01 176.24 3kji h ASN 117 N -0.75 0.00 -0.14 1.42 -0.26 -1.17 -1.58 115.58 113.11 3kji h ASN 117 Ca -0.06 0.00 -0.16 0.00 -0.56 0.00 0.00 56.30 55.52 3kji h ASN 117 Cb 0.54 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.79 3kji h ASN 117 CO 0.10 0.15 -0.49 -1.28 -1.06 0.00 0.00 177.43 174.85 3kji h SER 118 N 0.00 0.78 -0.13 5.81 0.87 -0.83 -1.18 113.55 118.86 3kji h SER 118 Ca -0.00 -0.39 -0.05 0.00 -1.23 0.00 0.00 61.79 60.12 3kji h SER 118 Cb 0.33 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 3kji h SER 118 CO 0.02 1.13 -0.10 0.15 -0.53 0.00 0.00 176.83 177.50 3kji h PHE 119 N 0.56 0.35 -0.89 2.24 3.57 -0.41 -1.81 116.94 120.56 3kji h PHE 119 Ca 0.03 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.46 3kji h PHE 119 Cb 1.05 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.66 3kji h PHE 119 CO 0.05 0.67 0.58 -0.07 -2.23 0.00 0.00 178.31 177.31 3kji h LEU 120 N -0.07 0.97 -1.06 0.59 3.38 -1.36 -2.19 115.31 115.58 3kji h LEU 120 Ca 0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3kji h LEU 120 Cb 0.60 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3kji h LEU 120 CO 0.03 0.67 0.18 1.23 0.09 0.00 0.00 178.44 180.64 3kji h GLY 121 N 1.13 0.91 1.81 0.83 0.00 -1.10 -2.11 103.07 104.55 3kji h GLY 121 Ca 0.35 -0.50 -0.16 0.00 0.00 0.00 0.00 47.33 47.02 3kji h GLY 121 CO -0.11 0.47 -0.69 1.48 0.00 0.00 0.00 176.54 177.70 3kji h SER 122 N 0.83 0.22 -0.25 0.19 4.64 -0.85 -1.93 113.55 116.40 3kji h SER 122 Ca 0.19 -0.14 -0.06 0.00 -0.47 0.00 0.00 61.79 61.30 3kji h SER 122 Cb 0.24 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 3kji h SER 122 CO -0.01 0.84 -0.09 0.58 -0.87 0.00 0.00 176.83 177.28 3kji h VAL 123 N 0.13 1.29 -0.65 0.95 2.07 -1.22 0.85 116.25 119.68 3kji h VAL 123 Ca -0.02 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 3kji h VAL 123 Cb 1.22 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 32.49 3kji h VAL 123 CO 0.10 0.36 0.28 0.58 0.02 0.00 0.00 177.57 178.90 3kji h VAL 124 N 0.23 1.22 -0.23 2.57 2.07 -1.30 0.11 116.25 120.92 3kji h VAL 124 Ca 0.06 -0.67 -0.14 0.00 0.82 0.00 0.00 66.70 66.77 3kji h VAL 124 Cb 0.58 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3kji h VAL 124 CO 0.03 0.27 -0.44 -1.28 0.02 0.00 0.00 177.57 176.17 3kji h SER 125 N 0.92 0.60 -0.27 0.57 0.87 -1.18 -1.65 113.55 113.42 3kji h SER 125 Ca 0.22 -0.28 -0.13 0.00 -1.23 0.00 0.00 61.79 60.37 3kji h SER 125 Cb 0.15 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 3kji h SER 125 CO -0.02 0.96 -0.29 0.00 -0.53 0.00 0.00 176.83 176.95 3kji h ALA 126 N 1.06 0.80 -0.29 6.23 0.00 -0.11 0.19 119.26 127.14 3kji h ALA 126 Ca 0.03 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 3kji h ALA 126 Cb 0.95 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3kji h ALA 126 CO 0.09 0.65 -0.10 -0.07 0.00 0.00 0.00 179.25 179.81 3kji h LEU 127 N 0.66 0.59 0.17 0.00 3.38 -0.61 -1.51 115.31 117.99 3kji h LEU 127 Ca 0.08 -0.39 -0.35 0.00 0.09 0.00 0.00 57.88 57.32 3kji h LEU 127 Cb 0.82 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3kji h LEU 127 CO 0.07 0.85 -1.76 -0.26 0.09 0.00 0.00 178.44 177.43 3kji h PHE 128 N 0.34 0.64 0.02 1.13 0.04 -1.27 -3.36 116.94 114.48 3kji h PHE 128 Ca 0.07 -0.47 -0.32 0.00 2.80 0.00 0.00 57.97 60.05 3kji h PHE 128 Cb 0.61 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.68 3kji h PHE 128 CO 0.06 1.69 -1.88 1.28 -0.60 0.00 0.00 178.31 178.85 3kji n LEU 129 N -3.62 1.14 -0.11 1.54 4.77 0.65 -4.71 117.00 116.66 3kji n LEU 129 Ca -0.26 0.30 -0.24 0.00 -0.03 0.00 0.00 56.01 55.78 3kji n LEU 129 Cb 1.05 -0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.97 3kji n LEU 129 CO 0.48 0.50 -1.19 0.47 -1.33 0.00 0.00 177.39 176.33 3kji n ASP 130 N -3.09 1.97 -4.77 -1.43 8.00 -0.99 -4.99 116.55 111.26 3kji n ASP 130 Ca -0.23 0.18 -0.39 0.00 0.71 0.00 0.00 54.79 55.06 3kji n ASP 130 Cb 1.06 -0.72 -0.02 0.00 -0.02 0.00 0.00 41.12 41.43 3kji n ASP 130 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3kji s LYS 131 N -2.50 4.12 0.04 -1.24 -0.14 -0.60 -4.95 119.74 114.47 3kji s LYS 131 Ca -0.34 1.92 -0.05 0.00 -1.36 0.00 0.00 55.97 56.15 3kji s LYS 131 Cb 0.11 -2.77 -0.29 0.00 -1.68 0.00 0.00 37.83 33.20 3kji s LYS 131 CO 0.58 -0.29 1.00 0.87 -0.76 0.00 0.00 175.35 176.75 3kji h LYS 132 N 2.82 0.28 -6.55 1.68 1.79 -1.92 -3.46 116.57 111.20 3kji h LYS 132 Ca -0.49 -0.48 -0.57 0.00 -2.18 0.00 0.00 60.65 56.94 3kji h LYS 132 Cb 1.23 0.18 0.19 0.00 -1.58 0.00 0.00 32.23 32.25 3kji h LYS 132 CO 0.63 1.19 -0.54 0.39 -1.08 0.00 0.00 179.45 180.04 3kji n GLU 133 N -3.51 0.27 -1.94 3.15 4.71 -1.26 -4.77 120.64 117.29 3kji n GLU 133 Ca -0.13 0.12 -0.34 0.00 -0.01 0.00 0.00 57.16 56.81 3kji n GLU 133 Cb 1.04 -1.70 0.03 0.00 -1.01 0.00 0.00 31.44 29.80 3kji n GLU 133 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kji s ALA 134 N -1.91 2.55 -0.03 0.62 0.00 -1.23 -4.75 121.76 117.01 3kji s ALA 134 Ca 0.64 0.65 -0.02 0.00 0.00 0.00 0.00 51.96 53.23 3kji s ALA 134 Cb -0.36 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.44 3kji s ALA 134 CO 0.60 -1.09 0.07 0.08 0.00 0.00 0.00 175.76 175.41 3kji s VAL 135 N -2.12 -0.02 -0.21 0.00 1.01 -0.42 -1.77 120.40 116.87 3kji s VAL 135 Ca 0.69 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.72 3kji s VAL 135 Cb -0.22 -0.12 0.06 0.00 0.00 0.00 0.00 36.38 36.11 3kji s VAL 135 CO 0.36 0.03 0.02 -0.69 0.00 0.00 0.00 175.10 174.81 3kji s VAL 136 N 0.39 0.79 -0.15 2.92 1.01 -0.37 0.36 120.40 125.34 3kji s VAL 136 Ca -0.03 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3kji s VAL 136 Cb -0.04 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.09 3kji s VAL 136 CO -0.01 -0.20 -0.20 -0.32 0.00 0.00 0.00 175.10 174.37 3kji s MET 137 N 1.73 3.07 0.28 2.72 0.00 -0.22 -0.72 119.30 126.16 3kji s MET 137 Ca -0.02 -0.82 0.02 0.00 0.00 0.00 0.00 55.69 54.87 3kji s MET 137 Cb -0.18 -2.52 -0.03 0.00 0.00 0.00 0.00 34.83 32.10 3kji s MET 137 CO -0.08 -0.05 0.45 0.16 0.00 0.00 0.00 175.02 175.49 3kji s ASP 138 N 0.94 6.32 0.13 1.11 -4.77 -0.39 -1.20 116.67 118.81 3kji s ASP 138 Ca -0.04 0.30 -0.25 0.00 -3.30 0.00 0.00 52.55 49.27 3kji s ASP 138 Cb -0.15 -1.97 0.07 0.00 -1.09 0.00 0.00 42.92 39.78 3kji s ASP 138 CO -0.04 -0.17 0.89 0.00 0.70 0.00 0.00 175.17 176.55 3kji s MET 139 N -4.01 1.20 1.04 2.11 0.23 -0.12 -1.35 119.30 118.41 3kji s MET 139 Ca 0.38 -0.61 -0.15 0.00 -1.03 0.00 0.00 55.69 54.28 3kji s MET 139 Cb -0.10 0.44 0.21 0.00 -1.53 0.00 0.00 34.83 33.86 3kji s MET 139 CO 0.32 -0.54 1.13 0.20 -2.03 0.00 0.00 175.02 174.10 3kji s GLY 140 N -2.82 1.59 0.65 3.16 0.00 -1.26 -2.72 107.32 105.92 3kji s GLY 140 Ca 0.10 -0.69 0.37 0.00 0.00 0.00 0.00 44.72 44.49 3kji s GLY 140 CO -0.01 0.02 2.18 0.00 0.00 0.00 0.00 173.10 175.29 3kji h ALA 141 N -2.00 1.26 0.00 3.20 0.00 -1.87 -0.88 119.26 118.96 3kji h ALA 141 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3kji h ALA 141 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3kji h ALA 141 CO 0.49 -0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.99 3kji n GLY 142 N -1.19 -1.54 4.41 0.00 0.00 -1.26 -4.67 105.19 100.94 3kji n GLY 142 Ca -0.02 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3kji n GLY 142 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kji n ILE 143 N -2.12 -0.09 0.31 -0.61 -5.35 -0.33 -4.80 119.36 106.37 3kji n ILE 143 Ca 0.05 -0.04 0.20 0.00 -0.27 0.00 0.00 62.75 62.68 3kji n ILE 143 Cb 0.36 -0.52 0.96 0.00 -1.74 0.00 0.00 39.64 38.70 3kji n ILE 143 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 3kji h GLU 144 N -0.91 0.00 0.00 6.28 3.07 -1.91 -2.64 114.58 118.47 3kji h GLU 144 Ca -0.58 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.28 3kji h GLU 144 Cb 1.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 3kji h GLU 144 CO 0.85 0.00 0.00 0.45 -1.40 0.00 0.00 179.01 178.91 3kji h HIS 145 N 0.00 0.00 -3.41 4.33 3.86 -1.94 -3.45 115.15 114.54 3kji h HIS 145 Ca 0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 3kji h HIS 145 Cb 0.18 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.62 3kji h HIS 145 CO 0.00 0.00 -0.14 -0.51 0.86 0.00 0.00 177.93 178.14 3kji s LEU 146 N -5.41 4.18 0.23 2.43 1.43 -1.00 -5.00 118.68 115.54 3kji s LEU 146 Ca 0.06 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 3kji s LEU 146 Cb 0.09 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 3kji s LEU 146 CO 0.56 -0.05 0.11 0.42 0.23 0.00 0.00 176.35 177.61 3kji s THR 147 N -1.79 0.31 0.28 5.49 -4.23 -1.26 -5.00 115.64 109.44 3kji s THR 147 Ca 0.46 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.98 3kji s THR 147 Cb -0.11 -2.54 0.28 0.00 1.34 0.00 0.00 72.50 71.47 3kji s THR 147 CO 0.21 -0.03 1.87 0.03 -0.54 0.00 0.00 174.62 176.16 3kji h ARG 148 N 2.51 1.04 -0.02 3.99 3.08 -1.96 0.13 114.38 123.15 3kji h ARG 148 Ca -0.37 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 59.64 3kji h ARG 148 Cb 1.25 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 31.03 3kji h ARG 148 CO 0.58 0.69 -0.11 0.78 -1.07 0.00 0.00 179.97 180.84 3kji h GLY 149 N 1.07 -0.11 1.58 0.04 0.00 -1.96 -3.11 103.07 100.59 3kji h GLY 149 Ca 0.45 0.13 -0.26 0.00 0.00 0.00 0.00 47.33 47.64 3kji h GLY 149 CO -0.20 -0.11 -1.17 -0.91 0.00 0.00 0.00 176.54 174.14 3kji h THR 150 N -0.17 1.45 0.00 4.70 1.35 -1.89 -3.23 112.91 115.12 3kji h THR 150 Ca 0.05 -2.85 0.00 0.00 -0.55 0.00 0.00 66.41 63.06 3kji h THR 150 Cb 0.24 2.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 3kji h THR 150 CO -0.12 0.84 0.42 0.00 -0.25 0.00 0.00 175.52 176.40 3kji h ALA 151 N 0.60 1.32 -0.44 6.62 0.00 -0.69 0.45 119.26 127.12 3kji h ALA 151 Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 3kji h ALA 151 Cb 1.87 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 3kji h ALA 151 CO 0.20 -0.32 -0.23 -0.22 0.00 0.00 0.00 179.25 178.68 3kji h LYS 152 N 0.00 0.94 0.00 0.00 3.64 -1.57 -3.21 116.57 116.37 3kji h LYS 152 Ca 0.00 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3kji h LYS 152 Cb 0.84 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 3kji h LYS 152 CO 0.00 1.08 -0.19 0.00 -2.27 0.00 0.00 179.45 178.07 3kji h ALA 153 N 0.83 0.89 -1.85 5.00 0.00 -0.32 -3.45 119.26 120.37 3kji h ALA 153 Ca 0.10 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.45 3kji h ALA 153 Cb 0.81 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3kji h ALA 153 CO 0.07 0.00 1.41 0.08 0.00 0.00 0.00 179.25 180.81 3kji s VAL 154 N -3.18 3.23 0.34 0.00 1.01 -1.18 -4.66 120.40 115.96 3kji s VAL 154 Ca 0.07 0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.32 3kji s VAL 154 Cb 0.09 -3.35 0.16 0.00 0.00 0.00 0.00 36.38 33.28 3kji s VAL 154 CO 0.66 -0.25 1.88 0.44 0.00 0.00 0.00 175.10 177.83 3kji h ASP 155 N 14.73 0.46 -3.60 3.32 3.32 -1.27 -3.44 116.42 129.94 3kji h ASP 155 Ca -0.35 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 56.63 3kji h ASP 155 Cb 1.21 -0.12 -0.23 0.00 0.22 0.00 0.00 39.33 40.40 3kji h ASP 155 CO 1.04 0.54 0.27 -0.32 -1.72 0.00 0.00 179.24 179.04 3kji s MET 156 N -4.96 0.69 -0.24 3.56 1.75 -1.22 -4.56 119.30 114.31 3kji s MET 156 Ca -0.07 0.84 -0.08 0.00 -1.25 0.00 0.00 55.69 55.12 3kji s MET 156 Cb 0.15 0.32 -0.03 0.00 2.84 0.00 0.00 34.83 38.12 3kji s MET 156 CO 0.76 -0.08 0.09 1.41 -0.65 0.00 0.00 175.02 176.54 3kji s MET 157 N 0.39 3.75 -0.39 4.11 1.75 0.49 -2.26 119.30 127.14 3kji s MET 157 Ca 0.01 -0.43 -0.12 0.00 -1.25 0.00 0.00 55.69 53.89 3kji s MET 157 Cb -0.05 -3.36 0.02 0.00 2.84 0.00 0.00 34.83 34.29 3kji s MET 157 CO -0.03 -0.11 0.24 0.42 -0.65 0.00 0.00 175.02 174.88 3kji s ILE 158 N 1.43 4.80 -0.14 10.11 1.01 0.19 -1.25 121.20 137.36 3kji s ILE 158 Ca 0.06 -0.79 -0.20 0.00 0.00 0.00 0.00 60.65 59.72 3kji s ILE 158 Cb -0.15 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 3kji s ILE 158 CO 0.04 -0.26 0.55 0.00 0.00 0.00 0.00 174.94 175.28 3kji s ALA 159 N 1.59 3.48 -0.21 9.38 0.00 -0.12 -0.88 121.76 135.00 3kji s ALA 159 Ca 0.03 -0.19 -0.06 0.00 0.00 0.00 0.00 51.96 51.74 3kji s ALA 159 Cb -0.19 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 3kji s ALA 159 CO 0.08 -0.20 0.03 0.08 0.00 0.00 0.00 175.76 175.75 3kji s VAL 160 N 1.08 4.19 0.20 0.00 1.01 -0.13 -1.29 120.40 125.46 3kji s VAL 160 Ca 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.04 3kji s VAL 160 Cb -0.16 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 3kji s VAL 160 CO 0.12 0.41 0.08 0.27 0.00 0.00 0.00 175.10 175.98 3kji s ILE 161 N 1.04 0.33 0.26 2.22 -4.36 -0.83 -4.43 121.20 115.43 3kji s ILE 161 Ca 0.03 -1.98 0.07 0.00 -0.26 0.00 0.00 60.65 58.51 3kji s ILE 161 Cb -0.14 -2.41 -0.04 0.00 1.25 0.00 0.00 42.46 41.12 3kji s ILE 161 CO 0.02 -0.16 0.18 -1.61 0.24 0.00 0.00 174.94 173.61 3kji s GLU 162 N -4.05 2.85 -1.29 0.37 2.02 -1.26 -0.84 118.70 116.49 3kji s GLU 162 Ca 0.34 -1.11 -0.17 0.00 0.02 0.00 0.00 54.97 54.05 3kji s GLU 162 Cb 0.07 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.79 3kji s GLU 162 CO 0.10 0.38 2.08 -0.35 0.02 0.00 0.00 175.26 177.48 3kji n PRO 163 N -1.16 2.60 -3.59 0.39 -0.04 -1.26 -4.32 135.00 127.62 3kji n PRO 163 Ca -0.07 -2.57 -0.16 0.00 -0.04 0.00 0.00 63.50 60.66 3kji n PRO 163 Cb 0.58 -3.28 -0.06 0.00 -0.04 0.00 0.00 33.50 30.70 3kji n PRO 163 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kji s ASN 164 N 3.87 -0.48 0.23 3.54 2.20 -1.26 -4.92 114.94 118.12 3kji s ASN 164 Ca 0.51 0.40 -0.08 0.00 -0.94 0.00 0.00 52.86 52.75 3kji s ASN 164 Cb 0.12 0.47 0.39 0.00 -2.00 0.00 0.00 41.25 40.23 3kji s ASN 164 CO -0.01 -0.61 1.66 -0.07 -2.94 0.00 0.00 177.10 175.13 3kji h LEU 165 N 3.14 -0.24 0.32 3.54 -0.00 -1.98 -1.23 115.31 118.85 3kji h LEU 165 Ca -0.29 0.17 -0.01 0.00 -0.00 0.00 0.00 57.88 57.75 3kji h LEU 165 Cb 1.17 0.29 -0.00 0.00 -0.00 0.00 0.00 40.66 42.11 3kji h LEU 165 CO 0.40 -0.13 -0.19 0.78 -0.00 0.00 0.00 178.44 179.30 3kji h ASN 166 N 0.14 -0.47 -0.52 -0.43 2.35 -1.97 -2.39 115.58 112.28 3kji h ASN 166 Ca 0.38 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 56.15 3kji h ASN 166 Cb 0.65 0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.13 3kji h ASN 166 CO -0.58 -0.30 0.32 -1.28 -1.65 0.00 0.00 177.43 173.93 3kji h SER 167 N -0.48 0.64 -0.82 5.81 0.87 -1.75 -2.09 113.55 115.72 3kji h SER 167 Ca -0.03 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 3kji h SER 167 Cb 0.40 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 3kji h SER 167 CO 0.04 0.50 0.49 0.40 -0.53 0.00 0.00 176.83 177.72 3kji h ILE 168 N 0.74 1.23 0.00 2.23 2.04 -0.94 0.21 117.51 123.02 3kji h ILE 168 Ca 0.19 -0.52 -0.19 0.00 1.00 0.00 0.00 64.86 65.35 3kji h ILE 168 Cb -0.02 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 3kji h ILE 168 CO -0.04 0.25 -0.85 0.07 0.00 0.00 0.00 178.15 177.58 3kji h LYS 169 N 1.14 0.13 -0.82 2.37 2.10 -0.90 -0.89 116.57 119.70 3kji h LYS 169 Ca 0.30 -0.14 -0.02 0.00 -2.00 0.00 0.00 60.65 58.79 3kji h LYS 169 Cb -0.03 0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 31.30 3kji h LYS 169 CO -0.05 0.90 0.44 1.15 -2.00 0.00 0.00 179.45 179.88 3kji h THR 170 N 0.07 1.24 -0.63 0.07 2.02 -0.83 0.49 112.91 115.33 3kji h THR 170 Ca -0.03 -0.61 -0.06 0.00 0.77 0.00 0.00 66.41 66.48 3kji h THR 170 Cb 1.47 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 3kji h THR 170 CO 0.12 0.27 0.16 1.23 0.37 0.00 0.00 175.52 177.67 3kji h GLY 171 N 1.14 1.07 1.60 2.16 0.00 -0.26 -2.53 103.07 106.25 3kji h GLY 171 Ca 0.29 -0.64 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 3kji h GLY 171 CO -0.04 0.60 -0.49 1.41 0.00 0.00 0.00 176.54 178.02 3kji h LEU 172 N 0.95 0.47 -1.15 3.11 3.38 -0.21 -2.71 115.31 119.14 3kji h LEU 172 Ca 0.20 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 3kji h LEU 172 Cb 0.33 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3kji h LEU 172 CO -0.00 0.88 -0.36 -1.13 0.09 0.00 0.00 178.44 177.92 3kji h ASN 173 N 0.34 0.13 -0.29 -0.43 -1.24 -0.67 -1.47 115.58 111.96 3kji h ASN 173 Ca 0.02 -0.04 -0.05 0.00 0.71 0.00 0.00 56.30 56.93 3kji h ASN 173 Cb 0.98 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.99 3kji h ASN 173 CO 0.09 0.48 -0.02 0.40 -1.29 0.00 0.00 177.43 177.09 3kji h ILE 174 N 0.11 1.26 -0.16 2.57 2.04 -1.28 -0.45 117.51 121.60 3kji h ILE 174 Ca 0.01 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 3kji h ILE 174 Cb 0.69 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 3kji h ILE 174 CO 0.05 0.31 0.03 -0.08 0.00 0.00 0.00 178.15 178.47 3kji h GLU 175 N 0.30 0.23 0.27 2.37 4.81 -1.15 0.34 114.58 121.74 3kji h GLU 175 Ca 0.08 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3kji h GLU 175 Cb 0.46 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3kji h GLU 175 CO 0.02 0.22 -0.13 -0.22 -0.73 0.00 0.00 179.01 178.17 3kji h LYS 176 N 0.23 -0.35 -0.86 1.92 1.63 -0.91 -1.39 116.57 116.84 3kji h LYS 176 Ca 0.06 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.94 3kji h LYS 176 Cb 0.10 0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 31.76 3kji h LYS 176 CO -0.00 0.00 0.56 -0.07 -3.45 0.00 0.00 179.45 176.49 3kji h LEU 177 N -0.87 0.85 -0.32 5.20 3.38 -0.86 0.38 115.31 123.07 3kji h LEU 177 Ca -0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 3kji h LEU 177 Cb 0.51 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3kji h LEU 177 CO 0.06 0.55 -0.29 0.00 0.09 0.00 0.00 178.44 178.85 3kji h ALA 178 N 1.53 0.46 0.02 1.53 0.00 -0.97 -2.49 119.26 119.34 3kji h ALA 178 Ca 0.37 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kji h ALA 178 Cb 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kji h ALA 178 CO -0.13 0.48 -0.01 0.78 0.00 0.00 0.00 179.25 180.37 3kji h GLY 179 N 0.52 -0.03 0.22 0.00 0.00 -0.50 -0.59 103.07 102.69 3kji h GLY 179 Ca 0.05 0.01 0.19 0.00 0.00 0.00 0.00 47.33 47.58 3kji h GLY 179 CO 0.07 -0.01 0.61 -0.55 0.00 0.00 0.00 176.54 176.67 3kji h ASP 180 N -0.11 0.70 1.17 0.19 3.45 -0.94 0.73 116.42 121.61 3kji h ASP 180 Ca -0.00 0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.53 3kji h ASP 180 Cb 0.10 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 3kji h ASP 180 CO 0.00 0.27 0.00 0.25 -1.57 0.00 0.00 179.24 178.20 3kji h LEU 181 N 0.69 0.00 0.00 1.55 5.85 -1.06 -3.47 115.31 118.87 3kji h LEU 181 Ca 0.54 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.26 3kji h LEU 181 Cb 0.93 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3kji h LEU 181 CO -0.31 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.40 3kji n GLY 182 N 0.40 1.13 3.65 3.75 0.00 0.25 -4.27 105.19 110.11 3kji n GLY 182 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3kji n GLY 182 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kji s ILE 183 N -2.00 4.75 0.21 -0.61 1.01 -0.29 -4.77 121.20 119.50 3kji s ILE 183 Ca 0.00 1.78 -0.01 0.00 0.00 0.00 0.00 60.65 62.41 3kji s ILE 183 Cb 0.00 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 3kji s ILE 183 CO 0.00 -0.14 1.54 0.11 0.00 0.00 0.00 174.94 176.45 3kji h LYS 184 N 7.60 0.49 -4.93 2.79 1.79 -1.86 -3.38 116.57 119.07 3kji h LYS 184 Ca -0.21 -0.30 -0.67 0.00 -2.18 0.00 0.00 60.65 57.29 3kji h LYS 184 Cb 1.08 0.03 -0.32 0.00 -1.58 0.00 0.00 32.23 31.44 3kji h LYS 184 CO 0.93 0.89 -0.75 0.15 -1.08 0.00 0.00 179.45 179.59 3kji s LYS 185 N -4.01 2.92 -0.21 3.15 1.02 -1.26 -5.07 119.74 116.28 3kji s LYS 185 Ca -0.07 -0.92 0.01 0.00 0.02 0.00 0.00 55.97 55.02 3kji s LYS 185 Cb 0.12 -2.95 0.04 0.00 -0.52 0.00 0.00 37.83 34.52 3kji s LYS 185 CO 0.83 -0.36 -0.11 0.08 -0.92 0.00 0.00 175.35 174.87 3kji s VAL 186 N 1.34 1.74 0.17 3.17 1.01 -1.26 -0.38 120.40 126.20 3kji s VAL 186 Ca 0.01 -1.12 0.11 0.00 0.00 0.00 0.00 61.98 60.98 3kji s VAL 186 Cb -0.16 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3kji s VAL 186 CO -0.05 0.14 -0.23 -0.13 0.00 0.00 0.00 175.10 174.83 3kji s ARG 187 N 1.34 1.42 -0.01 2.72 1.81 -0.38 -4.92 118.95 120.94 3kji s ARG 187 Ca -0.02 -1.45 0.00 0.00 -1.72 0.00 0.00 55.73 52.54 3kji s ARG 187 Cb -0.17 -1.73 -0.04 0.00 -0.45 0.00 0.00 34.95 32.56 3kji s ARG 187 CO -0.08 0.38 0.04 0.71 -0.68 0.00 0.00 175.30 175.67 3kji s TYR 188 N -1.59 3.19 -0.18 -0.53 2.02 0.78 -0.95 117.35 120.10 3kji s TYR 188 Ca 0.18 0.15 0.00 0.00 -0.37 0.00 0.00 57.07 57.03 3kji s TYR 188 Cb -0.08 -1.71 0.04 0.00 -0.40 0.00 0.00 41.96 39.81 3kji s TYR 188 CO 0.08 0.51 -0.09 0.08 -1.57 0.00 0.00 175.55 174.57 3kji s VAL 189 N -1.14 1.42 -0.11 0.71 1.01 -0.41 0.44 120.40 122.32 3kji s VAL 189 Ca 0.21 -0.82 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 3kji s VAL 189 Cb -0.12 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3kji s VAL 189 CO 0.12 0.18 0.60 -0.63 0.00 0.00 0.00 175.10 175.37 3kji s ILE 190 N 1.50 5.09 0.22 2.22 -1.09 -0.77 -1.96 121.20 126.42 3kji s ILE 190 Ca 0.00 1.21 0.10 0.00 -2.23 0.00 0.00 60.65 59.73 3kji s ILE 190 Cb -0.15 -3.94 -0.05 0.00 -1.58 0.00 0.00 42.46 36.74 3kji s ILE 190 CO -0.08 0.25 -0.20 0.21 -1.23 0.00 0.00 174.94 173.89 3kji s ASN 191 N 0.82 3.19 -1.44 3.58 3.04 -0.02 -0.11 114.94 124.00 3kji s ASN 191 Ca 0.31 -0.96 -0.04 0.00 0.04 0.00 0.00 52.86 52.22 3kji s ASN 191 Cb -0.16 -0.23 0.00 0.00 -1.54 0.00 0.00 41.25 39.32 3kji s ASN 191 CO 0.14 0.01 0.49 0.29 -3.04 0.00 0.00 177.10 174.98 3kji n LYS 192 N -0.20 -4.11 -2.45 0.43 5.02 -0.60 -4.26 118.16 112.00 3kji n LYS 192 Ca -0.09 0.84 -0.42 0.00 -2.02 0.00 0.00 58.31 56.62 3kji n LYS 192 Cb 0.59 -5.52 -0.03 0.00 -0.02 0.00 0.00 35.03 30.05 3kji n LYS 192 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kji s VAL 193 N -3.10 4.19 -0.07 -0.18 1.01 -1.07 -4.30 120.40 116.87 3kji s VAL 193 Ca 0.24 1.54 0.16 0.00 0.00 0.00 0.00 61.98 63.92 3kji s VAL 193 Cb -0.11 -3.99 -0.24 0.00 0.00 0.00 0.00 36.38 32.05 3kji s VAL 193 CO 0.30 0.04 0.37 0.54 0.00 0.00 0.00 175.10 176.35 3kji n ARG 194 N 4.73 0.59 -3.93 2.72 1.74 -1.26 -0.70 116.66 120.55 3kji n ARG 194 Ca 0.10 -0.13 -0.09 0.00 -0.77 0.00 0.00 57.85 56.96 3kji n ARG 194 Cb 0.46 -1.36 -0.03 0.00 -1.02 0.00 0.00 32.46 30.52 3kji n ARG 194 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kji s ASN 195 N -3.70 -0.02 0.23 0.55 6.03 -1.26 -5.00 114.94 111.78 3kji s ASN 195 Ca -0.05 -0.92 -0.01 0.00 -1.03 0.00 0.00 52.86 50.85 3kji s ASN 195 Cb 0.10 0.69 0.25 0.00 -3.03 0.00 0.00 41.25 39.26 3kji s ASN 195 CO 0.65 -1.32 1.61 0.40 -2.03 0.00 0.00 177.10 176.40 3kji h ILE 196 N 2.11 1.30 -0.64 0.54 5.03 -1.99 -2.77 117.51 121.08 3kji h ILE 196 Ca -0.25 -1.55 0.12 0.00 -0.12 0.00 0.00 64.86 63.06 3kji h ILE 196 Cb 1.25 1.55 -0.04 0.00 -3.03 0.00 0.00 36.82 36.55 3kji h ILE 196 CO 0.33 0.49 0.43 0.50 -0.68 0.00 0.00 178.15 179.21 3kji h LYS 197 N 0.44 0.35 -0.06 2.37 3.64 -1.99 0.13 116.57 121.45 3kji h LYS 197 Ca 0.04 -0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 59.17 3kji h LYS 197 Cb 0.88 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.63 3kji h LYS 197 CO 0.08 0.23 -0.89 0.93 -2.27 0.00 0.00 179.45 177.53 3kji h GLU 198 N 0.36 0.61 -0.69 1.90 5.08 -1.85 -2.62 114.58 117.38 3kji h GLU 198 Ca 0.30 -0.58 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3kji h GLU 198 Cb 0.69 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 3kji h GLU 198 CO -0.08 1.20 0.42 0.93 -1.00 0.00 0.00 179.01 180.47 3kji h GLU 199 N 0.38 0.93 -0.66 2.33 5.08 -0.66 -2.11 114.58 119.88 3kji h GLU 199 Ca -0.08 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 3kji h GLU 199 Cb 1.52 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 3kji h GLU 199 CO 0.17 0.66 0.25 0.87 -1.00 0.00 0.00 179.01 179.96 3kji h LYS 200 N 0.94 1.00 -0.43 2.33 1.57 -1.03 -1.80 116.57 119.14 3kji h LYS 200 Ca 0.25 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3kji h LYS 200 Cb -0.03 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3kji h LYS 200 CO -0.05 0.84 0.28 1.25 -0.57 0.00 0.00 179.45 181.20 3kji h LEU 201 N 0.94 0.50 -0.22 2.94 5.85 -1.08 -1.66 115.31 122.59 3kji h LEU 201 Ca 0.22 -0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.74 3kji h LEU 201 Cb 0.23 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3kji h LEU 201 CO -0.02 0.37 -0.59 0.40 -0.34 0.00 0.00 178.44 178.27 3kji h ILE 202 N 0.59 1.29 0.00 4.05 1.08 -0.91 -3.11 117.51 120.50 3kji h ILE 202 Ca 0.16 -1.79 0.00 0.00 -0.39 0.00 0.00 64.86 62.84 3kji h ILE 202 Cb -0.05 1.81 0.00 0.00 -3.07 0.00 0.00 36.82 35.51 3kji h ILE 202 CO -0.03 0.57 0.00 0.11 -0.69 0.00 0.00 178.15 178.11 3kji h LYS 203 N 0.53 0.00 0.00 2.37 1.57 -0.61 -0.89 116.57 119.55 3kji h LYS 203 Ca -0.01 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 3kji h LYS 203 Cb 1.21 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 3kji h LYS 203 CO 0.13 0.00 -1.32 1.57 -0.57 0.00 0.00 179.45 179.25 3kji h LYS 204 N 0.00 0.00 0.00 3.15 2.10 -1.32 -3.35 116.57 117.15 3kji h LYS 204 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kji h LYS 204 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 3kji h LYS 204 CO 0.00 0.51 -1.21 0.72 -2.00 0.00 0.00 179.45 177.46 3kji n HIS 205 N -3.06 0.17 -4.66 0.07 8.25 -1.12 -4.93 115.22 109.93 3kji n HIS 205 Ca -0.09 0.05 -0.26 0.00 -0.26 0.00 0.00 57.72 57.16 3kji n HIS 205 Cb 0.92 -0.37 -0.17 0.00 1.12 0.00 0.00 29.99 31.49 3kji n HIS 205 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3kji s LEU 206 N -3.87 1.71 0.19 2.41 1.43 -0.35 -5.09 118.68 115.10 3kji s LEU 206 Ca 0.02 -0.35 -0.33 0.00 -1.03 0.00 0.00 54.13 52.44 3kji s LEU 206 Cb 0.15 -0.95 -0.14 0.00 0.03 0.00 0.00 46.19 45.28 3kji s LEU 206 CO 0.84 0.05 1.37 -2.65 0.23 0.00 0.00 176.35 176.18 3kji n PRO 207 N 3.83 1.73 0.30 1.29 -0.02 -1.26 -4.65 135.00 136.22 3kji n PRO 207 Ca -0.22 0.62 0.18 0.00 -2.02 0.00 0.00 63.50 62.06 3kji n PRO 207 Cb 0.52 -2.25 0.91 0.00 -0.02 0.00 0.00 33.50 32.65 3kji n PRO 207 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3kji h GLU 208 N 4.35 0.00 0.00 -0.52 3.07 -1.95 -1.82 114.58 117.71 3kji h GLU 208 Ca -0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 3kji h GLU 208 Cb 1.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 3kji h GLU 208 CO 0.77 0.04 0.00 -0.40 -1.40 0.00 0.00 179.01 178.02 3kji n ASP 209 N -3.32 0.40 -0.11 1.42 5.68 -1.26 -2.82 116.55 116.53 3kji n ASP 209 Ca -0.02 0.54 0.12 0.00 -0.50 0.00 0.00 54.79 54.93 3kji n ASP 209 Cb 0.18 -0.65 0.20 0.00 -1.14 0.00 0.00 41.12 39.72 3kji n ASP 209 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3kji n LYS 210 N -1.88 0.34 -3.26 0.11 5.02 -0.68 -4.86 118.16 112.95 3kji n LYS 210 Ca 0.06 -0.22 -0.40 0.00 -2.02 0.00 0.00 58.31 55.73 3kji n LYS 210 Cb 0.37 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.81 3kji n LYS 210 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kji s ILE 211 N -2.82 5.09 0.07 -0.18 1.01 -1.13 -0.15 121.20 123.08 3kji s ILE 211 Ca 0.15 0.84 -0.14 0.00 0.00 0.00 0.00 60.65 61.50 3kji s ILE 211 Cb 0.18 -3.81 -0.26 0.00 0.01 0.00 0.00 42.46 38.57 3kji s ILE 211 CO 0.67 0.10 1.15 0.25 0.00 0.00 0.00 174.94 177.10 3kji h LEU 212 N 8.73 0.88 0.00 2.97 5.85 -0.33 -3.46 115.31 129.94 3kji h LEU 212 Ca -0.29 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 57.66 3kji h LEU 212 Cb 1.14 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.90 3kji h LEU 212 CO 0.71 1.57 0.00 0.61 -0.34 0.00 0.00 178.44 180.98 3kji n GLY 213 N 1.25 0.95 3.56 3.75 0.00 -1.21 -4.54 105.19 108.95 3kji n GLY 213 Ca -0.12 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 3kji n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kji s ILE 214 N -2.00 3.28 -0.15 -0.61 1.01 -1.26 -1.85 121.20 119.63 3kji s ILE 214 Ca 0.00 -1.32 -0.01 0.00 0.00 0.00 0.00 60.65 59.32 3kji s ILE 214 Cb 0.00 -2.53 0.04 0.00 0.01 0.00 0.00 42.46 39.97 3kji s ILE 214 CO 0.00 0.10 -0.06 -0.63 0.00 0.00 0.00 174.94 174.35 3kji s ILE 215 N -1.22 1.06 0.75 2.92 1.01 0.85 -4.75 121.20 121.81 3kji s ILE 215 Ca 0.21 -0.49 -0.12 0.00 0.00 0.00 0.00 60.65 60.25 3kji s ILE 215 Cb -0.11 -1.18 0.04 0.00 0.01 0.00 0.00 42.46 41.22 3kji s ILE 215 CO 0.13 0.21 1.10 -2.16 0.00 0.00 0.00 174.94 174.22 3kji s PRO 216 N 1.67 2.37 -0.11 2.79 0.04 -1.26 -1.55 135.00 138.95 3kji s PRO 216 Ca 0.02 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 62.01 3kji s PRO 216 Cb -0.14 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 3kji s PRO 216 CO -0.08 -1.57 1.15 -0.47 0.04 0.00 0.00 177.00 176.07 3kji s TYR 217 N -2.74 3.22 -0.07 0.56 5.04 0.12 -4.37 117.35 119.11 3kji s TYR 217 Ca 0.63 1.29 -0.00 0.00 -2.44 0.00 0.00 57.07 56.55 3kji s TYR 217 Cb -0.18 -3.37 0.02 0.00 0.35 0.00 0.00 41.96 38.79 3kji s TYR 217 CO 0.52 -1.04 -0.03 1.21 -1.34 0.00 0.00 175.55 174.87 3kji s ASN 218 N 1.45 1.47 0.40 4.32 3.84 -1.26 -4.91 114.94 120.25 3kji s ASN 218 Ca 0.52 -0.15 0.21 0.00 0.21 0.00 0.00 52.86 53.66 3kji s ASN 218 Cb -0.21 -0.53 1.14 0.00 -0.55 0.00 0.00 41.25 41.10 3kji s ASN 218 CO 0.18 -0.12 1.60 -0.08 -2.79 0.00 0.00 177.10 175.88 3kji h GLU 219 N 7.85 0.00 -0.01 0.43 4.57 -2.03 -2.74 114.58 122.66 3kji h GLU 219 Ca -0.28 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 57.93 3kji h GLU 219 Cb 1.14 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.69 3kji h GLU 219 CO 0.37 0.00 -0.23 1.25 -1.18 0.00 0.00 179.01 179.22 3kji h LEU 220 N 0.00 -0.67 -1.40 1.64 5.85 -1.97 -2.15 115.31 116.61 3kji h LEU 220 Ca 0.00 0.09 0.39 0.00 0.84 0.00 0.00 57.88 59.21 3kji h LEU 220 Cb 0.35 0.28 -0.12 0.00 0.37 0.00 0.00 40.66 41.54 3kji h LEU 220 CO 0.00 -0.30 0.80 -0.26 -0.34 0.00 0.00 178.44 178.35 3kji h PHE 221 N -0.36 0.55 0.00 1.25 -1.00 -1.85 0.61 116.94 116.14 3kji h PHE 221 Ca 0.06 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.84 3kji h PHE 221 Cb 0.44 -0.14 -0.00 0.00 3.61 0.00 0.00 35.95 39.85 3kji h PHE 221 CO -0.27 -0.14 -0.17 0.82 -1.61 0.00 0.00 178.31 176.93 3kji h ILE 222 N 0.16 1.18 0.00 -0.55 2.04 -1.62 -1.88 117.51 116.84 3kji h ILE 222 Ca 0.76 -1.94 0.00 0.00 1.00 0.00 0.00 64.86 64.68 3kji h ILE 222 Cb 2.30 2.28 0.00 0.00 -0.74 0.00 0.00 36.82 40.66 3kji h ILE 222 CO -0.39 0.40 0.00 -1.84 0.00 0.00 0.00 178.15 176.32 3kji n GLU 223 N -4.63 0.18 -0.09 2.37 0.28 -0.69 -1.94 120.64 116.12 3kji n GLU 223 Ca -0.10 0.16 -0.11 0.00 -0.16 0.00 0.00 57.16 56.95 3kji n GLU 223 Cb 0.38 -1.50 -0.11 0.00 1.43 0.00 0.00 31.44 31.64 3kji n GLU 223 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3kji n LEU 224 N -1.32 1.60 0.13 -1.84 7.94 0.20 -4.44 117.00 119.28 3kji n LEU 224 Ca 0.06 -0.06 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 3kji n LEU 224 Cb 0.12 -0.20 0.17 0.00 0.53 0.00 0.00 43.42 44.04 3kji n LEU 224 CO 0.11 0.64 0.49 0.28 -1.11 0.00 0.00 177.39 177.80 3kji h SER 225 N 0.00 0.01 0.07 1.96 0.02 -1.07 -2.94 113.55 111.59 3kji h SER 225 Ca -0.45 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3kji h SER 225 Cb 1.84 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.38 3kji h SER 225 CO -0.03 0.63 0.00 -0.11 -1.14 0.00 0.00 176.83 176.18 3kji n LEU 226 N -3.80 0.30 -4.17 5.07 7.94 -0.82 -4.67 117.00 116.85 3kji n LEU 226 Ca -0.01 0.63 -0.10 0.00 -1.11 0.00 0.00 56.01 55.42 3kji n LEU 226 Cb 0.62 -0.66 -0.10 0.00 0.53 0.00 0.00 43.42 43.81 3kji n LEU 226 CO 0.42 -0.70 -0.35 -1.59 -1.11 0.00 0.00 177.39 174.06 3kji s LYS 227 N -3.28 0.87 -0.83 1.96 -2.85 -1.11 -5.06 119.74 109.44 3kji s LYS 227 Ca -0.01 -1.38 -0.23 0.00 -1.00 0.00 0.00 55.97 53.35 3kji s LYS 227 Cb 0.04 -0.05 -0.16 0.00 -2.06 0.00 0.00 37.83 35.60 3kji s LYS 227 CO 0.13 -0.11 1.90 0.41 0.10 0.00 0.00 175.35 177.78 3kji n GLY 228 N -0.07 1.81 2.94 0.59 0.00 -1.26 -4.77 105.19 104.43 3kji n GLY 228 Ca -0.10 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.76 3kji n GLY 228 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kji s GLU 229 N 5.74 0.21 -0.03 1.61 2.02 -1.26 -5.12 118.70 121.87 3kji s GLU 229 Ca 0.63 0.59 -0.35 0.00 0.02 0.00 0.00 54.97 55.86 3kji s GLU 229 Cb 0.09 -0.39 -0.13 0.00 0.10 0.00 0.00 34.13 33.80 3kji s GLU 229 CO 0.15 -0.44 1.73 0.39 0.02 0.00 0.00 175.26 177.11 3kji n GLU 230 N 5.35 1.95 0.04 1.61 1.02 -1.26 -4.63 120.64 124.72 3kji n GLU 230 Ca -0.06 0.71 0.12 0.00 -0.02 0.00 0.00 57.16 57.92 3kji n GLU 230 Cb 0.50 -2.50 0.49 0.00 -0.02 0.00 0.00 31.44 29.91 3kji n GLU 230 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3kji n ILE 231 N 4.37 0.43 -1.29 -3.67 -5.35 -1.26 -3.55 119.36 109.05 3kji n ILE 231 Ca 0.21 -0.01 -0.20 0.00 -0.27 0.00 0.00 62.75 62.47 3kji n ILE 231 Cb 0.26 -0.68 0.18 0.00 -1.74 0.00 0.00 39.64 37.66 3kji n ILE 231 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3kji n TRP 232 N -1.80 2.68 -1.88 4.28 7.02 -1.26 -4.60 117.44 121.88 3kji n TRP 232 Ca 0.05 -1.84 -0.31 0.00 -1.02 0.00 0.00 57.50 54.38 3kji n TRP 232 Cb 0.33 -0.87 0.01 0.00 -2.42 0.00 0.00 31.31 28.36 3kji n TRP 232 CO 0.00 0.00 0.00 1.14 -2.02 0.00 0.00 177.69 176.81 3kji s GLN 233 N -3.31 3.57 0.61 -0.99 -2.07 -1.23 -4.90 119.66 111.34 3kji s GLN 233 Ca 0.55 0.78 0.27 0.00 -1.82 0.00 0.00 55.36 55.13 3kji s GLN 233 Cb 0.47 -2.08 1.29 0.00 -1.09 0.00 0.00 33.01 31.60 3kji s GLN 233 CO 0.08 -0.59 1.71 1.03 -1.32 0.00 0.00 175.29 176.20 3kji h SER 234 N -0.28 0.00 -0.20 12.60 0.87 -1.94 -0.88 113.55 123.73 3kji h SER 234 Ca -0.44 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.16 3kji h SER 234 Cb 1.19 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.11 3kji h SER 234 CO 0.62 0.00 -0.09 0.74 -0.53 0.00 0.00 176.83 177.56 3kji h THR 235 N 0.00 0.70 -2.30 2.23 2.02 -1.94 -3.42 112.91 110.21 3kji h THR 235 Ca 0.21 0.00 -0.55 0.00 0.77 0.00 0.00 66.41 66.85 3kji h THR 235 Cb 1.50 0.70 0.02 0.00 -1.74 0.00 0.00 68.15 68.63 3kji h THR 235 CO -0.00 0.00 1.21 -3.20 0.37 0.00 0.00 175.52 173.90 3kji n ASN 236 N -5.25 4.04 0.13 4.18 2.85 -0.34 -4.91 115.26 115.97 3kji n ASN 236 Ca -0.02 0.92 -0.14 0.00 -0.11 0.00 0.00 54.58 55.23 3kji n ASN 236 Cb 0.17 -1.50 -0.08 0.00 1.24 0.00 0.00 39.78 39.61 3kji n ASN 236 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3kji h PRO 237 N 10.32 -0.25 0.00 1.20 0.11 -1.88 -2.24 132.00 139.26 3kji h PRO 237 Ca -0.50 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kji h PRO 237 Cb 1.25 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3kji h PRO 237 CO 0.94 -0.11 0.16 0.00 -0.21 0.00 0.00 178.00 178.78 3kji n ALA 238 N -2.24 0.71 0.30 -0.75 0.00 -1.26 -1.11 120.51 116.15 3kji n ALA 238 Ca -0.09 0.02 0.18 0.00 0.00 0.00 0.00 53.44 53.55 3kji n ALA 238 Cb 0.15 -0.74 0.92 0.00 0.00 0.00 0.00 19.45 19.79 3kji n ALA 238 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3kji h PHE 239 N 0.00 0.00 0.03 0.00 3.57 -1.75 -2.46 116.94 116.33 3kji h PHE 239 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3kji h PHE 239 Cb 0.31 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.05 3kji h PHE 239 CO 0.00 0.03 -0.01 0.28 -2.23 0.00 0.00 178.31 176.38 3kji h VAL 240 N 0.00 1.42 -0.94 1.41 2.07 -1.32 -2.80 116.25 116.09 3kji h VAL 240 Ca -0.00 -1.54 0.21 0.00 0.82 0.00 0.00 66.70 66.19 3kji h VAL 240 Cb 0.24 2.43 -0.07 0.00 -1.52 0.00 0.00 31.29 32.36 3kji h VAL 240 CO 0.00 0.38 0.61 0.78 0.02 0.00 0.00 177.57 179.37 3kji h ASN 241 N -0.72 0.46 0.06 0.57 4.21 -1.65 0.23 115.58 118.74 3kji h ASN 241 Ca -0.00 0.05 -0.00 0.00 1.21 0.00 0.00 56.30 57.56 3kji h ASN 241 Cb 0.66 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.83 3kji h ASN 241 CO 0.01 0.17 -0.03 0.25 -1.29 0.00 0.00 177.43 176.54 3kji h LEU 242 N 0.45 -0.07 -1.32 1.61 5.85 -1.44 -0.12 115.31 120.28 3kji h LEU 242 Ca 0.50 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 59.07 3kji h LEU 242 Cb 1.19 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 3kji h LEU 242 CO -0.22 0.19 0.52 0.45 -0.34 0.00 0.00 178.44 179.04 3kji h HIS 243 N -0.33 0.83 -0.08 1.25 3.86 -0.42 0.53 115.15 120.80 3kji h HIS 243 Ca -0.01 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3kji h HIS 243 Cb 0.29 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 3kji h HIS 243 CO 0.01 0.42 0.03 -0.44 0.86 0.00 0.00 177.93 178.81 3kji h ASP 244 N 0.80 0.12 -0.71 2.45 3.45 -0.47 -2.10 116.42 119.96 3kji h ASP 244 Ca 0.35 -0.19 0.02 0.00 0.43 0.00 0.00 57.03 57.64 3kji h ASP 244 Cb 0.31 -0.03 -0.04 0.00 -0.56 0.00 0.00 39.33 39.01 3kji h ASP 244 CO -0.13 0.28 0.46 0.40 -1.57 0.00 0.00 179.24 178.68 3kji h ILE 245 N -0.05 1.13 -0.59 0.35 2.04 0.83 -2.22 117.51 119.01 3kji h ILE 245 Ca 0.03 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.59 3kji h ILE 245 Cb 0.20 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 3kji h ILE 245 CO -0.00 0.17 0.38 0.22 0.00 0.00 0.00 178.15 178.91 3kji h TYR 246 N 0.91 0.71 -0.56 1.37 3.20 0.20 -1.83 116.97 120.97 3kji h TYR 246 Ca 0.28 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.05 3kji h TYR 246 Cb -0.04 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 3kji h TYR 246 CO -0.03 0.43 -0.08 1.96 -1.64 0.00 0.00 178.16 178.80 3kji h GLN 247 N 0.76 1.04 -0.54 1.82 1.08 -1.12 -1.40 115.11 116.74 3kji h GLN 247 Ca 0.23 -0.37 -0.04 0.00 -1.45 0.00 0.00 58.65 57.01 3kji h GLN 247 Cb -0.04 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.29 3kji h GLN 247 CO -0.07 1.07 0.17 -0.22 -0.95 0.00 0.00 178.83 178.82 3kji h LYS 248 N 0.93 0.81 0.07 1.46 3.64 -1.23 -2.21 116.57 120.04 3kji h LYS 248 Ca 0.15 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kji h LYS 248 Cb 0.65 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3kji h LYS 248 CO 0.04 0.71 -0.03 1.25 -2.27 0.00 0.00 179.45 179.15 3kji h LEU 249 N 0.79 -0.08 -2.16 5.20 6.46 -0.98 -2.64 115.31 121.91 3kji h LEU 249 Ca 0.18 -0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 3kji h LEU 249 Cb 0.24 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 3kji h LEU 249 CO -0.01 0.09 0.00 0.03 -0.62 0.00 0.00 178.44 177.93 3kji h ARG 250 N -0.25 0.00 0.06 1.25 3.08 -0.94 -1.75 114.38 115.83 3kji h ARG 250 Ca -0.01 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.80 3kji h ARG 250 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3kji h ARG 250 CO 0.02 0.00 -1.07 1.25 -1.07 0.00 0.00 179.97 179.09 3kji h LEU 251 N 0.00 0.31 0.15 3.04 6.46 -1.05 -1.63 115.31 122.60 3kji h LEU 251 Ca 0.00 -0.31 -0.30 0.00 -0.12 0.00 0.00 57.88 57.16 3kji h LEU 251 Cb 0.18 -0.10 0.01 0.00 -0.73 0.00 0.00 40.66 40.02 3kji h LEU 251 CO 0.00 1.19 -1.37 -0.08 -0.62 0.00 0.00 178.44 177.56 3kji h GLU 252 N 0.08 0.32 0.00 1.25 4.81 -1.16 -3.29 114.58 116.60 3kji h GLU 252 Ca -0.08 -0.54 -0.16 0.00 -0.13 0.00 0.00 59.36 58.44 3kji h GLU 252 Cb 1.78 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 31.34 3kji h GLU 252 CO 0.17 1.24 -0.78 0.28 -0.73 0.00 0.00 179.01 179.19 3kji h VAL 253 N 0.09 1.52 0.00 0.32 2.07 -1.42 -3.52 116.25 115.30 3kji h VAL 253 Ca -0.19 -2.69 0.00 0.00 0.82 0.00 0.00 66.70 64.64 3kji h VAL 253 Cb 2.02 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 34.26 3kji h VAL 253 CO 0.21 0.76 0.00 0.61 0.02 0.00 0.00 177.57 179.17