#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 2.34 0.10 2.12 -0.14 -1.26 0.05 119.74 122.95 3kji s LYS 2 Ca 0.00 -1.35 0.08 0.00 -1.36 0.00 0.00 55.97 53.35 3kji s LYS 2 Cb 0.00 -3.18 -0.04 0.00 -1.68 0.00 0.00 37.83 32.93 3kji s LYS 2 CO 0.00 -0.66 -0.16 -0.51 -0.76 0.00 0.00 175.35 173.25 3kji s LEU 3 N 1.21 2.76 -0.08 3.17 1.02 0.11 0.26 118.68 127.14 3kji s LEU 3 Ca -0.04 -0.50 0.02 0.00 0.02 0.00 0.00 54.13 53.63 3kji s LEU 3 Cb -0.20 -1.60 0.01 0.00 0.02 0.00 0.00 46.19 44.42 3kji s LEU 3 CO -0.02 0.19 -0.13 0.00 0.02 0.00 0.00 176.35 176.42 3kji s ALA 4 N -1.12 1.35 -0.15 4.21 0.00 -0.62 -1.65 121.76 123.77 3kji s ALA 4 Ca 0.18 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.68 3kji s ALA 4 Cb -0.11 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.40 3kji s ALA 4 CO 0.10 0.06 -0.21 0.08 0.00 0.00 0.00 175.76 175.79 3kji s VAL 5 N 0.77 2.02 0.07 0.00 1.01 -0.29 0.33 120.40 124.31 3kji s VAL 5 Ca -0.12 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 60.94 3kji s VAL 5 Cb -0.16 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 3kji s VAL 5 CO 0.02 0.54 -0.07 0.00 0.00 0.00 0.00 175.10 175.59 3kji s ALA 6 N 1.04 0.76 -0.23 5.51 0.00 -0.34 -0.94 121.76 127.56 3kji s ALA 6 Ca -0.02 -1.04 -0.37 0.00 0.00 0.00 0.00 51.96 50.53 3kji s ALA 6 Cb -0.14 0.10 0.15 0.00 0.00 0.00 0.00 23.12 23.23 3kji s ALA 6 CO -0.07 -0.13 1.32 0.20 0.00 0.00 0.00 175.76 177.09 3kji s GLY 7 N -2.28 -0.26 0.87 0.00 0.00 -1.03 -1.21 107.32 103.40 3kji s GLY 7 Ca 0.00 1.68 -0.11 0.00 0.00 0.00 0.00 44.72 46.30 3kji s GLY 7 CO -0.02 0.55 1.10 1.25 0.00 0.00 0.00 173.10 175.97 3kji s LYS 8 N -2.19 1.48 0.39 2.90 2.47 -1.26 -2.47 119.74 121.06 3kji s LYS 8 Ca 0.11 1.15 -0.27 0.00 -1.56 0.00 0.00 55.97 55.40 3kji s LYS 8 Cb -0.00 -1.81 -0.09 0.00 -1.46 0.00 0.00 37.83 34.47 3kji s LYS 8 CO -0.03 -2.18 1.33 0.20 0.16 0.00 0.00 175.35 174.82 3kji s GLY 9 N -3.17 2.94 0.00 5.54 0.00 -1.26 -3.10 107.32 108.28 3kji s GLY 9 Ca 0.64 1.29 0.00 0.00 0.00 0.00 0.00 44.72 46.65 3kji s GLY 9 CO 0.57 1.90 0.00 0.61 0.00 0.00 0.00 173.10 176.18 3kji n GLY 10 N 0.67 3.32 0.25 0.20 0.00 -1.26 -4.91 105.19 103.45 3kji n GLY 10 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 3kji n GLY 10 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3kji h VAL 11 N 0.00 0.57 0.00 1.61 -1.51 -1.90 -3.46 116.25 111.56 3kji h VAL 11 Ca 0.00 -0.77 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 3kji h VAL 11 Cb 0.00 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 3kji h VAL 11 CO 0.00 0.16 0.00 0.61 -1.23 0.00 0.00 177.57 177.11 3kji n GLY 12 N -0.37 1.79 0.08 5.19 0.00 -1.26 -4.79 105.19 105.83 3kji n GLY 12 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 0.15 -0.15 1.61 3.64 -1.89 -1.33 116.57 118.60 3kji h LYS 13 Ca 0.00 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.21 3kji h LYS 13 Cb 0.00 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3kji h LYS 13 CO 0.00 0.26 -0.49 1.15 -2.27 0.00 0.00 179.45 178.10 3kji h THR 14 N 0.01 1.33 -0.70 1.00 2.02 -1.96 -1.65 112.91 112.96 3kji h THR 14 Ca 0.03 -1.72 -0.01 0.00 0.77 0.00 0.00 66.41 65.48 3kji h THR 14 Cb 0.16 1.75 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 3kji h THR 14 CO -0.00 0.53 0.39 0.74 0.37 0.00 0.00 175.52 177.54 3kji h THR 15 N 0.33 1.22 -0.42 3.16 2.02 -1.95 -0.38 112.91 116.88 3kji h THR 15 Ca 0.02 -0.54 -0.14 0.00 0.77 0.00 0.00 66.41 66.52 3kji h THR 15 Cb 0.99 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 3kji h THR 15 CO 0.09 0.24 -0.27 0.58 0.37 0.00 0.00 175.52 176.52 3kji h VAL 16 N 0.96 1.27 0.03 3.16 2.07 -1.02 -2.81 116.25 119.92 3kji h VAL 16 Ca 0.25 -1.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 3kji h VAL 16 Cb 0.03 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3kji h VAL 16 CO -0.04 0.48 -0.01 0.00 0.02 0.00 0.00 177.57 178.02 3kji h ALA 17 N 0.91 -0.04 -0.99 1.67 0.00 -0.78 -2.32 119.26 117.72 3kji h ALA 17 Ca 0.09 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.05 3kji h ALA 17 Cb 0.84 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 3kji h ALA 17 CO 0.07 -0.51 0.64 0.00 0.00 0.00 0.00 179.25 179.45 3kji h ALA 18 N 0.92 1.38 -0.53 0.00 0.00 -1.08 -0.97 119.26 118.99 3kji h ALA 18 Ca -0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3kji h ALA 18 Cb 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3kji h ALA 18 CO 0.01 0.43 -0.03 0.78 0.00 0.00 0.00 179.25 180.43 3kji h GLY 19 N 1.16 1.03 1.36 0.00 0.00 -1.25 -0.26 103.07 105.12 3kji h GLY 19 Ca 0.43 -0.78 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 3kji h GLY 19 CO -0.18 0.72 -0.34 1.41 0.00 0.00 0.00 176.54 178.16 3kji h LEU 20 N 0.82 0.74 -0.02 3.11 3.38 -1.07 -2.06 115.31 120.22 3kji h LEU 20 Ca 0.14 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3kji h LEU 20 Cb 0.58 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3kji h LEU 20 CO 0.03 1.02 0.01 0.40 0.09 0.00 0.00 178.44 179.99 3kji h ILE 21 N 0.60 1.08 0.04 1.22 2.04 -0.93 0.12 117.51 121.68 3kji h ILE 21 Ca 0.06 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.69 3kji h ILE 21 Cb 0.86 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 3kji h ILE 21 CO 0.07 0.06 -0.07 0.11 0.00 0.00 0.00 178.15 178.33 3kji h LYS 22 N -0.07 -0.14 -0.41 2.37 1.79 -0.98 -2.25 116.57 116.88 3kji h LYS 22 Ca 0.01 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.51 3kji h LYS 22 Cb 0.10 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 3kji h LYS 22 CO -0.00 -0.10 0.22 0.82 -1.08 0.00 0.00 179.45 179.32 3kji h ILE 23 N -0.15 1.01 -0.08 1.86 2.04 -1.30 -2.25 117.51 118.63 3kji h ILE 23 Ca 0.02 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.75 3kji h ILE 23 Cb 0.16 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 3kji h ILE 23 CO -0.05 0.08 0.13 0.24 0.00 0.00 0.00 178.15 178.56 3kji h MET 24 N 0.45 0.00 0.00 2.37 2.86 -0.41 -2.72 114.93 117.49 3kji h MET 24 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3kji h MET 24 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 3kji h MET 24 CO -0.10 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.87 3kji n ALA 25 N -2.22 1.06 0.07 6.32 0.00 -0.85 -1.81 120.51 123.08 3kji n ALA 25 Ca -0.01 0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.44 3kji n ALA 25 Cb 0.22 -1.25 -0.14 0.00 0.00 0.00 0.00 19.45 18.29 3kji n ALA 25 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3kji h SER 26 N 0.00 0.30 -0.18 0.00 0.02 -1.67 -3.34 113.55 108.68 3kji h SER 26 Ca 0.00 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 3kji h SER 26 Cb 0.02 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.46 3kji h SER 26 CO 0.00 1.32 0.00 0.47 -1.14 0.00 0.00 176.83 177.48 3kji n ASP 27 N -3.42 2.72 -4.20 3.07 8.00 -0.75 -4.96 116.55 117.01 3kji n ASP 27 Ca -0.12 -1.88 -0.18 0.00 0.71 0.00 0.00 54.79 53.32 3kji n ASP 27 Cb 1.02 -0.11 -0.12 0.00 -0.02 0.00 0.00 41.12 41.90 3kji n ASP 27 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kji s TYR 28 N -1.78 1.31 0.04 1.24 1.51 -1.07 -5.02 117.35 113.58 3kji s TYR 28 Ca 0.34 -0.50 0.12 0.00 -1.01 0.00 0.00 57.07 56.02 3kji s TYR 28 Cb 0.21 -0.72 0.09 0.00 -0.11 0.00 0.00 41.96 41.42 3kji s TYR 28 CO 0.30 0.09 1.44 -0.44 -1.11 0.00 0.00 175.55 175.84 3kji h ASP 29 N 3.97 0.00 -4.70 2.29 3.45 -1.92 -3.46 116.42 116.05 3kji h ASP 29 Ca -0.41 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.02 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 0.44 0.68 0.23 -0.75 -1.57 0.00 0.00 179.24 178.27 3kji s LYS 30 N -3.03 0.96 -0.03 3.56 2.20 -1.26 -4.76 119.74 117.37 3kji s LYS 30 Ca 0.02 0.36 -0.00 0.00 -0.36 0.00 0.00 55.97 55.99 3kji s LYS 30 Cb 0.09 0.45 0.03 0.00 -1.51 0.00 0.00 37.83 36.90 3kji s LYS 30 CO 0.77 -0.27 0.02 0.42 -0.36 0.00 0.00 175.35 175.92 3kji s ILE 31 N -0.92 0.06 -0.32 5.43 1.01 0.31 -3.74 121.20 123.04 3kji s ILE 31 Ca -0.08 0.18 -0.22 0.00 0.00 0.00 0.00 60.65 60.53 3kji s ILE 31 Cb -0.01 -0.19 -0.00 0.00 0.01 0.00 0.00 42.46 42.27 3kji s ILE 31 CO 0.07 0.13 0.71 -0.31 0.00 0.00 0.00 174.94 175.54 3kji s TYR 32 N 1.22 3.19 -0.25 3.97 2.02 -0.76 -0.79 117.35 125.95 3kji s TYR 32 Ca -0.07 0.64 -0.10 0.00 -0.37 0.00 0.00 57.07 57.17 3kji s TYR 32 Cb -0.13 -3.14 -0.04 0.00 -0.40 0.00 0.00 41.96 38.25 3kji s TYR 32 CO -0.03 -0.55 0.14 0.00 -1.57 0.00 0.00 175.55 173.55 3kji s ALA 33 N 2.80 3.46 -0.22 3.71 0.00 0.74 -1.05 121.76 131.21 3kji s ALA 33 Ca 0.28 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.24 3kji s ALA 33 Cb -0.14 -2.30 0.03 0.00 0.00 0.00 0.00 23.12 20.70 3kji s ALA 33 CO 0.13 -0.37 -0.13 0.08 0.00 0.00 0.00 175.76 175.46 3kji s VAL 34 N 1.41 2.38 -0.70 0.00 1.01 -0.14 -1.42 120.40 122.94 3kji s VAL 34 Ca 0.07 -1.12 -0.26 0.00 0.00 0.00 0.00 61.98 60.67 3kji s VAL 34 Cb -0.15 -2.16 0.04 0.00 0.00 0.00 0.00 36.38 34.11 3kji s VAL 34 CO 0.07 0.30 1.18 -0.62 0.00 0.00 0.00 175.10 176.02 3kji s ASP 35 N 1.26 6.20 -0.23 3.32 -1.08 -0.34 -1.80 116.67 123.99 3kji s ASP 35 Ca 0.00 -0.53 0.14 0.00 -0.52 0.00 0.00 52.55 51.64 3kji s ASP 35 Cb -0.16 -2.52 0.69 0.00 -1.46 0.00 0.00 42.92 39.47 3kji s ASP 35 CO -0.08 -1.68 1.63 0.61 0.52 0.00 0.00 175.17 176.16 3kji n GLY 36 N 5.33 3.62 2.56 2.66 0.00 -0.43 -1.69 105.19 117.24 3kji n GLY 36 Ca 0.02 -1.00 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.36 3.24 0.46 1.61 3.68 -1.25 -4.36 116.67 118.69 3kji s ASP 37 Ca 0.50 -1.12 0.31 0.00 2.13 0.00 0.00 52.55 54.37 3kji s ASP 37 Cb 0.39 -0.34 1.64 0.00 -1.45 0.00 0.00 42.92 43.17 3kji s ASP 37 CO 0.12 -0.42 1.95 -0.65 0.13 0.00 0.00 175.17 176.31 3kji h PRO 38 N 8.40 0.00 -0.00 4.34 0.11 -1.87 -2.20 132.00 140.77 3kji h PRO 38 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 3kji h PRO 38 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3kji h PRO 38 CO 0.40 0.00 -0.09 -0.25 -0.21 0.00 0.00 178.00 177.85 3kji n ASP 39 N -2.62 0.36 -3.86 -2.05 8.00 -1.26 -4.77 116.55 110.34 3kji n ASP 39 Ca -0.02 -0.47 -0.14 0.00 0.71 0.00 0.00 54.79 54.88 3kji n ASP 39 Cb 0.09 -0.12 -0.15 0.00 -0.02 0.00 0.00 41.12 40.92 3kji n ASP 39 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3kji s SER 40 N -2.50 0.17 -0.55 -2.24 0.01 -0.83 -5.05 113.70 102.71 3kji s SER 40 Ca 0.29 -0.01 -0.17 0.00 1.31 0.00 0.00 55.95 57.36 3kji s SER 40 Cb 0.20 -0.05 0.11 0.00 0.21 0.00 0.00 66.02 66.48 3kji s SER 40 CO 0.47 -0.03 0.57 0.00 0.41 0.00 0.00 173.24 174.67 3kji h LEU 42 N 9.32 0.17 -0.42 0.00 6.46 -1.94 -2.35 115.31 126.56 3kji h LEU 42 Ca -0.29 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.55 3kji h LEU 42 Cb 1.10 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.95 3kji h LEU 42 CO 1.03 0.13 0.05 1.23 -0.62 0.00 0.00 178.44 180.27 3kji h GLY 43 N 0.26 0.47 1.73 3.75 0.00 -1.96 0.67 103.07 107.99 3kji h GLY 43 Ca 0.11 0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 3kji h GLY 43 CO -0.08 -0.07 -0.09 1.46 0.00 0.00 0.00 176.54 177.76 3kji h GLN 44 N 0.17 0.33 0.00 4.80 4.20 -1.67 -0.37 115.11 122.57 3kji h GLN 44 Ca 0.21 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.71 3kji h GLN 44 Cb 0.27 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 3kji h GLN 44 CO -0.30 0.43 -0.62 1.79 -0.67 0.00 0.00 178.83 179.47 3kji h THR 45 N 0.32 1.27 0.00 -0.54 1.35 -0.76 -1.99 112.91 112.55 3kji h THR 45 Ca 0.07 -2.25 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 3kji h THR 45 Cb 0.36 2.27 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 3kji h THR 45 CO 0.02 0.60 0.00 0.18 -0.25 0.00 0.00 175.52 176.07 3kji n LEU 46 N -3.55 0.00 0.00 3.87 4.77 0.14 -4.43 117.00 117.79 3kji n LEU 46 Ca -0.00 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3kji n LEU 46 Cb 0.67 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3kji n LEU 46 CO 0.41 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3kji n GLY 47 N 0.65 0.95 3.84 -0.72 0.00 -0.75 -5.00 105.19 104.16 3kji n GLY 47 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 3.85 0.75 0.99 1.43 -0.23 -4.88 118.68 120.59 3kji s LEU 48 Ca 0.00 1.52 -0.12 0.00 -1.03 0.00 0.00 54.13 54.51 3kji s LEU 48 Cb 0.00 -4.39 0.04 0.00 0.03 0.00 0.00 46.19 41.87 3kji s LEU 48 CO 0.00 -0.41 1.11 -0.94 0.23 0.00 0.00 176.35 176.34 3kji s SER 49 N -2.58 4.98 0.21 2.29 1.04 -1.26 -4.16 113.70 114.22 3kji s SER 49 Ca 0.59 1.14 -0.10 0.00 0.48 0.00 0.00 55.95 58.06 3kji s SER 49 Cb -0.10 -1.87 0.17 0.00 0.10 0.00 0.00 66.02 64.32 3kji s SER 49 CO 0.21 -1.64 1.88 -0.29 0.98 0.00 0.00 173.24 174.38 3kji h ILE 50 N -0.86 1.21 -0.55 -1.02 2.10 -1.97 -2.16 117.51 114.26 3kji h ILE 50 Ca -0.46 -0.41 -0.03 0.00 1.08 0.00 0.00 64.86 65.03 3kji h ILE 50 Cb 1.27 0.07 -0.02 0.00 -1.09 0.00 0.00 36.82 37.05 3kji h ILE 50 CO 0.63 0.21 0.21 -0.33 -1.08 0.00 0.00 178.15 177.78 3kji h GLU 51 N 1.07 0.83 -0.59 2.19 3.07 -1.98 -0.36 114.58 118.81 3kji h GLU 51 Ca 0.29 -0.16 -0.05 0.00 -0.50 0.00 0.00 59.36 58.94 3kji h GLU 51 Cb -0.09 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 27.66 3kji h GLU 51 CO -0.06 0.73 0.18 0.93 -1.40 0.00 0.00 179.01 179.39 3kji h GLU 52 N 0.75 0.90 0.03 2.33 5.08 -1.87 -0.48 114.58 121.32 3kji h GLU 52 Ca 0.18 -0.17 -0.24 0.00 -1.00 0.00 0.00 59.36 58.13 3kji h GLU 52 Cb 0.22 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3kji h GLU 52 CO -0.01 0.78 -1.01 0.00 -1.00 0.00 0.00 179.01 177.77 3kji h ALA 53 N 1.32 0.31 0.00 3.43 0.00 -1.24 -3.14 119.26 119.94 3kji h ALA 53 Ca 0.20 -0.75 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 3kji h ALA 53 Cb 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3kji h ALA 53 CO -0.01 0.85 -0.26 -0.92 0.00 0.00 0.00 179.25 178.91 3kji h TYR 54 N 0.19 0.00 0.00 0.00 5.03 -0.76 -2.46 116.97 118.97 3kji h TYR 54 Ca -0.09 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.16 3kji h TYR 54 Cb 1.67 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.94 3kji h TYR 54 CO 0.06 0.26 -0.27 0.00 -1.32 0.00 0.00 178.16 176.89 3kji h ALA 55 N 1.74 0.99 -1.15 1.82 0.00 -1.04 -3.39 119.26 118.22 3kji h ALA 55 Ca -0.00 -0.25 -0.56 0.00 0.00 0.00 0.00 54.91 54.11 3kji h ALA 55 Cb 0.70 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 3kji h ALA 55 CO 0.03 0.34 1.32 0.42 0.00 0.00 0.00 179.25 181.36 3kji s ILE 56 N -3.59 3.81 0.10 0.00 1.01 -0.93 -4.96 121.20 116.65 3kji s ILE 56 Ca 0.01 -0.40 -0.34 0.00 0.00 0.00 0.00 60.65 59.92 3kji s ILE 56 Cb 0.10 -4.90 -0.13 0.00 0.01 0.00 0.00 42.46 37.54 3kji s ILE 56 CO 0.65 -1.80 1.66 0.41 0.00 0.00 0.00 174.94 175.87 3kji n THR 57 N 6.85 0.15 -1.98 2.92 -1.04 -1.26 -4.83 114.28 115.10 3kji n THR 57 Ca 0.25 -0.03 -0.33 0.00 -2.04 0.00 0.00 64.05 61.91 3kji n THR 57 Cb 0.50 -1.65 0.02 0.00 -1.82 0.00 0.00 70.33 67.39 3kji n THR 57 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3kji s PRO 58 N 1.74 3.15 0.15 -2.82 0.04 -1.26 -4.70 135.00 131.30 3kji s PRO 58 Ca 0.82 1.31 -0.26 0.00 0.04 0.00 0.00 61.00 62.91 3kji s PRO 58 Cb -0.67 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 31.86 3kji s PRO 58 CO 0.41 -0.96 1.58 -0.07 0.04 0.00 0.00 177.00 178.00 3kji h LEU 59 N 0.40 -1.28 -1.68 -3.56 4.07 -0.53 -2.15 115.31 110.58 3kji h LEU 59 Ca -0.47 0.19 0.20 0.00 0.08 0.00 0.00 57.88 57.88 3kji h LEU 59 Cb 1.23 0.56 -0.03 0.00 1.08 0.00 0.00 40.66 43.50 3kji h LEU 59 CO 0.56 -0.37 0.73 -0.29 -1.08 0.00 0.00 178.44 177.99 3kji h ILE 60 N -0.36 0.24 -0.53 1.22 6.09 -1.69 -0.17 117.51 122.31 3kji h ILE 60 Ca 0.13 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.62 3kji h ILE 60 Cb 0.58 0.42 0.00 0.00 0.47 0.00 0.00 36.82 38.29 3kji h ILE 60 CO -0.50 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 173.96 3kji n GLU 61 N -3.57 2.60 -1.67 2.19 1.02 -0.81 -4.63 120.64 115.76 3kji n GLU 61 Ca 0.14 -2.44 -0.40 0.00 -0.02 0.00 0.00 57.16 54.44 3kji n GLU 61 Cb 0.97 -1.53 -0.02 0.00 -0.02 0.00 0.00 31.44 30.84 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 1.54 4.13 -0.07 3.49 2.81 -0.08 -4.81 117.12 124.13 3kji n MET 62 Ca 0.21 -2.85 -0.02 0.00 -1.81 0.00 0.00 57.70 53.24 3kji n MET 62 Cb 0.61 -2.73 -0.02 0.00 -0.71 0.00 0.00 33.22 30.37 3kji n MET 62 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3kji n LYS 63 N 2.73 -0.07 -0.07 0.03 4.81 -1.26 0.13 118.16 124.46 3kji n LYS 63 Ca 0.70 0.77 -0.07 0.00 -0.87 0.00 0.00 58.31 58.83 3kji n LYS 63 Cb 0.24 -1.15 -0.01 0.00 0.02 0.00 0.00 35.03 34.13 3kji n LYS 63 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 3kji h ASP 64 N 0.00 -0.07 -0.67 3.14 5.19 -1.99 -0.23 116.42 121.78 3kji h ASP 64 Ca 0.03 0.05 0.05 0.00 -0.62 0.00 0.00 57.03 56.54 3kji h ASP 64 Cb 0.07 0.09 -0.04 0.00 0.18 0.00 0.00 39.33 39.63 3kji h ASP 64 CO -0.15 -0.00 0.44 -0.08 -3.12 0.00 0.00 179.24 176.32 3kji h GLU 65 N 0.10 0.74 -0.10 3.56 4.57 -1.66 0.73 114.58 122.51 3kji h GLU 65 Ca 0.12 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 3kji h GLU 65 Cb 0.15 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.57 3kji h GLU 65 CO -0.20 0.49 0.01 0.82 -1.18 0.00 0.00 179.01 178.95 3kji h ILE 66 N 0.76 1.23 -0.37 2.32 2.04 0.84 -1.41 117.51 122.92 3kji h ILE 66 Ca 0.28 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 3kji h ILE 66 Cb 0.15 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3kji h ILE 66 CO -0.08 0.21 0.06 -0.09 0.00 0.00 0.00 178.15 178.25 3kji h ARG 67 N -0.07 0.55 0.17 2.37 2.43 -0.27 -2.57 114.38 117.00 3kji h ARG 67 Ca 0.03 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3kji h ARG 67 Cb 0.31 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3kji h ARG 67 CO 0.00 0.53 -0.08 1.49 -1.51 0.00 0.00 179.97 180.40 3kji h GLU 68 N 0.54 -0.22 0.00 0.20 4.22 -0.77 -1.72 114.58 116.82 3kji h GLU 68 Ca 0.12 0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.58 3kji h GLU 68 Cb 0.25 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3kji h GLU 68 CO 0.00 0.18 -0.00 0.87 -2.18 0.00 0.00 179.01 177.88 3kji h LYS 69 N -0.74 0.00 0.00 1.92 1.79 -1.19 0.10 116.57 118.46 3kji h LYS 69 Ca -0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3kji h LYS 69 Cb 0.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 3kji h LYS 69 CO 0.04 0.00 -1.07 0.25 -1.08 0.00 0.00 179.45 177.59 3kji n THR 70 N -3.53 0.30 -1.99 -0.16 -2.24 -0.98 -4.58 114.28 101.10 3kji n THR 70 Ca -0.03 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3kji n THR 70 Cb 0.08 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 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 1.30 0.64 3.70 3.38 0.00 0.35 -0.10 105.19 114.46 3kji n GLY 71 Ca 0.01 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 3kji n GLY 71 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kji n ASP 72 N 1.71 1.73 0.00 1.61 8.00 -0.68 -2.46 116.55 126.44 3kji n ASP 72 Ca 0.00 0.82 0.00 0.00 0.71 0.00 0.00 54.79 56.32 3kji n ASP 72 Cb 0.46 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 3kji n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kji n GLY 73 N 1.02 1.16 0.00 0.44 0.00 -1.26 -4.94 105.19 101.61 3kji n GLY 73 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 5.67 3.59 -0.02 0.00 -1.03 -5.09 105.19 106.31 3kji n GLY 74 Ca 0.00 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 3kji n GLY 74 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kji s LEU 75 N 0.00 3.47 -0.23 0.99 2.96 -1.25 -4.91 118.68 119.71 3kji s LEU 75 Ca 0.00 1.21 -0.40 0.00 -0.22 0.00 0.00 54.13 54.71 3kji s LEU 75 Cb 0.00 -3.32 -0.16 0.00 0.50 0.00 0.00 46.19 43.20 3kji s LEU 75 CO 0.00 -1.88 1.63 -0.11 -1.32 0.00 0.00 176.35 174.67 3kji n LEU 76 N 11.01 2.03 -4.85 -0.68 -0.00 -1.26 -4.71 117.00 118.54 3kji n LEU 76 Ca 0.24 1.10 -0.38 0.00 -0.00 0.00 0.00 56.01 56.97 3kji n LEU 76 Cb 0.48 -1.11 -0.06 0.00 -0.00 0.00 0.00 43.42 42.73 3kji n LEU 76 CO 0.69 -0.64 0.01 -0.63 -0.00 0.00 0.00 177.39 176.81 3kji s ILE 77 N 2.80 5.20 -0.18 1.96 1.01 0.86 -5.03 121.20 127.82 3kji s ILE 77 Ca 0.96 0.61 -0.14 0.00 0.00 0.00 0.00 60.65 62.08 3kji s ILE 77 Cb -1.11 -3.60 -0.09 0.00 0.01 0.00 0.00 42.46 37.67 3kji s ILE 77 CO 0.64 0.59 -0.08 -0.11 0.00 0.00 0.00 174.94 175.98 3kji n LEU 78 N 1.91 1.85 -4.12 2.97 7.94 -1.26 -4.73 117.00 121.55 3kji n LEU 78 Ca -0.16 0.52 -0.37 0.00 -1.11 0.00 0.00 56.01 54.88 3kji n LEU 78 Cb 0.53 -0.89 -0.07 0.00 0.53 0.00 0.00 43.42 43.52 3kji n LEU 78 CO 0.35 -0.13 0.24 0.20 -1.11 0.00 0.00 177.39 176.94 3kji s ASN 79 N -6.25 5.78 0.94 1.96 -0.87 -1.26 -4.94 114.94 110.29 3kji s ASN 79 Ca -0.23 -3.31 -0.13 0.00 -1.57 0.00 0.00 52.86 47.63 3kji s ASN 79 Cb 0.04 -1.92 0.04 0.00 -0.02 0.00 0.00 41.25 39.40 3kji s ASN 79 CO 0.38 -0.29 0.46 -2.65 -2.57 0.00 0.00 177.10 172.44 3kji n PRO 80 N 2.90 -0.26 -3.22 -0.60 -0.02 -1.26 -4.96 135.00 127.57 3kji n PRO 80 Ca 0.16 -0.03 -0.44 0.00 -2.02 0.00 0.00 63.50 61.17 3kji n PRO 80 Cb 0.38 -1.89 -0.07 0.00 -0.02 0.00 0.00 33.50 31.91 3kji n PRO 80 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3kji s LYS 81 N -3.65 3.08 0.00 -0.52 -2.85 -1.26 -4.87 119.74 109.68 3kji s LYS 81 Ca 0.58 -1.01 0.00 0.00 -1.00 0.00 0.00 55.97 54.54 3kji s LYS 81 Cb -0.22 -4.10 0.00 0.00 -2.06 0.00 0.00 37.83 31.45 3kji s LYS 81 CO 0.66 -1.16 0.00 1.33 0.10 0.00 0.00 175.35 176.28 3kji n VAL 82 N 5.50 0.00 0.28 1.79 0.24 -1.26 -4.74 118.33 120.15 3kji n VAL 82 Ca -0.08 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.35 3kji n VAL 82 Cb 0.45 -0.14 0.69 0.00 -1.47 0.00 0.00 33.84 33.36 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 0.00 0.29 -1.34 2.03 -1.91 -1.58 116.42 113.90 3kji h ASP 83 Ca 0.00 0.00 -0.31 0.00 -0.73 0.00 0.00 57.03 55.99 3kji h ASP 83 Cb 0.36 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 38.89 3kji h ASP 83 CO 0.00 0.00 -1.36 1.23 -1.03 0.00 0.00 179.24 178.08 3kji h GLY 84 N 0.00 0.59 -2.76 7.15 0.00 -2.01 -3.33 103.07 102.71 3kji h GLY 84 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 47.33 45.92 3kji h GLY 84 CO 0.00 1.24 0.00 1.22 0.00 0.00 0.00 176.54 179.00 3kji n ASP 85 N -3.71 4.24 -0.33 0.19 9.92 -0.64 -4.61 116.55 121.62 3kji n ASP 85 Ca -0.14 -2.20 0.17 0.00 -0.53 0.00 0.00 54.79 52.09 3kji n ASP 85 Cb 1.05 -0.51 0.37 0.00 -0.64 0.00 0.00 41.12 41.39 3kji n ASP 85 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3kji h LEU 86 N 4.06 0.47 -0.07 0.64 5.85 -1.56 0.35 115.31 125.04 3kji h LEU 86 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3kji h LEU 86 Cb 1.17 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.31 3kji h LEU 86 CO 0.10 -0.00 0.00 0.47 -0.34 0.00 0.00 178.44 178.67 3kji n ASP 87 N -5.00 0.05 -0.02 1.25 9.92 -1.26 -2.02 116.55 119.47 3kji n ASP 87 Ca 0.26 -1.52 0.04 0.00 -0.53 0.00 0.00 54.79 53.04 3kji n ASP 87 Cb 0.76 -0.03 -0.05 0.00 -0.64 0.00 0.00 41.12 41.16 3kji n ASP 87 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3kji n LYS 88 N -0.46 3.82 -0.74 -1.24 5.02 0.12 -4.53 118.16 120.15 3kji n LYS 88 Ca 0.00 -0.04 -0.07 0.00 -2.02 0.00 0.00 58.31 56.17 3kji n LYS 88 Cb 0.01 -0.95 0.19 0.00 -0.02 0.00 0.00 35.03 34.27 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 -1.15 1.81 -2.50 2.13 4.01 -0.86 -4.96 117.16 115.64 3kji n TYR 89 Ca 0.02 -1.02 0.00 0.00 -0.16 0.00 0.00 57.90 56.74 3kji n TYR 89 Cb 0.15 -0.58 0.00 0.00 -0.31 0.00 0.00 39.34 38.60 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 -0.17 1.09 3.08 2.72 0.00 -1.26 -4.53 105.19 106.12 3kji n GLY 90 Ca 0.31 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 1.37 0.52 -0.02 1.61 1.81 -1.02 -5.00 118.95 118.23 3kji s ARG 91 Ca 0.00 -0.80 -0.23 0.00 -1.72 0.00 0.00 55.73 52.99 3kji s ARG 91 Cb 0.00 0.20 -0.05 0.00 -0.45 0.00 0.00 34.95 34.65 3kji s ARG 91 CO 0.00 -0.12 0.68 0.71 -0.68 0.00 0.00 175.30 175.89 3kji s TYR 92 N -2.55 3.65 -0.05 -0.53 2.02 -1.26 -0.17 117.35 118.46 3kji s TYR 92 Ca -0.06 1.29 -0.18 0.00 -0.37 0.00 0.00 57.07 57.75 3kji s TYR 92 Cb -0.02 -2.74 -0.31 0.00 -0.40 0.00 0.00 41.96 38.49 3kji s TYR 92 CO -0.05 0.23 0.80 0.82 -1.57 0.00 0.00 175.55 175.78 3kji h ILE 93 N 4.38 1.30 -1.21 2.71 2.04 -0.27 -3.48 117.51 122.98 3kji h ILE 93 Ca -0.43 -2.53 0.00 0.00 1.00 0.00 0.00 64.86 62.90 3kji h ILE 93 Cb 1.20 3.01 0.00 0.00 -0.74 0.00 0.00 36.82 40.29 3kji h ILE 93 CO 0.72 0.74 0.00 -0.90 0.00 0.00 0.00 178.15 178.71 3kji n ASP 94 N -3.96 0.00 0.09 1.72 5.68 -1.23 -5.00 116.55 113.84 3kji n ASP 94 Ca -0.18 -0.21 0.07 0.00 -0.50 0.00 0.00 54.79 53.97 3kji n ASP 94 Cb 0.91 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 41.26 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 -0.52 0.34 0.00 -1.12 5.75 -1.26 -3.91 116.55 115.84 3kji n ASP 95 Ca 0.00 0.64 0.00 0.00 -0.01 0.00 0.00 54.79 55.42 3kji n ASP 95 Cb 0.00 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.40 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 -1.94 2.32 -3.46 0.11 5.02 -1.26 -4.93 118.16 114.03 3kji n LYS 96 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 3kji n LYS 96 Cb 0.07 -0.76 -0.09 0.00 -0.02 0.00 0.00 35.03 34.23 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 -1.39 5.23 -0.21 -0.18 1.01 -1.25 -0.53 121.20 123.88 3kji s ILE 97 Ca 0.00 0.51 -0.03 0.00 0.00 0.00 0.00 60.65 61.13 3kji s ILE 97 Cb 0.00 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 3kji s ILE 97 CO 0.00 0.23 -0.06 0.12 0.00 0.00 0.00 174.94 175.23 3kji s PHE 98 N 1.59 2.94 -0.20 3.97 2.19 0.03 0.56 117.98 129.05 3kji s PHE 98 Ca 0.14 -0.99 -0.09 0.00 0.33 0.00 0.00 56.93 56.33 3kji s PHE 98 Cb -0.15 -2.08 -0.05 0.00 -1.31 0.00 0.00 43.02 39.43 3kji s PHE 98 CO 0.08 -0.56 0.11 -1.17 1.83 0.00 0.00 175.22 175.51 3kji s LEU 99 N 1.42 4.02 -0.07 6.12 2.96 0.75 -0.18 118.68 133.70 3kji s LEU 99 Ca 0.05 0.14 0.05 0.00 -0.22 0.00 0.00 54.13 54.15 3kji s LEU 99 Cb -0.14 -2.04 -0.00 0.00 0.50 0.00 0.00 46.19 44.51 3kji s LEU 99 CO -0.04 0.15 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.30 3kji s ILE 100 N 0.51 1.81 -0.29 6.68 1.01 -0.51 -2.42 121.20 128.00 3kji s ILE 100 Ca 0.06 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 59.76 3kji s ILE 100 Cb -0.12 -1.56 0.02 0.00 0.01 0.00 0.00 42.46 40.81 3kji s ILE 100 CO 0.00 0.51 0.03 -0.13 0.00 0.00 0.00 174.94 175.35 3kji s ARG 101 N 0.14 2.87 0.10 2.79 0.52 -1.26 -1.20 118.95 122.90 3kji s ARG 101 Ca -0.10 -0.99 -0.31 0.00 -0.52 0.00 0.00 55.73 53.82 3kji s ARG 101 Cb -0.15 -3.24 -0.13 0.00 0.52 0.00 0.00 34.95 31.95 3kji s ARG 101 CO 0.05 -0.48 1.62 0.52 0.02 0.00 0.00 175.30 177.03 3kji h MET 102 N 8.14 -0.67 0.00 3.54 2.86 -1.70 0.53 114.93 127.62 3kji h MET 102 Ca -0.29 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 3kji h MET 102 Cb 1.11 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.92 3kji h MET 102 CO 0.59 -0.45 0.00 0.41 1.06 0.00 0.00 176.91 178.52 3kji n GLY 103 N -1.45 -0.03 3.37 8.32 0.00 -1.26 -2.11 105.19 112.04 3kji n GLY 103 Ca -0.09 -1.88 -0.27 0.00 0.00 0.00 0.00 46.02 43.78 3kji n GLY 103 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kji s GLU 104 N -1.41 1.37 0.07 1.61 2.12 -1.26 -4.82 118.70 116.38 3kji s GLU 104 Ca 0.00 -1.36 -0.21 0.00 0.36 0.00 0.00 54.97 53.76 3kji s GLU 104 Cb 0.00 -1.75 -0.11 0.00 0.26 0.00 0.00 34.13 32.53 3kji s GLU 104 CO 0.00 0.40 1.55 0.82 -0.54 0.00 0.00 175.26 177.49 3kji h ILE 105 N 3.69 1.21 -5.66 -3.70 5.03 -2.00 -3.48 117.51 112.60 3kji h ILE 105 Ca -0.48 -0.67 -0.30 0.00 -0.12 0.00 0.00 64.86 63.28 3kji h ILE 105 Cb 1.18 1.35 0.17 0.00 -3.03 0.00 0.00 36.82 36.50 3kji h ILE 105 CO 0.42 0.20 -0.88 1.17 -0.68 0.00 0.00 178.15 178.39 3kji n LYS 106 N -4.80 -2.12 -3.54 2.37 4.81 -1.26 -4.94 118.16 108.67 3kji n LYS 106 Ca -0.05 0.76 -0.40 0.00 -0.87 0.00 0.00 58.31 57.75 3kji n LYS 106 Cb 0.17 -5.39 -0.11 0.00 0.02 0.00 0.00 35.03 29.73 3kji n LYS 106 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3kji s LYS 107 N -4.85 3.54 0.00 1.64 2.20 -1.26 -4.89 119.74 116.12 3kji s LYS 107 Ca 0.45 -0.61 0.15 0.00 -0.36 0.00 0.00 55.97 55.59 3kji s LYS 107 Cb -0.09 -3.78 -0.00 0.00 -1.51 0.00 0.00 37.83 32.45 3kji s LYS 107 CO 0.77 -0.41 0.80 0.41 -0.36 0.00 0.00 175.35 176.56 3kji n GLY 108 N 5.09 -0.07 3.25 5.54 0.00 -1.26 -4.95 105.19 112.79 3kji n GLY 108 Ca -0.13 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 1.08 2.92 0.15 -0.02 0.00 -1.26 -4.91 105.19 103.15 3kji n GLY 109 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 3kji n GLY 109 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kji h SER 110 N 0.00 -0.52 -2.32 1.61 4.64 -1.97 -3.43 113.55 111.55 3kji h SER 110 Ca 0.00 0.06 -0.49 0.00 -0.47 0.00 0.00 61.79 60.89 3kji h SER 110 Cb 0.00 0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 3kji h SER 110 CO 0.00 -0.16 -0.45 -1.10 -0.87 0.00 0.00 176.83 174.25 3kji s GLN 111 N -3.85 3.40 -0.28 4.77 1.11 -1.26 -5.05 119.66 118.50 3kji s GLN 111 Ca -0.05 -0.73 -0.29 0.00 0.01 0.00 0.00 55.36 54.30 3kji s GLN 111 Cb 0.02 -2.89 -0.00 0.00 -1.01 0.00 0.00 33.01 29.13 3kji s GLN 111 CO 0.19 0.46 1.35 0.00 0.01 0.00 0.00 175.29 177.30 3kji n TYR 113 N 7.72 0.00 0.23 0.00 4.01 -1.26 -4.70 117.16 123.16 3kji n TYR 113 Ca 0.15 -1.08 0.08 0.00 -0.16 0.00 0.00 57.90 56.89 3kji n TYR 113 Cb 0.46 -0.17 0.55 0.00 -0.31 0.00 0.00 39.34 39.87 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 0.00 0.16 -0.14 0.00 9.65 -1.99 -2.44 114.38 119.62 3kji h ARG 115 Ca -0.00 -0.19 0.03 0.00 -1.10 0.00 0.00 59.98 58.72 3kji h ARG 115 Cb 0.48 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.09 3kji h ARG 115 CO 0.03 0.97 -0.06 0.93 2.80 0.00 0.00 179.97 184.64 3kji h GLU 116 N -0.56 -0.04 0.00 0.20 3.07 -1.87 -1.41 114.58 113.98 3kji h GLU 116 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3kji h GLU 116 Cb 1.07 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 3kji h GLU 116 CO 0.05 -0.03 0.00 -0.91 -1.40 0.00 0.00 179.01 176.73 3kji h ASN 117 N -0.04 0.00 0.74 1.42 -0.26 -1.36 -1.84 115.58 114.24 3kji h ASN 117 Ca 0.08 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.56 3kji h ASN 117 Cb 0.15 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.39 3kji h ASN 117 CO -0.17 0.00 -1.29 0.77 -1.06 0.00 0.00 177.43 175.69 3kji h SER 118 N 0.00 0.13 0.00 5.81 4.64 -0.75 -1.98 113.55 121.39 3kji h SER 118 Ca 0.00 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3kji h SER 118 Cb 0.21 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3kji h SER 118 CO 0.00 1.13 -0.00 0.15 -0.87 0.00 0.00 176.83 177.24 3kji h PHE 119 N 0.02 -0.00 0.13 4.77 3.57 -0.89 0.30 116.94 124.85 3kji h PHE 119 Ca -0.13 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 3kji h PHE 119 Cb 1.89 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.63 3kji h PHE 119 CO 0.02 0.51 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.47 3kji h LEU 120 N -0.51 -0.15 -1.80 0.59 -0.00 -1.52 0.42 115.31 112.34 3kji h LEU 120 Ca -0.00 -0.04 0.02 0.00 -0.00 0.00 0.00 57.88 57.86 3kji h LEU 120 Cb 0.51 0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 41.19 3kji h LEU 120 CO 0.00 -0.06 0.18 1.23 -0.00 0.00 0.00 178.44 179.79 3kji h GLY 121 N -0.23 0.30 0.78 0.83 0.00 -1.41 -0.84 103.07 102.51 3kji h GLY 121 Ca -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 3kji h GLY 121 CO 0.03 0.10 -0.29 0.23 0.00 0.00 0.00 176.54 176.60 3kji h SER 122 N 0.27 -0.69 -0.34 0.19 0.87 -0.22 -2.14 113.55 111.49 3kji h SER 122 Ca 0.11 -0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.69 3kji h SER 122 Cb 0.10 0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.20 3kji h SER 122 CO -0.02 -0.35 0.07 0.58 -0.53 0.00 0.00 176.83 176.57 3kji h VAL 123 N -1.05 0.84 -0.71 2.23 2.07 -0.48 -0.24 116.25 118.91 3kji h VAL 123 Ca -0.08 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.44 3kji h VAL 123 Cb 0.68 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 3kji h VAL 123 CO 0.14 0.04 0.39 0.58 0.02 0.00 0.00 177.57 178.73 3kji h VAL 124 N 0.19 0.93 -0.77 2.57 2.07 -1.22 -1.11 116.25 118.92 3kji h VAL 124 Ca 0.16 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.45 3kji h VAL 124 Cb 0.18 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 3kji h VAL 124 CO -0.21 0.13 0.50 -1.28 0.02 0.00 0.00 177.57 176.73 3kji h SER 125 N 0.70 0.90 0.36 0.57 0.87 -0.63 -2.16 113.55 114.16 3kji h SER 125 Ca 0.33 -0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.77 3kji h SER 125 Cb 0.25 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 3kji h SER 125 CO -0.21 0.66 -0.39 0.00 -0.53 0.00 0.00 176.83 176.36 3kji h ALA 126 N 1.28 1.31 -0.08 6.23 0.00 -0.06 -0.37 119.26 127.57 3kji h ALA 126 Ca 0.28 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3kji h ALA 126 Cb -0.11 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.62 3kji h ALA 126 CO -0.06 0.51 -0.42 -0.07 0.00 0.00 0.00 179.25 179.21 3kji h LEU 127 N 0.04 0.51 0.00 0.00 3.38 -0.72 -0.13 115.31 118.39 3kji h LEU 127 Ca 0.00 -0.65 -0.18 0.00 0.09 0.00 0.00 57.88 57.14 3kji h LEU 127 Cb 0.71 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3kji h LEU 127 CO 0.05 1.08 -1.07 -0.26 0.09 0.00 0.00 178.44 178.33 3kji h PHE 128 N -0.02 0.00 0.00 1.13 0.04 -1.41 -3.37 116.94 113.32 3kji h PHE 128 Ca -0.03 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.46 3kji h PHE 128 Cb 1.07 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.17 3kji h PHE 128 CO 0.12 0.72 -2.04 1.28 -0.60 0.00 0.00 178.31 177.79 3kji n LEU 129 N -3.13 0.69 -0.09 1.54 4.77 -0.15 -4.75 117.00 115.88 3kji n LEU 129 Ca -0.05 -0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.76 3kji n LEU 129 Cb 0.87 0.13 -0.08 0.00 -2.33 0.00 0.00 43.42 42.00 3kji n LEU 129 CO 0.44 0.48 -1.13 0.47 -1.33 0.00 0.00 177.39 176.31 3kji n ASP 130 N -2.67 2.22 -4.77 -1.43 8.00 -0.84 -4.99 116.55 112.07 3kji n ASP 130 Ca -0.27 -0.00 -0.41 0.00 0.71 0.00 0.00 54.79 54.83 3kji n ASP 130 Cb 0.96 -0.38 -0.02 0.00 -0.02 0.00 0.00 41.12 41.66 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 -2.37 4.37 0.16 -1.24 -0.14 -0.12 -4.94 119.74 115.46 3kji s LYS 131 Ca -0.26 2.18 0.17 0.00 -1.36 0.00 0.00 55.97 56.71 3kji s LYS 131 Cb 0.08 -3.07 -0.04 0.00 -1.68 0.00 0.00 37.83 33.12 3kji s LYS 131 CO 0.41 -0.16 1.06 0.87 -0.76 0.00 0.00 175.35 176.76 3kji h LYS 132 N 3.39 0.00 -7.06 1.68 1.57 -1.91 -3.46 116.57 110.78 3kji h LYS 132 Ca -0.49 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.74 3kji h LYS 132 Cb 1.23 0.00 0.17 0.00 0.08 0.00 0.00 32.23 33.71 3kji h LYS 132 CO 0.65 0.29 0.30 0.39 -0.57 0.00 0.00 179.45 180.51 3kji n GLU 133 N -2.96 0.65 -1.96 3.15 4.71 -1.26 -4.70 120.64 118.28 3kji n GLU 133 Ca -0.04 0.28 -0.38 0.00 -0.01 0.00 0.00 57.16 57.01 3kji n GLU 133 Cb 0.75 -2.38 0.02 0.00 -1.01 0.00 0.00 31.44 28.83 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 -1.73 2.90 -0.01 0.62 0.00 -1.24 -4.70 121.76 117.59 3kji s ALA 134 Ca 0.77 1.19 0.02 0.00 0.00 0.00 0.00 51.96 53.95 3kji s ALA 134 Cb -0.35 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.27 3kji s ALA 134 CO 0.47 -1.10 -0.08 0.08 0.00 0.00 0.00 175.76 175.13 3kji s VAL 135 N -1.38 0.68 -0.24 0.00 1.01 0.11 -1.82 120.40 118.75 3kji s VAL 135 Ca 0.68 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 3kji s VAL 135 Cb -0.36 -0.59 0.07 0.00 0.00 0.00 0.00 36.38 35.50 3kji s VAL 135 CO 0.43 0.20 0.03 -0.69 0.00 0.00 0.00 175.10 175.08 3kji s VAL 136 N 0.01 0.87 -0.14 2.92 1.01 -0.22 0.09 120.40 124.95 3kji s VAL 136 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.02 3kji s VAL 136 Cb -0.06 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 3kji s VAL 136 CO -0.00 -0.32 -0.14 -0.32 0.00 0.00 0.00 175.10 174.32 3kji s MET 137 N 1.67 3.32 0.14 2.72 1.75 -0.66 -0.97 119.30 127.28 3kji s MET 137 Ca 0.01 -0.71 0.03 0.00 -1.25 0.00 0.00 55.69 53.77 3kji s MET 137 Cb -0.18 -2.62 -0.04 0.00 2.84 0.00 0.00 34.83 34.84 3kji s MET 137 CO -0.12 0.16 0.18 0.16 -0.65 0.00 0.00 175.02 174.75 3kji s ASP 138 N 0.49 5.87 0.22 1.11 -4.77 -0.74 -1.13 116.67 117.71 3kji s ASP 138 Ca -0.10 0.02 -0.22 0.00 -3.30 0.00 0.00 52.55 48.95 3kji s ASP 138 Cb -0.16 -1.65 0.04 0.00 -1.09 0.00 0.00 42.92 40.06 3kji s ASP 138 CO 0.04 0.09 0.76 0.00 0.70 0.00 0.00 175.17 176.76 3kji s MET 139 N -3.00 1.55 1.06 2.11 0.23 -0.11 -1.32 119.30 119.83 3kji s MET 139 Ca 0.32 -0.82 -0.15 0.00 -1.03 0.00 0.00 55.69 54.02 3kji s MET 139 Cb -0.11 0.55 0.22 0.00 -1.53 0.00 0.00 34.83 33.97 3kji s MET 139 CO 0.25 -0.71 1.11 0.20 -2.03 0.00 0.00 175.02 173.85 3kji s GLY 140 N -2.88 1.58 0.11 3.16 0.00 -1.26 -2.46 107.32 105.56 3kji s GLY 140 Ca 0.10 -0.64 0.11 0.00 0.00 0.00 0.00 44.72 44.29 3kji s GLY 140 CO 0.02 0.08 1.35 0.00 0.00 0.00 0.00 173.10 174.55 3kji n ALA 141 N -4.33 1.24 0.19 3.20 0.00 -1.03 -1.89 120.51 117.88 3kji n ALA 141 Ca 0.08 0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.67 3kji n ALA 141 Cb 0.58 -1.17 0.12 0.00 0.00 0.00 0.00 19.45 18.98 3kji n ALA 141 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kji h GLY 142 N 0.84 0.00 -6.61 0.00 0.00 -1.90 -3.42 103.07 91.98 3kji h GLY 142 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 3kji h GLY 142 CO 0.00 0.00 -0.90 0.29 0.00 0.00 0.00 176.54 175.93 3kji n ILE 143 N -3.09 -2.61 0.19 2.60 -5.35 -0.79 -4.91 119.36 105.40 3kji n ILE 143 Ca 0.03 -0.47 0.07 0.00 -0.27 0.00 0.00 62.75 62.11 3kji n ILE 143 Cb 0.58 -2.32 0.19 0.00 -1.74 0.00 0.00 39.64 36.34 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 -1.81 0.00 0.00 6.28 3.07 -1.93 -3.00 114.58 117.19 3kji h GLU 144 Ca -0.63 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.22 3kji h GLU 144 Cb 1.38 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.29 3kji h GLU 144 CO 0.65 0.28 -0.03 0.45 -1.40 0.00 0.00 179.01 178.96 3kji h HIS 145 N 0.00 0.00 -3.56 4.33 3.86 -1.94 -3.42 115.15 114.41 3kji h HIS 145 Ca -0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 3kji h HIS 145 Cb 1.10 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.54 3kji h HIS 145 CO 0.00 0.03 0.19 -0.51 0.86 0.00 0.00 177.93 178.50 3kji s LEU 146 N -6.38 4.55 0.00 2.43 1.43 -1.14 -4.97 118.68 114.60 3kji s LEU 146 Ca -0.02 1.64 0.00 0.00 -1.03 0.00 0.00 54.13 54.73 3kji s LEU 146 Cb 0.11 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.93 3kji s LEU 146 CO 0.51 0.17 0.00 0.35 0.23 0.00 0.00 176.35 177.60 3kji n THR 147 N 1.40 0.00 -0.09 5.49 -2.24 -1.26 -5.03 114.28 112.56 3kji n THR 147 Ca -0.05 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.61 3kji n THR 147 Cb 0.49 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 3kji n THR 147 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3kji n ARG 148 N 0.00 0.50 0.00 -0.78 0.00 -1.26 -3.50 116.66 111.62 3kji n ARG 148 Ca 0.00 0.54 0.08 0.00 -0.00 0.00 0.00 57.85 58.47 3kji n ARG 148 Cb 0.00 -1.71 0.46 0.00 -0.00 0.00 0.00 32.46 31.21 3kji n ARG 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kji n GLY 149 N 1.53 -0.74 0.03 2.89 0.00 -1.26 -2.96 105.19 104.69 3kji n GLY 149 Ca -0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 3kji n GLY 149 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kji n THR 150 N -1.18 0.45 0.20 2.61 -2.24 -1.26 -4.60 114.28 108.26 3kji n THR 150 Ca 0.10 -0.38 0.13 0.00 -2.27 0.00 0.00 64.05 61.63 3kji n THR 150 Cb 0.11 -0.36 0.72 0.00 -2.10 0.00 0.00 70.33 68.70 3kji n THR 150 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kji h ALA 151 N 0.72 2.02 0.00 6.98 0.00 -1.57 0.19 119.26 127.60 3kji h ALA 151 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3kji h ALA 151 Cb 1.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3kji h ALA 151 CO 0.01 -0.20 0.00 1.57 0.00 0.00 0.00 179.25 180.63 3kji h LYS 152 N 0.00 0.00 0.00 0.00 2.10 -1.75 -3.11 116.57 113.80 3kji h LYS 152 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 3kji h LYS 152 Cb 0.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 3kji h LYS 152 CO -0.00 0.00 -0.56 0.00 -2.00 0.00 0.00 179.45 176.89 3kji n ALA 153 N -2.07 3.04 -2.58 0.07 0.00 0.02 -4.80 120.51 114.18 3kji n ALA 153 Ca 0.04 -0.26 -0.43 0.00 0.00 0.00 0.00 53.44 52.79 3kji n ALA 153 Cb 0.52 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 3kji n ALA 153 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kji s VAL 154 N -3.12 4.53 0.12 0.00 1.01 -0.97 -4.63 120.40 117.35 3kji s VAL 154 Ca 0.08 1.84 -0.11 0.00 0.00 0.00 0.00 61.98 63.79 3kji s VAL 154 Cb 0.15 -4.23 -0.11 0.00 0.00 0.00 0.00 36.38 32.19 3kji s VAL 154 CO 0.70 -0.21 1.38 0.44 0.00 0.00 0.00 175.10 177.42 3kji h ASP 155 N 7.79 0.94 -3.94 3.32 3.32 -0.50 -3.43 116.42 123.91 3kji h ASP 155 Ca -0.21 -0.54 -0.04 0.00 0.02 0.00 0.00 57.03 56.26 3kji h ASP 155 Cb 1.07 -0.27 -0.21 0.00 0.22 0.00 0.00 39.33 40.14 3kji h ASP 155 CO 0.98 1.34 0.11 -0.32 -1.72 0.00 0.00 179.24 179.63 3kji s MET 156 N -4.01 0.82 -0.25 3.56 1.75 -1.10 -4.38 119.30 115.69 3kji s MET 156 Ca -0.10 1.00 -0.09 0.00 -1.25 0.00 0.00 55.69 55.25 3kji s MET 156 Cb 0.10 0.39 -0.04 0.00 2.84 0.00 0.00 34.83 38.12 3kji s MET 156 CO 0.89 -0.10 0.12 1.41 -0.65 0.00 0.00 175.02 176.69 3kji s MET 157 N 0.45 3.80 -0.28 4.11 1.75 -0.35 -1.59 119.30 127.19 3kji s MET 157 Ca -0.01 -0.40 -0.08 0.00 -1.25 0.00 0.00 55.69 53.95 3kji s MET 157 Cb -0.05 -3.45 -0.01 0.00 2.84 0.00 0.00 34.83 34.16 3kji s MET 157 CO -0.00 -0.14 0.10 0.42 -0.65 0.00 0.00 175.02 174.75 3kji s ILE 158 N 1.54 4.31 -0.26 10.11 1.01 0.15 -1.18 121.20 136.89 3kji s ILE 158 Ca 0.06 -0.41 -0.13 0.00 0.00 0.00 0.00 60.65 60.17 3kji s ILE 158 Cb -0.15 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 3kji s ILE 158 CO 0.06 0.17 0.30 0.00 0.00 0.00 0.00 174.94 175.47 3kji s ALA 159 N 1.58 3.56 -0.27 9.38 0.00 0.29 -1.19 121.76 135.11 3kji s ALA 159 Ca 0.05 -0.86 -0.14 0.00 0.00 0.00 0.00 51.96 51.01 3kji s ALA 159 Cb -0.16 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 3kji s ALA 159 CO 0.04 -0.53 0.32 0.08 0.00 0.00 0.00 175.76 175.68 3kji s VAL 160 N 1.77 5.21 0.23 0.00 1.01 -0.35 -1.87 120.40 126.40 3kji s VAL 160 Ca 0.13 0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.58 3kji s VAL 160 Cb -0.15 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 3kji s VAL 160 CO 0.09 0.19 0.07 0.27 0.00 0.00 0.00 175.10 175.72 3kji s ILE 161 N 1.95 0.53 0.18 2.22 -4.36 -0.95 -4.56 121.20 116.22 3kji s ILE 161 Ca 0.13 -1.99 0.07 0.00 -0.26 0.00 0.00 60.65 58.59 3kji s ILE 161 Cb -0.16 -2.47 -0.04 0.00 1.25 0.00 0.00 42.46 41.04 3kji s ILE 161 CO 0.10 -0.14 0.06 -1.61 0.24 0.00 0.00 174.94 173.59 3kji s GLU 162 N -4.01 2.60 -1.16 0.37 2.02 -1.26 -0.91 118.70 116.34 3kji s GLU 162 Ca 0.34 -1.05 -0.07 0.00 0.02 0.00 0.00 54.97 54.21 3kji s GLU 162 Cb 0.07 -2.45 -0.07 0.00 0.10 0.00 0.00 34.13 31.78 3kji s GLU 162 CO 0.11 0.45 2.47 -0.35 0.02 0.00 0.00 175.26 177.96 3kji n PRO 163 N -0.34 2.69 -4.02 0.39 -0.04 -1.26 -4.06 135.00 128.36 3kji n PRO 163 Ca -0.09 -1.72 -0.10 0.00 -0.04 0.00 0.00 63.50 61.56 3kji n PRO 163 Cb 0.55 -2.56 -0.11 0.00 -0.04 0.00 0.00 33.50 31.34 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 2.88 0.44 0.24 3.54 4.22 -1.26 -4.87 114.94 120.14 3kji s ASN 164 Ca 0.52 -0.61 -0.04 0.00 -2.14 0.00 0.00 52.86 50.58 3kji s ASN 164 Cb 0.14 0.10 0.45 0.00 1.28 0.00 0.00 41.25 43.22 3kji s ASN 164 CO -0.04 -0.34 1.73 -0.07 -2.04 0.00 0.00 177.10 176.34 3kji h LEU 165 N 4.30 0.30 0.41 3.54 -0.00 -1.99 -0.29 115.31 121.58 3kji h LEU 165 Ca -0.33 0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 57.64 3kji h LEU 165 Cb 1.20 0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.92 3kji h LEU 165 CO 0.46 0.12 -0.29 0.78 -0.00 0.00 0.00 178.44 179.51 3kji h ASN 166 N 0.46 -0.73 -0.81 -0.43 2.35 -1.97 -1.95 115.58 112.49 3kji h ASN 166 Ca 0.41 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 56.22 3kji h ASN 166 Cb 0.61 0.23 -0.04 0.00 0.05 0.00 0.00 38.32 39.17 3kji h ASN 166 CO -0.39 -0.44 0.54 -1.28 -1.65 0.00 0.00 177.43 174.20 3kji h SER 167 N -0.68 0.92 -0.79 5.81 0.87 -1.72 -1.72 113.55 116.25 3kji h SER 167 Ca -0.04 -0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.56 3kji h SER 167 Cb 0.58 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 62.26 3kji h SER 167 CO 0.02 0.66 0.52 0.40 -0.53 0.00 0.00 176.83 177.90 3kji h ILE 168 N 1.09 1.05 -0.40 2.23 2.04 -0.90 0.71 117.51 123.32 3kji h ILE 168 Ca 0.30 -0.30 -0.12 0.00 1.00 0.00 0.00 64.86 65.74 3kji h ILE 168 Cb -0.11 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.06 3kji h ILE 168 CO -0.07 0.16 -0.23 0.50 0.00 0.00 0.00 178.15 178.51 3kji h LYS 169 N 0.87 0.81 -0.58 2.37 3.64 -0.54 -1.52 116.57 121.63 3kji h LYS 169 Ca 0.34 -0.34 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3kji h LYS 169 Cb 0.20 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3kji h LYS 169 CO -0.11 0.96 0.19 1.15 -2.27 0.00 0.00 179.45 179.37 3kji h THR 170 N 0.71 1.24 0.07 1.00 2.02 -0.34 -1.29 112.91 116.32 3kji h THR 170 Ca 0.09 -0.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 3kji h THR 170 Cb 0.76 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 3kji h THR 170 CO 0.06 0.30 -0.04 1.23 0.37 0.00 0.00 175.52 177.45 3kji h GLY 171 N 0.82 -0.11 0.83 2.16 0.00 -0.66 -1.81 103.07 104.29 3kji h GLY 171 Ca 0.19 0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.65 3kji h GLY 171 CO -0.01 -0.04 0.53 1.41 0.00 0.00 0.00 176.54 178.43 3kji h LEU 172 N -0.10 0.69 -1.04 3.11 3.38 -1.02 -0.20 115.31 120.14 3kji h LEU 172 Ca -0.01 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3kji h LEU 172 Cb 0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3kji h LEU 172 CO 0.01 0.42 -0.44 -1.13 0.09 0.00 0.00 178.44 177.39 3kji h ASN 173 N 0.77 0.09 -0.37 -0.43 -1.24 -0.73 -0.85 115.58 112.81 3kji h ASN 173 Ca 0.37 -0.04 -0.16 0.00 0.71 0.00 0.00 56.30 57.19 3kji h ASN 173 Cb 0.42 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 3kji h ASN 173 CO -0.14 0.52 -0.37 0.40 -1.29 0.00 0.00 177.43 176.54 3kji h ILE 174 N 0.07 1.27 -0.31 2.57 2.04 -0.25 -1.38 117.51 121.52 3kji h ILE 174 Ca 0.00 -1.55 -0.04 0.00 1.00 0.00 0.00 64.86 64.27 3kji h ILE 174 Cb 0.81 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 3kji h ILE 174 CO 0.06 0.52 0.01 -0.08 0.00 0.00 0.00 178.15 178.66 3kji h GLU 175 N 0.76 0.46 0.41 2.37 4.81 -0.74 0.12 114.58 122.78 3kji h GLU 175 Ca 0.06 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3kji h GLU 175 Cb 0.96 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.27 3kji h GLU 175 CO 0.09 0.49 -0.20 -0.22 -0.73 0.00 0.00 179.01 178.44 3kji h LYS 176 N 0.45 -0.53 -0.85 1.92 3.11 -0.73 -1.04 116.57 118.89 3kji h LYS 176 Ca 0.10 0.04 0.18 0.00 -2.81 0.00 0.00 60.65 58.16 3kji h LYS 176 Cb 0.29 0.12 -0.06 0.00 -1.00 0.00 0.00 32.23 31.58 3kji h LYS 176 CO 0.01 -0.35 0.56 -0.07 -2.81 0.00 0.00 179.45 176.79 3kji h LEU 177 N -0.67 0.40 0.06 5.20 3.38 -1.16 0.35 115.31 122.87 3kji h LEU 177 Ca -0.06 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kji h LEU 177 Cb 0.42 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3kji h LEU 177 CO 0.09 0.18 -0.03 0.00 0.09 0.00 0.00 178.44 178.77 3kji h ALA 178 N 1.62 -0.09 -0.28 1.53 0.00 -0.70 -3.12 119.26 118.22 3kji h ALA 178 Ca 0.43 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3kji h ALA 178 Cb 1.04 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3kji h ALA 178 CO -0.15 -0.35 0.07 0.78 0.00 0.00 0.00 179.25 179.60 3kji h GLY 179 N -0.48 0.49 -0.12 0.00 0.00 -0.37 -0.70 103.07 101.87 3kji h GLY 179 Ca -0.01 -0.30 0.30 0.00 0.00 0.00 0.00 47.33 47.31 3kji h GLY 179 CO 0.01 0.28 0.74 -0.55 0.00 0.00 0.00 176.54 177.03 3kji h ASP 180 N 0.29 0.12 -0.68 0.19 3.45 -1.01 0.79 116.42 119.57 3kji h ASP 180 Ca 0.09 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.57 3kji h ASP 180 Cb 0.28 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.05 3kji h ASP 180 CO 0.00 0.03 0.00 0.00 -1.57 0.00 0.00 179.24 177.70 3kji n LEU 181 N -4.32 4.46 -0.04 1.55 -0.00 -1.15 -4.95 117.00 112.54 3kji n LEU 181 Ca 0.23 -2.25 0.00 0.00 -0.00 0.00 0.00 56.01 54.00 3kji n LEU 181 Cb 1.06 -0.55 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 3kji n LEU 181 CO 0.36 0.87 0.00 0.61 -0.00 0.00 0.00 177.39 179.23 3kji n GLY 182 N 1.34 0.75 3.53 1.47 0.00 0.27 -4.70 105.19 107.86 3kji n GLY 182 Ca 0.25 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.09 4.81 0.00 -0.61 1.01 -0.28 -4.32 121.20 119.73 3kji s ILE 183 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.89 3kji s ILE 183 Cb 0.00 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.27 3kji s ILE 183 CO 0.00 -0.56 0.98 0.29 0.00 0.00 0.00 174.94 175.65 3kji n LYS 184 N 6.29 0.00 -3.81 2.79 5.02 -1.26 -4.29 118.16 122.89 3kji n LYS 184 Ca -0.01 0.77 -0.35 0.00 -2.02 0.00 0.00 58.31 56.70 3kji n LYS 184 Cb 0.48 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.92 3kji n LYS 184 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3kji s LYS 185 N -2.91 4.08 -0.13 1.97 1.02 -1.26 -5.02 119.74 117.48 3kji s LYS 185 Ca 0.00 -0.28 -0.00 0.00 0.02 0.00 0.00 55.97 55.71 3kji s LYS 185 Cb 0.00 -3.37 0.03 0.00 -0.52 0.00 0.00 37.83 33.96 3kji s LYS 185 CO 0.00 0.22 -0.10 0.08 -0.92 0.00 0.00 175.35 174.64 3kji s VAL 186 N 0.55 1.26 0.26 3.17 1.01 -1.26 -1.21 120.40 124.18 3kji s VAL 186 Ca 0.06 -0.47 0.09 0.00 0.00 0.00 0.00 61.98 61.66 3kji s VAL 186 Cb -0.12 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 3kji s VAL 186 CO 0.00 0.37 -0.15 -0.13 0.00 0.00 0.00 175.10 175.20 3kji s ARG 187 N 1.61 1.54 0.16 2.72 1.81 -0.32 -4.95 118.95 121.51 3kji s ARG 187 Ca 0.04 -1.72 0.06 0.00 -1.72 0.00 0.00 55.73 52.40 3kji s ARG 187 Cb -0.13 -1.41 -0.04 0.00 -0.45 0.00 0.00 34.95 32.92 3kji s ARG 187 CO -0.09 0.21 0.03 0.71 -0.68 0.00 0.00 175.30 175.48 3kji s TYR 188 N -2.78 2.93 -0.16 -0.53 2.02 0.37 -0.55 117.35 118.65 3kji s TYR 188 Ca 0.27 -0.10 -0.02 0.00 -0.37 0.00 0.00 57.07 56.85 3kji s TYR 188 Cb -0.01 -1.43 0.05 0.00 -0.40 0.00 0.00 41.96 40.17 3kji s TYR 188 CO 0.11 0.51 0.02 0.08 -1.57 0.00 0.00 175.55 174.71 3kji s VAL 189 N -1.69 0.50 -0.31 0.71 1.01 -0.78 -0.53 120.40 119.30 3kji s VAL 189 Ca 0.28 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.66 3kji s VAL 189 Cb -0.10 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.37 3kji s VAL 189 CO 0.20 -0.08 0.71 -0.63 0.00 0.00 0.00 175.10 175.29 3kji s ILE 190 N 1.88 4.86 0.19 2.22 -1.09 -0.94 -2.23 121.20 126.09 3kji s ILE 190 Ca 0.01 0.98 0.06 0.00 -2.23 0.00 0.00 60.65 59.47 3kji s ILE 190 Cb -0.16 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.60 3kji s ILE 190 CO -0.07 -0.22 0.11 0.21 -1.23 0.00 0.00 174.94 173.74 3kji s ASN 191 N 1.65 5.28 -1.31 3.58 3.04 -0.09 -0.79 114.94 126.31 3kji s ASN 191 Ca 0.29 -0.25 -0.07 0.00 0.04 0.00 0.00 52.86 52.86 3kji s ASN 191 Cb -0.14 -1.30 0.01 0.00 -1.54 0.00 0.00 41.25 38.28 3kji s ASN 191 CO 0.13 0.05 0.95 0.29 -3.04 0.00 0.00 177.10 175.48 3kji n LYS 192 N -0.50 -6.62 -2.22 0.43 5.02 -0.34 -4.38 118.16 109.54 3kji n LYS 192 Ca -0.08 0.79 -0.42 0.00 -2.02 0.00 0.00 58.31 56.57 3kji n LYS 192 Cb 0.56 -5.61 -0.03 0.00 -0.02 0.00 0.00 35.03 29.93 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 -3.25 3.76 -0.18 -0.18 1.01 -1.12 -4.25 120.40 116.20 3kji s VAL 193 Ca 0.47 1.09 0.16 0.00 0.00 0.00 0.00 61.98 63.71 3kji s VAL 193 Cb -0.21 -3.70 -0.23 0.00 0.00 0.00 0.00 36.38 32.24 3kji s VAL 193 CO 0.58 -0.03 0.07 0.54 0.00 0.00 0.00 175.10 176.27 3kji n ARG 194 N 5.76 0.99 -4.00 2.72 1.74 -1.26 -0.47 116.66 122.14 3kji n ARG 194 Ca 0.14 -0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 57.11 3kji n ARG 194 Cb 0.44 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.35 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 -5.22 -0.06 0.24 0.55 4.22 -1.26 -4.99 114.94 108.41 3kji s ASN 195 Ca -0.09 -0.95 -0.05 0.00 -2.14 0.00 0.00 52.86 49.64 3kji s ASN 195 Cb 0.06 0.54 0.25 0.00 1.28 0.00 0.00 41.25 43.38 3kji s ASN 195 CO 0.75 -1.07 1.74 0.40 -2.04 0.00 0.00 177.10 176.88 3kji h ILE 196 N 2.33 1.25 -0.65 0.54 2.04 -2.00 -2.69 117.51 118.34 3kji h ILE 196 Ca -0.28 -0.99 0.11 0.00 1.00 0.00 0.00 64.86 64.70 3kji h ILE 196 Cb 1.25 0.73 -0.08 0.00 -0.74 0.00 0.00 36.82 37.98 3kji h ILE 196 CO 0.39 0.36 0.22 0.50 0.00 0.00 0.00 178.15 179.62 3kji h LYS 197 N 0.88 0.37 -0.48 2.37 3.64 -2.00 0.33 116.57 121.67 3kji h LYS 197 Ca 0.18 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3kji h LYS 197 Cb 0.42 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 3kji h LYS 197 CO 0.01 0.24 0.32 0.93 -2.27 0.00 0.00 179.45 178.69 3kji h GLU 198 N 0.38 0.57 -0.02 1.90 5.08 -1.82 -0.87 114.58 119.81 3kji h GLU 198 Ca 0.34 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.60 3kji h GLU 198 Cb 0.47 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3kji h GLU 198 CO -0.36 0.37 -0.29 0.93 -1.00 0.00 0.00 179.01 178.66 3kji h GLU 199 N 0.58 0.03 -0.03 2.33 5.08 -0.28 -1.79 114.58 120.50 3kji h GLU 199 Ca 0.19 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.39 3kji h GLU 199 Cb 0.04 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.30 3kji h GLU 199 CO -0.05 0.32 -0.57 0.87 -1.00 0.00 0.00 179.01 178.58 3kji h LYS 200 N 0.03 0.44 -0.67 2.33 1.57 -0.37 -2.55 116.57 117.34 3kji h LYS 200 Ca 0.00 -0.43 0.10 0.00 -1.87 0.00 0.00 60.65 58.45 3kji h LYS 200 Cb 0.53 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.92 3kji h LYS 200 CO 0.04 1.09 0.44 1.25 -0.57 0.00 0.00 179.45 181.70 3kji h LEU 201 N -0.05 0.45 0.24 2.94 5.85 -0.96 -1.60 115.31 122.19 3kji h LEU 201 Ca -0.06 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3kji h LEU 201 Cb 1.27 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3kji h LEU 201 CO 0.11 0.27 -0.12 0.40 -0.34 0.00 0.00 178.44 178.77 3kji h ILE 202 N 0.50 0.72 -0.17 4.05 1.08 -1.27 -3.04 117.51 119.37 3kji h ILE 202 Ca 0.31 -0.87 0.05 0.00 -0.39 0.00 0.00 64.86 63.96 3kji h ILE 202 Cb 0.54 1.14 -0.01 0.00 -3.07 0.00 0.00 36.82 35.42 3kji h ILE 202 CO -0.10 0.16 0.23 0.11 -0.69 0.00 0.00 178.15 177.86 3kji h LYS 203 N -0.84 0.00 0.00 2.37 1.57 -1.05 -1.36 116.57 117.26 3kji h LYS 203 Ca -0.03 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 3kji h LYS 203 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3kji h LYS 203 CO 0.05 0.00 -0.75 -0.22 -0.57 0.00 0.00 179.45 177.97 3kji h LYS 204 N 0.00 0.00 -0.04 3.15 3.11 -1.30 -3.35 116.57 118.14 3kji h LYS 204 Ca 0.08 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.92 3kji h LYS 204 Cb 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.76 3kji h LYS 204 CO -0.00 0.24 0.00 0.72 -2.81 0.00 0.00 179.45 177.59 3kji n HIS 205 N -2.99 0.04 -3.78 1.91 8.25 -0.61 -4.99 115.22 113.04 3kji n HIS 205 Ca -0.01 -0.03 -0.13 0.00 -0.26 0.00 0.00 57.72 57.29 3kji n HIS 205 Cb 0.68 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.68 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 -1.09 1.00 0.20 2.41 1.43 -0.64 -5.09 118.68 116.90 3kji s LEU 206 Ca 0.16 0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 53.45 3kji s LEU 206 Cb 0.11 0.91 -0.08 0.00 0.03 0.00 0.00 46.19 47.16 3kji s LEU 206 CO 0.17 -0.11 1.15 -2.16 0.23 0.00 0.00 176.35 175.62 3kji s PRO 207 N 0.03 4.55 0.47 1.29 0.04 -1.26 -4.54 135.00 135.57 3kji s PRO 207 Ca -0.01 1.82 0.27 0.00 0.04 0.00 0.00 61.00 63.11 3kji s PRO 207 Cb -0.02 -3.24 1.31 0.00 0.04 0.00 0.00 34.50 32.58 3kji s PRO 207 CO 0.01 0.01 1.79 1.49 0.04 0.00 0.00 177.00 180.34 3kji h GLU 208 N 4.97 0.20 -0.00 4.56 4.57 -1.95 0.86 114.58 127.78 3kji h GLU 208 Ca -0.45 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 3kji h GLU 208 Cb 1.21 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 3kji h GLU 208 CO 0.73 0.13 -0.04 -0.40 -1.18 0.00 0.00 179.01 178.24 3kji n ASP 209 N -4.43 0.19 0.00 1.04 5.75 -1.26 -3.11 116.55 114.73 3kji n ASP 209 Ca 0.25 -0.40 0.11 0.00 -0.01 0.00 0.00 54.79 54.74 3kji n ASP 209 Cb 1.03 -0.17 -0.06 0.00 -1.03 0.00 0.00 41.12 40.88 3kji n ASP 209 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kji n LYS 210 N -1.13 0.10 -3.42 0.11 4.01 0.29 -4.88 118.16 113.25 3kji n LYS 210 Ca 0.15 -0.02 -0.39 0.00 -0.51 0.00 0.00 58.31 57.54 3kji n LYS 210 Cb 0.24 -1.51 -0.09 0.00 -0.51 0.00 0.00 35.03 33.16 3kji n LYS 210 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3kji s ILE 211 N -3.08 5.19 0.17 -0.18 1.01 -1.18 -0.48 121.20 122.65 3kji s ILE 211 Ca 0.06 0.37 -0.03 0.00 0.00 0.00 0.00 60.65 61.05 3kji s ILE 211 Cb 0.16 -3.71 -0.11 0.00 0.01 0.00 0.00 42.46 38.81 3kji s ILE 211 CO 0.84 0.10 1.42 -0.07 0.00 0.00 0.00 174.94 177.23 3kji h LEU 212 N 8.61 0.54 0.00 2.97 4.07 -1.12 -3.47 115.31 126.91 3kji h LEU 212 Ca -0.32 -0.35 0.00 0.00 0.08 0.00 0.00 57.88 57.29 3kji h LEU 212 Cb 1.16 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.74 3kji h LEU 212 CO 0.64 1.10 0.00 0.61 -1.08 0.00 0.00 178.44 179.71 3kji n GLY 213 N 0.58 -1.73 3.16 0.83 0.00 -1.24 -4.51 105.19 102.29 3kji n GLY 213 Ca -0.05 -1.13 -0.23 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.57 1.27 -0.17 -0.61 1.01 -1.26 -2.22 121.20 116.64 3kji s ILE 214 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.79 3kji s ILE 214 Cb 0.00 -1.09 0.04 0.00 0.01 0.00 0.00 42.46 41.41 3kji s ILE 214 CO 0.00 0.21 -0.10 -0.63 0.00 0.00 0.00 174.94 174.42 3kji s ILE 215 N -0.59 1.46 0.69 2.92 1.01 0.03 -4.78 121.20 121.94 3kji s ILE 215 Ca 0.05 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 3kji s ILE 215 Cb -0.07 -1.51 0.01 0.00 0.01 0.00 0.00 42.46 40.89 3kji s ILE 215 CO 0.00 0.25 1.06 -2.16 0.00 0.00 0.00 174.94 174.09 3kji s PRO 216 N 1.49 2.96 0.22 2.79 0.04 -1.26 -1.20 135.00 140.04 3kji s PRO 216 Ca 0.01 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 61.65 3kji s PRO 216 Cb -0.15 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 3kji s PRO 216 CO -0.09 -1.07 1.46 -0.47 0.04 0.00 0.00 177.00 176.87 3kji s TYR 217 N -3.07 3.06 -0.10 0.56 5.04 0.38 -4.36 117.35 118.85 3kji s TYR 217 Ca 0.58 0.95 -0.04 0.00 -2.44 0.00 0.00 57.07 56.12 3kji s TYR 217 Cb -0.14 -3.82 0.05 0.00 0.35 0.00 0.00 41.96 38.41 3kji s TYR 217 CO 0.55 -2.77 0.18 1.21 -1.34 0.00 0.00 175.55 173.38 3kji s ASN 218 N 0.58 0.82 0.67 4.32 3.84 -1.26 -4.91 114.94 118.99 3kji s ASN 218 Ca 0.62 0.28 0.35 0.00 0.21 0.00 0.00 52.86 54.32 3kji s ASN 218 Cb -0.42 0.32 1.90 0.00 -0.55 0.00 0.00 41.25 42.50 3kji s ASN 218 CO 0.40 -0.26 2.07 -0.08 -2.79 0.00 0.00 177.10 176.44 3kji h GLU 219 N 8.35 0.00 0.12 0.43 4.57 -2.02 -2.55 114.58 123.48 3kji h GLU 219 Ca -0.14 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.06 3kji h GLU 219 Cb 1.12 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.67 3kji h GLU 219 CO 0.16 0.00 -0.30 1.25 -1.18 0.00 0.00 179.01 178.94 3kji h LEU 220 N 0.00 -0.86 -1.38 1.64 5.85 -2.00 -2.06 115.31 116.50 3kji h LEU 220 Ca 0.00 0.10 0.30 0.00 0.84 0.00 0.00 57.88 59.12 3kji h LEU 220 Cb 0.45 0.33 -0.10 0.00 0.37 0.00 0.00 40.66 41.70 3kji h LEU 220 CO 0.00 -0.39 0.70 -0.26 -0.34 0.00 0.00 178.44 178.15 3kji h PHE 221 N -0.52 0.62 0.01 1.25 -1.00 -1.83 -0.85 116.94 114.61 3kji h PHE 221 Ca 0.03 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.83 3kji h PHE 221 Cb 0.55 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 39.94 3kji h PHE 221 CO -0.27 0.01 -0.00 0.82 -1.61 0.00 0.00 178.31 177.25 3kji h ILE 222 N 0.33 1.42 -0.21 -0.55 2.04 -1.54 -2.34 117.51 116.65 3kji h ILE 222 Ca 0.64 -1.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.14 3kji h ILE 222 Cb 1.72 2.29 -0.00 0.00 -0.74 0.00 0.00 36.82 40.08 3kji h ILE 222 CO -0.32 0.33 -0.15 1.05 0.00 0.00 0.00 178.15 179.06 3kji h GLU 223 N -0.56 0.48 -0.48 2.37 4.11 -0.93 -1.76 114.58 117.81 3kji h GLU 223 Ca -0.00 -0.23 0.03 0.00 0.07 0.00 0.00 59.36 59.23 3kji h GLU 223 Cb 0.55 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 3kji h GLU 223 CO 0.00 0.79 0.27 -0.07 0.07 0.00 0.00 179.01 180.07 3kji h LEU 224 N 0.17 0.42 0.34 3.06 4.07 -1.32 -2.73 115.31 119.31 3kji h LEU 224 Ca 0.04 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 3kji h LEU 224 Cb 0.67 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.31 3kji h LEU 224 CO 0.04 0.30 -0.45 -1.28 -1.08 0.00 0.00 178.44 175.97 3kji h SER 225 N 0.53 -1.26 -0.03 -0.43 0.87 -1.35 -2.74 113.55 109.15 3kji h SER 225 Ca 0.20 0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.88 3kji h SER 225 Cb 0.05 0.44 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 3kji h SER 225 CO -0.11 -0.57 0.05 0.25 -0.53 0.00 0.00 176.83 175.92 3kji h LEU 226 N -0.83 0.00 -2.86 2.23 7.12 -1.19 -2.44 115.31 117.34 3kji h LEU 226 Ca -0.03 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.98 3kji h LEU 226 Cb 0.77 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.90 3kji h LEU 226 CO -0.13 0.00 0.00 2.29 -0.13 0.00 0.00 178.44 180.47 3kji n LYS 227 N -3.53 2.93 0.00 1.25 2.85 -1.04 -4.97 118.16 115.65 3kji n LYS 227 Ca -0.02 -2.56 0.00 0.00 -1.05 0.00 0.00 58.31 54.68 3kji n LYS 227 Cb 0.13 -1.56 0.00 0.00 -0.65 0.00 0.00 35.03 32.96 3kji n LYS 227 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3kji n GLY 228 N 1.24 2.98 3.71 2.58 0.00 -0.92 -5.01 105.19 109.77 3kji n GLY 228 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.03 1.79 0.47 1.61 2.02 -1.06 -4.92 118.70 118.59 3kji s GLU 229 Ca 0.00 1.68 -0.21 0.00 0.02 0.00 0.00 54.97 56.46 3kji s GLU 229 Cb 0.00 -1.80 -0.09 0.00 0.10 0.00 0.00 34.13 32.34 3kji s GLU 229 CO 0.00 -2.08 1.03 -2.00 0.02 0.00 0.00 175.26 172.23 3kji s GLU 230 N -4.18 3.89 -0.16 1.61 2.12 -1.26 -4.38 118.70 116.34 3kji s GLU 230 Ca 0.72 1.37 -0.18 0.00 0.36 0.00 0.00 54.97 57.24 3kji s GLU 230 Cb -0.27 -2.17 -0.23 0.00 0.26 0.00 0.00 34.13 31.72 3kji s GLU 230 CO 0.50 -0.36 0.38 -0.84 -0.54 0.00 0.00 175.26 174.40 3kji h ILE 231 N 1.69 0.96 -3.62 -3.70 3.07 -1.90 -3.46 117.51 110.54 3kji h ILE 231 Ca -0.49 -2.29 -0.60 0.00 1.55 0.00 0.00 64.86 63.03 3kji h ILE 231 Cb 1.22 2.50 -0.11 0.00 -0.27 0.00 0.00 36.82 40.17 3kji h ILE 231 CO 0.60 0.56 0.55 0.26 -1.05 0.00 0.00 178.15 179.06 3kji s TRP 232 N -2.42 2.97 -0.05 0.16 0.52 -1.26 -4.80 118.94 114.05 3kji s TRP 232 Ca -0.24 0.44 -0.17 0.00 0.02 0.00 0.00 56.10 56.15 3kji s TRP 232 Cb 0.05 -3.85 0.03 0.00 -1.15 0.00 0.00 33.47 28.55 3kji s TRP 232 CO 0.68 -1.02 0.38 -0.65 0.02 0.00 0.00 176.95 176.36 3kji s GLN 233 N 3.62 0.66 0.51 4.98 -0.21 -1.26 -5.00 119.66 122.96 3kji s GLN 233 Ca 0.36 0.06 0.20 0.00 0.02 0.00 0.00 55.36 56.00 3kji s GLN 233 Cb -0.11 0.30 1.10 0.00 1.00 0.00 0.00 33.01 35.31 3kji s GLN 233 CO 0.24 -0.17 1.57 0.66 -2.12 0.00 0.00 175.29 175.47 3kji h SER 234 N 4.18 0.00 -0.58 5.90 4.64 -1.98 0.80 113.55 126.51 3kji h SER 234 Ca -0.29 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.02 3kji h SER 234 Cb 1.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 3kji h SER 234 CO 0.36 0.00 0.30 0.71 -0.87 0.00 0.00 176.83 177.33 3kji h THR 235 N 0.00 1.20 -2.93 2.95 1.35 -1.95 -3.42 112.91 110.10 3kji h THR 235 Ca 0.00 -0.52 -0.54 0.00 -0.55 0.00 0.00 66.41 64.80 3kji h THR 235 Cb 0.73 0.48 0.01 0.00 -1.73 0.00 0.00 68.15 67.64 3kji h THR 235 CO 0.00 0.22 0.80 0.21 -0.25 0.00 0.00 175.52 176.50 3kji s ASN 236 N -5.92 6.84 0.10 5.36 3.84 0.28 -4.95 114.94 120.49 3kji s ASN 236 Ca -0.13 2.20 -0.26 0.00 0.21 0.00 0.00 52.86 54.87 3kji s ASN 236 Cb 0.13 -2.57 -0.11 0.00 -0.55 0.00 0.00 41.25 38.15 3kji s ASN 236 CO 0.77 -0.70 1.66 -0.65 -2.79 0.00 0.00 177.10 175.40 3kji h PRO 237 N 7.51 -0.39 0.00 0.43 0.11 -1.84 -1.97 132.00 135.85 3kji h PRO 237 Ca -0.40 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3kji h PRO 237 Cb 1.19 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3kji h PRO 237 CO 0.89 -0.26 0.54 0.00 -0.21 0.00 0.00 178.00 178.96 3kji h ALA 238 N 0.37 1.51 -0.59 -0.75 0.00 -1.94 0.13 119.26 117.99 3kji h ALA 238 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3kji h ALA 238 Cb 0.39 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3kji h ALA 238 CO -0.07 -0.51 0.39 0.35 0.00 0.00 0.00 179.25 179.42 3kji h PHE 239 N 0.00 0.49 -0.49 0.00 3.04 -1.65 0.13 116.94 118.47 3kji h PHE 239 Ca 0.00 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.90 3kji h PHE 239 Cb 1.08 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 39.41 3kji h PHE 239 CO 0.00 0.25 0.05 -0.24 -2.02 0.00 0.00 178.31 176.35 3kji h VAL 240 N 0.48 1.26 -0.24 1.41 3.04 -0.92 -1.06 116.25 120.20 3kji h VAL 240 Ca 0.26 -0.98 0.01 0.00 -1.01 0.00 0.00 66.70 64.98 3kji h VAL 240 Cb 0.42 0.94 -0.02 0.00 -2.01 0.00 0.00 31.29 30.62 3kji h VAL 240 CO -0.08 0.35 0.12 0.78 -1.01 0.00 0.00 177.57 177.74 3kji h ASN 241 N 0.69 0.19 -0.17 3.17 4.21 -0.97 -1.42 115.58 121.29 3kji h ASN 241 Ca 0.14 0.01 0.02 0.00 1.21 0.00 0.00 56.30 57.69 3kji h ASN 241 Cb 0.44 -0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 37.59 3kji h ASN 241 CO 0.02 0.15 0.01 0.25 -1.29 0.00 0.00 177.43 176.56 3kji h LEU 242 N 0.26 -0.03 -0.69 1.61 5.85 -0.84 -0.05 115.31 121.41 3kji h LEU 242 Ca 0.10 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.96 3kji h LEU 242 Cb 0.02 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.02 3kji h LEU 242 CO -0.06 0.01 0.30 -0.74 -0.34 0.00 0.00 178.44 177.60 3kji h HIS 243 N 0.08 0.52 -0.21 1.25 2.76 -0.85 0.56 115.15 119.25 3kji h HIS 243 Ca 0.08 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.28 3kji h HIS 243 Cb 0.08 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 3kji h HIS 243 CO -0.15 0.13 0.13 -0.44 -1.30 0.00 0.00 177.93 176.31 3kji h ASP 244 N 0.49 0.25 -0.79 3.26 3.45 -0.57 -0.40 116.42 122.12 3kji h ASP 244 Ca 0.36 -0.04 0.01 0.00 0.43 0.00 0.00 57.03 57.79 3kji h ASP 244 Cb 0.45 -0.06 -0.04 0.00 -0.56 0.00 0.00 39.33 39.12 3kji h ASP 244 CO -0.32 0.22 0.52 0.40 -1.57 0.00 0.00 179.24 178.49 3kji h ILE 245 N 0.27 1.20 0.20 0.35 2.04 0.03 -2.25 117.51 119.36 3kji h ILE 245 Ca 0.08 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 3kji h ILE 245 Cb 0.01 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 3kji h ILE 245 CO -0.02 0.19 -0.10 0.22 0.00 0.00 0.00 178.15 178.45 3kji h TYR 246 N 1.07 -0.25 -0.88 1.37 3.20 0.58 -2.34 116.97 119.70 3kji h TYR 246 Ca 0.29 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.21 3kji h TYR 246 Cb -0.12 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.17 3kji h TYR 246 CO -0.02 -0.04 0.56 1.96 -1.64 0.00 0.00 178.16 178.98 3kji h GLN 247 N -0.44 1.00 -1.00 1.82 1.08 -1.01 -0.67 115.11 115.89 3kji h GLN 247 Ca -0.03 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.12 3kji h GLN 247 Cb 0.33 -0.23 -0.05 0.00 -0.05 0.00 0.00 27.48 27.49 3kji h GLN 247 CO 0.05 0.66 0.66 -0.22 -0.95 0.00 0.00 178.83 179.03 3kji h LYS 248 N 1.03 1.31 -0.23 1.46 3.64 -1.34 -2.19 116.57 120.24 3kji h LYS 248 Ca 0.38 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 3kji h LYS 248 Cb 0.13 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3kji h LYS 248 CO -0.16 0.86 0.03 1.25 -2.27 0.00 0.00 179.45 179.16 3kji h LEU 249 N 1.35 0.38 -1.14 5.20 6.46 -0.68 -2.28 115.31 124.60 3kji h LEU 249 Ca 0.37 -0.27 0.09 0.00 -0.12 0.00 0.00 57.88 57.95 3kji h LEU 249 Cb -0.14 -0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 39.62 3kji h LEU 249 CO -0.08 0.56 0.60 0.03 -0.62 0.00 0.00 178.44 178.92 3kji h ARG 250 N 0.19 0.93 -0.39 1.25 2.47 -0.76 0.39 114.38 118.45 3kji h ARG 250 Ca 0.07 -0.06 -0.14 0.00 -1.26 0.00 0.00 59.98 58.59 3kji h ARG 250 Cb 0.35 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 3kji h ARG 250 CO 0.01 0.61 -0.30 -0.07 0.56 0.00 0.00 179.97 180.77 3kji h LEU 251 N 0.95 0.95 -0.78 3.04 3.38 -1.27 0.24 115.31 121.82 3kji h LEU 251 Ca 0.43 -0.44 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 3kji h LEU 251 Cb 0.38 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3kji h LEU 251 CO -0.19 1.19 -0.54 -0.08 0.09 0.00 0.00 178.44 178.91 3kji h GLU 252 N 0.71 0.00 0.08 1.13 4.81 -0.70 -3.27 114.58 117.35 3kji h GLU 252 Ca 0.07 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.09 3kji h GLU 252 Cb 0.89 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 3kji h GLU 252 CO 0.08 0.54 -1.10 0.28 -0.73 0.00 0.00 179.01 178.08 3kji h VAL 253 N 0.00 1.18 0.00 0.32 2.07 -0.15 -3.51 116.25 116.16 3kji h VAL 253 Ca -0.01 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.14 3kji h VAL 253 Cb 1.06 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.62 3kji h VAL 253 CO 0.07 0.62 0.00 0.61 0.02 0.00 0.00 177.57 178.89