#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hct n TRP 46 N 0.00 0.00 -3.77 -1.55 2.14 -1.26 -4.72 117.44 108.29 2hct n TRP 46 Ca 0.00 0.00 -0.22 0.00 2.07 0.00 0.00 57.50 59.35 2hct n TRP 46 Cb 0.00 -0.02 -0.18 0.00 -0.81 0.00 0.00 31.31 30.30 2hct n TRP 46 CO 0.00 0.00 0.00 -0.98 2.07 0.00 0.00 177.69 178.78 2hct s ARG 47 N -2.39 0.51 0.81 -2.67 1.70 -1.26 -5.16 118.95 110.50 2hct s ARG 47 Ca 0.22 0.14 -0.08 0.00 -0.47 0.00 0.00 55.73 55.54 2hct s ARG 47 Cb 0.19 -0.89 0.14 0.00 -0.57 0.00 0.00 34.95 33.82 2hct s ARG 47 CO 0.51 -0.30 1.13 -0.65 -1.08 0.00 0.00 175.30 174.92 2hct s GLN 48 N 1.95 1.38 0.01 3.89 -1.52 -1.26 -5.01 119.66 119.10 2hct s GLN 48 Ca 0.04 -0.62 -0.18 0.00 -1.95 0.00 0.00 55.36 52.66 2hct s GLN 48 Cb -0.12 -2.09 -0.34 0.00 -0.22 0.00 0.00 33.01 30.23 2hct s GLN 48 CO -0.05 -1.79 0.98 1.15 -0.25 0.00 0.00 175.29 175.34 2hct h THR 49 N -1.00 1.35 -1.25 -0.19 2.02 -1.92 -3.47 112.91 108.45 2hct h THR 49 Ca -0.42 -2.62 -0.60 0.00 0.77 0.00 0.00 66.41 63.54 2hct h THR 49 Cb 1.27 3.05 -0.10 0.00 -1.74 0.00 0.00 68.15 70.63 2hct h THR 49 CO 0.44 0.78 -0.50 0.26 0.37 0.00 0.00 175.52 176.87 2hct s TRP 50 N -2.60 2.33 -0.61 3.16 0.52 -1.26 -5.05 118.94 115.42 2hct s TRP 50 Ca -0.10 -0.71 0.23 0.00 0.02 0.00 0.00 56.10 55.54 2hct s TRP 50 Cb 0.03 -1.85 0.06 0.00 -1.15 0.00 0.00 33.47 30.57 2hct s TRP 50 CO 0.91 0.17 1.04 0.43 0.02 0.00 0.00 176.95 179.53 2hct n SER 51 N -1.25 0.62 -4.90 2.95 7.64 -1.25 -4.72 113.62 112.70 2hct n SER 51 Ca -0.05 -0.19 -0.28 0.00 1.01 0.00 0.00 58.87 59.35 2hct n SER 51 Cb 0.66 0.76 -0.03 0.00 -1.01 0.00 0.00 64.21 64.59 2hct n SER 51 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2hct s GLY 52 N -3.65 1.76 0.47 0.23 0.00 0.12 -4.80 107.32 101.45 2hct s GLY 52 Ca 0.04 -0.53 -0.22 0.00 0.00 0.00 0.00 44.72 44.00 2hct s GLY 52 CO 0.80 -0.41 0.92 -1.55 0.00 0.00 0.00 173.10 172.85 2hct n PRO 53 N -1.28 1.11 -1.26 2.90 -0.04 -1.26 -2.14 135.00 133.03 2hct n PRO 53 Ca -0.01 0.41 -0.22 0.00 -0.04 0.00 0.00 63.50 63.63 2hct n PRO 53 Cb 0.54 -1.99 0.16 0.00 -0.04 0.00 0.00 33.50 32.17 2hct n PRO 53 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hct n GLY 54 N 1.31 -1.73 3.77 0.55 0.00 -1.25 -3.09 105.19 104.74 2hct n GLY 54 Ca 0.11 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 2hct n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hct s THR 55 N -3.01 2.20 0.23 2.61 2.01 -0.20 -4.71 115.64 114.76 2hct s THR 55 Ca 0.56 0.19 -0.32 0.00 0.31 0.00 0.00 61.69 62.43 2hct s THR 55 Cb -0.02 -3.12 -0.13 0.00 0.01 0.00 0.00 72.50 69.23 2hct s THR 55 CO 0.40 0.04 1.46 0.41 -0.69 0.00 0.00 174.62 176.24 2hct n THR 56 N 0.93 0.74 -1.71 -0.82 -1.04 0.21 -4.70 114.28 107.88 2hct n THR 56 Ca 0.02 -0.18 -0.40 0.00 -2.04 0.00 0.00 64.05 61.45 2hct n THR 56 Cb 0.39 -1.52 0.03 0.00 -1.82 0.00 0.00 70.33 67.41 2hct n THR 56 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2hct n LYS 57 N 2.35 1.76 -3.17 -2.82 2.85 -1.26 -2.07 118.16 115.81 2hct n LYS 57 Ca 0.13 0.64 -0.23 0.00 -1.05 0.00 0.00 58.31 57.80 2hct n LYS 57 Cb 0.31 -2.45 0.02 0.00 -0.65 0.00 0.00 35.03 32.26 2hct n LYS 57 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2hct n ARG 58 N -0.48 -4.36 -0.07 -1.58 1.74 -1.26 -4.89 116.66 105.76 2hct n ARG 58 Ca 0.09 0.73 -0.09 0.00 -0.77 0.00 0.00 57.85 57.81 2hct n ARG 58 Cb 0.42 -5.54 -0.03 0.00 -1.02 0.00 0.00 32.46 26.30 2hct n ARG 58 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2hct h PHE 59 N -1.25 -0.94 -0.33 -1.55 3.57 -1.78 0.18 116.94 114.85 2hct h PHE 59 Ca -0.49 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.13 2hct h PHE 59 Cb 1.33 0.45 -0.07 0.00 2.79 0.00 0.00 35.95 40.46 2hct h PHE 59 CO 0.59 -0.40 -0.12 -1.35 -2.23 0.00 0.00 178.31 174.80 2hct h PRO 60 N -0.33 -0.05 -0.38 6.41 0.11 -1.91 -0.46 132.00 135.38 2hct h PRO 60 Ca 0.13 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.11 2hct h PRO 60 Cb 0.55 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 2hct h PRO 60 CO -0.46 -0.03 -0.32 0.93 -0.21 0.00 0.00 178.00 177.91 2hct h GLU 61 N -0.05 0.86 -0.05 1.05 3.07 -1.85 -1.40 114.58 116.21 2hct h GLU 61 Ca 0.17 -0.41 -0.00 0.00 -0.50 0.00 0.00 59.36 58.62 2hct h GLU 61 Cb 0.31 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.21 2hct h GLU 61 CO -0.37 1.05 0.01 1.15 -1.40 0.00 0.00 179.01 179.45 2hct h THR 62 N 0.72 1.19 -0.19 1.13 2.02 -0.33 -0.47 112.91 116.97 2hct h THR 62 Ca 0.08 -0.57 0.02 0.00 0.77 0.00 0.00 66.41 66.70 2hct h THR 62 Cb 0.88 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.75 2hct h THR 62 CO 0.08 0.15 0.08 0.58 0.37 0.00 0.00 175.52 176.78 2hct h VAL 63 N -0.15 0.97 -0.34 3.16 2.07 -1.04 -0.22 116.25 120.71 2hct h VAL 63 Ca 0.01 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.48 2hct h VAL 63 Cb 0.24 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2hct h VAL 63 CO 0.00 0.03 0.21 0.25 0.02 0.00 0.00 177.57 178.08 2hct h LEU 64 N 0.17 0.36 -0.82 2.57 5.85 -1.18 0.03 115.31 122.29 2hct h LEU 64 Ca 0.08 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 2hct h LEU 64 Cb 0.04 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 2hct h LEU 64 CO -0.07 0.26 0.24 0.00 -0.34 0.00 0.00 178.44 178.52 2hct h ALA 65 N 1.14 1.05 -0.88 1.25 0.00 -0.95 -0.90 119.26 119.96 2hct h ALA 65 Ca 0.13 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2hct h ALA 65 Cb -0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 2hct h ALA 65 CO -0.04 0.65 0.55 0.00 0.00 0.00 0.00 179.25 180.40 2hct h ARG 66 N 1.07 1.19 0.07 0.00 3.08 -0.59 0.84 114.38 120.05 2hct h ARG 66 Ca 0.24 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 2hct h ARG 66 Cb 0.28 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2hct h ARG 66 CO -0.01 0.82 -0.04 0.00 -1.07 0.00 0.00 179.97 179.67 2hct h VAL 68 N -0.20 0.11 -0.63 0.00 2.07 -0.91 -1.25 116.25 115.44 2hct h VAL 68 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 2hct h VAL 68 Cb 0.16 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 29.97 2hct h VAL 68 CO 0.02 0.00 0.25 0.50 0.02 0.00 0.00 177.57 178.35 2hct h LYS 69 N -0.61 0.42 -0.19 1.57 3.64 -0.75 -0.48 116.57 120.18 2hct h LYS 69 Ca 0.04 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2hct h LYS 69 Cb 0.68 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2hct h LYS 69 CO -0.32 0.28 0.10 -0.92 -2.27 0.00 0.00 179.45 176.31 2hct h TYR 70 N 0.44 0.27 0.00 1.91 3.20 -1.02 -2.31 116.97 119.46 2hct h TYR 70 Ca 0.32 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.12 2hct h TYR 70 Cb 0.39 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2hct h TYR 70 CO -0.16 0.28 -0.26 1.79 -1.64 0.00 0.00 178.16 178.16 2hct h THR 71 N 0.19 0.64 -0.18 1.81 1.35 -0.67 0.65 112.91 116.70 2hct h THR 71 Ca 0.07 -1.24 -0.20 0.00 -0.55 0.00 0.00 66.41 64.49 2hct h THR 71 Cb 0.10 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 2hct h THR 71 CO -0.01 0.26 -0.69 -0.33 -0.25 0.00 0.00 175.52 174.50 2hct h GLU 72 N 0.00 0.73 0.15 4.72 5.08 -1.03 -3.35 114.58 120.87 2hct h GLU 72 Ca -0.00 -0.55 -0.20 0.00 -1.00 0.00 0.00 59.36 57.61 2hct h GLU 72 Cb 0.80 0.10 0.02 0.00 0.50 0.00 0.00 28.75 30.17 2hct h GLU 72 CO 0.03 1.17 -0.88 0.82 -1.00 0.00 0.00 179.01 179.15 2hct h ILE 73 N 0.52 1.49 -3.49 3.13 1.08 -0.91 -3.44 117.51 115.88 2hct h ILE 73 Ca -0.03 -2.54 -0.72 0.00 -0.39 0.00 0.00 64.86 61.19 2hct h ILE 73 Cb 1.30 3.16 -0.21 0.00 -3.07 0.00 0.00 36.82 38.01 2hct h ILE 73 CO 0.14 0.72 -0.40 -1.00 -0.69 0.00 0.00 178.15 176.93 2hct s HIS 74 N -2.48 3.23 0.36 1.37 3.76 0.17 -4.96 115.29 116.75 2hct s HIS 74 Ca -0.13 -0.58 0.09 0.00 -0.15 0.00 0.00 55.06 54.29 2hct s HIS 74 Cb 0.01 -2.66 0.70 0.00 1.11 0.00 0.00 32.58 31.75 2hct s HIS 74 CO 0.84 -0.62 1.86 -1.00 -0.85 0.00 0.00 174.74 174.98 2hct h PRO 75 N 8.65 0.22 0.00 8.40 0.13 -1.85 -2.28 132.00 145.27 2hct h PRO 75 Ca -0.27 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.77 2hct h PRO 75 Cb 1.12 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 2hct h PRO 75 CO 0.75 0.43 -0.10 1.05 -0.23 0.00 0.00 178.00 179.89 2hct h GLU 76 N 0.21 0.00 -0.77 0.86 9.09 -1.93 -2.15 114.58 119.89 2hct h GLU 76 Ca 0.04 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.38 2hct h GLU 76 Cb 0.49 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.55 2hct h GLU 76 CO 0.03 0.10 0.09 -1.33 0.05 0.00 0.00 179.01 177.96 2hct n MET 77 N -4.37 3.37 0.22 1.06 2.81 -0.86 -4.57 117.12 114.79 2hct n MET 77 Ca -0.03 -2.18 0.07 0.00 -1.81 0.00 0.00 57.70 53.75 2hct n MET 77 Cb 0.18 -2.00 0.50 0.00 -0.71 0.00 0.00 33.22 31.19 2hct n MET 77 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2hct h ARG 78 N 2.39 0.00 0.00 0.03 3.08 -1.46 -3.03 114.38 115.39 2hct h ARG 78 Ca 0.09 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 2hct h ARG 78 Cb 1.69 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.73 2hct h ARG 78 CO 0.43 0.26 -0.17 1.12 -1.07 0.00 0.00 179.97 180.53 2hct h HIS 79 N 0.00 0.00 -2.48 3.04 2.07 -1.84 -3.46 115.15 112.48 2hct h HIS 79 Ca -0.00 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 56.98 2hct h HIS 79 Cb 0.54 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.53 2hct h HIS 79 CO 0.00 0.17 1.16 0.08 -3.07 0.00 0.00 177.93 176.27 2hct s VAL 80 N -3.48 3.06 -0.31 6.12 1.01 -1.14 -4.96 120.40 120.70 2hct s VAL 80 Ca 0.02 0.22 -0.27 0.00 0.00 0.00 0.00 61.98 61.95 2hct s VAL 80 Cb 0.09 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.34 2hct s VAL 80 CO 0.64 -0.01 1.00 -0.62 0.00 0.00 0.00 175.10 176.10 2hct s ASP 81 N 3.73 6.87 0.23 3.32 -1.08 -1.26 -4.95 116.67 123.52 2hct s ASP 81 Ca 0.83 0.96 0.10 0.00 -0.52 0.00 0.00 52.55 53.92 2hct s ASP 81 Cb -0.41 -2.51 0.16 0.00 -1.46 0.00 0.00 42.92 38.71 2hct s ASP 81 CO 0.37 -0.80 1.49 0.00 0.52 0.00 0.00 175.17 176.76 2hct h GLN 83 N 0.00 0.90 -0.85 0.00 5.75 -1.95 0.97 115.11 119.92 2hct h GLN 83 Ca -0.01 -0.19 -0.03 0.00 -0.15 0.00 0.00 58.65 58.27 2hct h GLN 83 Cb 1.34 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 29.72 2hct h GLN 83 CO 0.09 0.81 0.43 0.77 -2.65 0.00 0.00 178.83 178.29 2hct h SER 84 N 0.82 1.10 -0.19 -0.69 0.02 -1.94 0.21 113.55 112.88 2hct h SER 84 Ca 0.19 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2hct h SER 84 Cb 0.28 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2hct h SER 84 CO -0.01 0.91 0.11 0.58 -1.14 0.00 0.00 176.83 177.28 2hct h VAL 85 N 1.21 1.09 -0.56 2.27 2.07 -0.83 -0.45 116.25 121.04 2hct h VAL 85 Ca 0.30 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.60 2hct h VAL 85 Cb 0.09 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 2hct h VAL 85 CO -0.04 0.09 0.33 -0.25 0.02 0.00 0.00 177.57 177.72 2hct h TRP 86 N 0.21 0.61 -0.31 1.57 -0.00 -0.51 -1.14 115.95 116.38 2hct h TRP 86 Ca 0.07 0.02 0.06 0.00 -0.00 0.00 0.00 58.89 59.03 2hct h TRP 86 Cb 0.05 -0.19 -0.05 0.00 -0.00 0.00 0.00 29.16 28.97 2hct h TRP 86 CO -0.04 0.33 -0.01 -0.44 -0.00 0.00 0.00 178.44 178.28 2hct h ASP 87 N 0.64 -0.14 0.19 2.65 3.32 -0.03 -0.78 116.42 122.27 2hct h ASP 87 Ca 0.23 0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.24 2hct h ASP 87 Cb 0.06 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2hct h ASP 87 CO -0.12 -0.04 -0.42 0.00 -1.72 0.00 0.00 179.24 176.94 2hct h ALA 88 N 1.27 1.04 0.16 3.45 0.00 -0.77 -1.14 119.26 123.28 2hct h ALA 88 Ca 0.15 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2hct h ALA 88 Cb 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2hct h ALA 88 CO -0.26 0.61 -0.08 0.35 0.00 0.00 0.00 179.25 179.88 2hct h PHE 89 N 0.25 -0.20 -0.54 0.00 3.04 -0.83 -2.71 116.94 115.96 2hct h PHE 89 Ca 0.02 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.07 2hct h PHE 89 Cb 0.85 0.07 -0.11 0.00 2.56 0.00 0.00 35.95 39.32 2hct h PHE 89 CO 0.02 0.11 -0.25 0.87 -2.02 0.00 0.00 178.31 177.04 2hct h LYS 90 N -0.51 -0.12 -0.40 1.11 1.57 -1.10 -2.45 116.57 114.66 2hct h LYS 90 Ca -0.02 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.88 2hct h LYS 90 Cb 0.40 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2hct h LYS 90 CO 0.04 -0.08 0.32 0.78 -0.57 0.00 0.00 179.45 179.94 2hct h GLY 91 N -0.12 0.00 1.74 3.86 0.00 -1.08 -0.24 103.07 107.23 2hct h GLY 91 Ca 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.51 2hct h GLY 91 CO -0.61 0.00 -0.17 0.00 0.00 0.00 0.00 176.54 175.76 2hct h ALA 92 N 1.74 1.37 0.00 3.60 0.00 -1.11 -3.39 119.26 121.47 2hct h ALA 92 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2hct h ALA 92 Cb 0.82 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2hct h ALA 92 CO -0.00 0.43 -0.22 1.97 0.00 0.00 0.00 179.25 181.43 2hct n PHE 93 N -4.22 0.00 -2.31 0.00 1.16 -0.60 -4.81 117.46 106.68 2hct n PHE 93 Ca -0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.17 2hct n PHE 93 Cb 0.31 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.15 2hct n PHE 93 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2hct s ILE 94 N -0.62 3.18 -1.51 1.97 -1.09 -0.20 -3.05 121.20 119.89 2hct s ILE 94 Ca 0.00 1.16 0.00 0.00 -2.23 0.00 0.00 60.65 59.58 2hct s ILE 94 Cb 0.00 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 2hct s ILE 94 CO 0.00 0.26 0.00 -1.20 -1.23 0.00 0.00 174.94 172.77 2hct n SER 95 N 1.25 -5.35 -4.39 3.58 7.64 -1.16 -4.91 113.62 110.27 2hct n SER 95 Ca 0.00 0.35 -0.30 0.00 1.01 0.00 0.00 58.87 59.94 2hct n SER 95 Cb 0.43 -4.10 -0.13 0.00 -1.01 0.00 0.00 64.21 59.40 2hct n SER 95 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2hct s LYS 96 N -3.15 1.71 0.06 1.43 1.02 -1.17 -4.61 119.74 115.03 2hct s LYS 96 Ca 0.00 -1.18 -0.31 0.00 0.02 0.00 0.00 55.97 54.51 2hct s LYS 96 Cb 0.00 -2.00 -0.08 0.00 -0.52 0.00 0.00 37.83 35.23 2hct s LYS 96 CO 0.00 0.49 1.63 -1.58 -0.92 0.00 0.00 175.35 174.97 2hct s HIS 97 N -0.94 2.47 -2.00 3.18 5.65 -1.26 -3.47 115.29 118.92 2hct s HIS 97 Ca 0.14 0.37 0.16 0.00 0.25 0.00 0.00 55.06 55.98 2hct s HIS 97 Cb -0.10 -3.94 0.97 0.00 -1.18 0.00 0.00 32.58 28.33 2hct s HIS 97 CO 0.05 -3.73 1.42 -0.35 -0.65 0.00 0.00 174.74 171.47 2hct n PRO 98 N 5.55 0.66 -0.23 2.88 -0.04 -1.26 -0.11 135.00 142.44 2hct n PRO 98 Ca 0.16 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.69 2hct n PRO 98 Cb 0.41 -1.38 0.20 0.00 -0.04 0.00 0.00 33.50 32.69 2hct n PRO 98 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hct n ASP 100 N 0.87 3.54 -4.78 0.00 4.64 0.84 -4.57 116.55 117.09 2hct n ASP 100 Ca 0.16 -3.07 -0.39 0.00 -1.38 0.00 0.00 54.79 50.11 2hct n ASP 100 Cb 0.49 -0.40 -0.06 0.00 -1.04 0.00 0.00 41.12 40.11 2hct n ASP 100 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2hct s ILE 101 N -4.23 4.66 0.31 5.18 -1.09 -0.66 -4.81 121.20 120.58 2hct s ILE 101 Ca 0.41 1.46 0.09 0.00 -2.23 0.00 0.00 60.65 60.38 2hct s ILE 101 Cb 0.37 -4.03 -0.06 0.00 -1.58 0.00 0.00 42.46 37.17 2hct s ILE 101 CO 0.01 0.47 -0.09 0.42 -1.23 0.00 0.00 174.94 174.52 2hct s THR 102 N -0.68 2.04 0.44 2.92 -4.23 -1.26 -4.74 115.64 110.12 2hct s THR 102 Ca 0.34 -2.19 0.11 0.00 -1.18 0.00 0.00 61.69 58.77 2hct s THR 102 Cb -0.21 -2.54 0.22 0.00 1.34 0.00 0.00 72.50 71.31 2hct s THR 102 CO 0.22 -0.26 2.03 -0.33 -0.54 0.00 0.00 174.62 175.74 2hct h GLU 103 N 2.14 0.23 -0.60 3.99 5.08 -1.98 -0.00 114.58 123.44 2hct h GLU 103 Ca -0.41 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 57.99 2hct h GLU 103 Cb 1.24 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 2hct h GLU 103 CO 0.68 0.24 0.40 0.93 -1.00 0.00 0.00 179.01 180.26 2hct h GLU 104 N 0.23 0.53 -0.06 2.33 3.07 -1.99 -1.18 114.58 117.51 2hct h GLU 104 Ca 0.06 -0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.90 2hct h GLU 104 Cb 0.14 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 27.93 2hct h GLU 104 CO 0.00 0.35 0.04 -0.44 -1.40 0.00 0.00 179.01 177.56 2hct h ASP 105 N 0.54 0.00 -0.19 1.42 3.32 -1.32 -1.67 116.42 118.53 2hct h ASP 105 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2hct h ASP 105 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2hct h ASP 105 CO -0.08 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.22 2hct n TYR 106 N -4.39 0.22 -0.22 4.55 4.02 -0.46 -3.89 117.16 116.99 2hct n TYR 106 Ca -0.02 -0.12 -0.08 0.00 -0.01 0.00 0.00 57.90 57.67 2hct n TYR 106 Cb 0.15 -0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.50 2hct n TYR 106 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 2hct h GLN 107 N 4.10 0.97 -0.88 -0.72 1.08 -1.17 -0.66 115.11 117.83 2hct h GLN 107 Ca 0.00 -0.20 0.10 0.00 -1.45 0.00 0.00 58.65 57.09 2hct h GLN 107 Cb 0.90 -0.14 -0.08 0.00 -0.05 0.00 0.00 27.48 28.11 2hct h GLN 107 CO 0.00 0.85 0.52 -1.35 -0.95 0.00 0.00 178.83 177.90 2hct h PRO 108 N 0.90 0.83 -0.41 1.46 0.11 -1.81 -0.07 132.00 133.01 2hct h PRO 108 Ca 0.20 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.20 2hct h PRO 108 Cb 0.28 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 2hct h PRO 108 CO -0.01 0.55 0.02 1.25 -0.21 0.00 0.00 178.00 179.60 2hct h LEU 109 N 0.86 0.70 -1.34 2.35 5.85 -1.66 -2.68 115.31 119.38 2hct h LEU 109 Ca 0.42 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.88 2hct h LEU 109 Cb 0.38 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 2hct h LEU 109 CO -0.25 0.82 0.47 0.24 -0.34 0.00 0.00 178.44 179.39 2hct h MET 110 N 0.55 0.83 0.11 1.25 2.86 -0.64 -0.54 114.93 119.36 2hct h MET 110 Ca 0.12 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 2hct h MET 110 Cb 0.45 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.93 2hct h MET 110 CO 0.02 0.55 -0.05 0.87 1.06 0.00 0.00 176.91 179.35 2hct h LYS 111 N 0.86 -0.14 0.00 1.72 1.57 -0.85 -2.20 116.57 117.52 2hct h LYS 111 Ca 0.29 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.05 2hct h LYS 111 Cb 0.08 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 2hct h LYS 111 CO -0.08 0.13 -0.12 -0.07 -0.57 0.00 0.00 179.45 178.74 2hct h LEU 112 N -0.42 0.00 -2.44 2.94 3.38 -1.13 -2.29 115.31 115.35 2hct h LEU 112 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2hct h LEU 112 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2hct h LEU 112 CO 0.03 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.29 2hct n GLY 113 N -0.83 2.07 3.68 0.83 0.00 -0.24 -4.96 105.19 105.73 2hct n GLY 113 Ca -0.02 -0.70 -0.57 0.00 0.00 0.00 0.00 46.02 44.73 2hct n GLY 113 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2hct n THR 114 N 1.25 0.20 -3.70 2.61 -1.04 -0.85 -4.76 114.28 108.00 2hct n THR 114 Ca 0.22 -0.04 -0.12 0.00 -2.04 0.00 0.00 64.05 62.07 2hct n THR 114 Cb 0.60 -1.05 -0.12 0.00 -1.82 0.00 0.00 70.33 67.94 2hct n THR 114 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2hct s GLN 115 N 2.65 0.25 -0.19 -2.82 0.74 -1.26 -5.07 119.66 113.96 2hct s GLN 115 Ca 0.95 0.70 -0.27 0.00 0.05 0.00 0.00 55.36 56.79 2hct s GLN 115 Cb -1.07 -0.03 -0.01 0.00 1.10 0.00 0.00 33.01 33.00 2hct s GLN 115 CO 0.62 -0.20 0.91 0.99 -0.55 0.00 0.00 175.29 177.05 2hct s THR 116 N 1.70 4.81 -0.03 -0.34 2.01 -1.26 -5.05 115.64 117.48 2hct s THR 116 Ca -0.06 1.77 0.06 0.00 0.31 0.00 0.00 61.69 63.77 2hct s THR 116 Cb -0.10 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 2hct s THR 116 CO -0.10 -0.05 -0.21 0.68 -0.69 0.00 0.00 174.62 174.25 2hct s VAL 117 N 2.52 2.49 -0.33 3.82 -7.23 -1.26 -5.07 120.40 115.34 2hct s VAL 117 Ca 0.40 -0.96 -0.32 0.00 -1.81 0.00 0.00 61.98 59.30 2hct s VAL 117 Cb -0.16 -1.92 -0.09 0.00 0.56 0.00 0.00 36.38 34.77 2hct s VAL 117 CO 0.11 0.58 2.24 -2.65 -0.31 0.00 0.00 175.10 175.06 2hct n PRO 118 N 2.35 1.38 0.22 4.82 -0.02 -1.26 -4.80 135.00 137.69 2hct n PRO 118 Ca -0.17 0.35 0.09 0.00 -2.02 0.00 0.00 63.50 61.75 2hct n PRO 118 Cb 0.52 -2.82 0.50 0.00 -0.02 0.00 0.00 33.50 31.67 2hct n PRO 118 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hct n ASN 120 N -3.61 0.99 -0.41 0.00 6.94 -1.25 -1.09 115.26 116.84 2hct n ASN 120 Ca -0.01 -1.63 0.07 0.00 -0.02 0.00 0.00 54.58 52.99 2hct n ASN 120 Cb 0.39 -0.07 0.15 0.00 -2.36 0.00 0.00 39.78 37.89 2hct n ASN 120 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2hct n LYS 121 N -0.11 1.26 -2.92 -3.83 5.02 -0.62 -4.64 118.16 112.32 2hct n LYS 121 Ca 0.14 -2.77 -0.41 0.00 -2.02 0.00 0.00 58.31 53.26 2hct n LYS 121 Cb 0.22 -1.40 -0.04 0.00 -0.02 0.00 0.00 35.03 33.78 2hct n LYS 121 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2hct s ILE 122 N -2.70 4.97 -0.29 -0.18 1.01 -1.26 -0.76 121.20 122.00 2hct s ILE 122 Ca 0.33 1.65 -0.03 0.00 0.00 0.00 0.00 60.65 62.60 2hct s ILE 122 Cb 0.31 -4.14 0.04 0.00 0.01 0.00 0.00 42.46 38.68 2hct s ILE 122 CO -0.03 0.19 -0.00 -0.22 0.00 0.00 0.00 174.94 174.88 2hct s LEU 123 N 1.08 3.72 0.56 2.97 2.96 0.33 -2.42 118.68 127.89 2hct s LEU 123 Ca 0.42 -1.10 -0.04 0.00 -0.22 0.00 0.00 54.13 53.19 2hct s LEU 123 Cb -0.18 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.79 2hct s LEU 123 CO 0.20 -0.22 0.85 -0.76 -1.32 0.00 0.00 176.35 175.10 2hct s LEU 124 N 1.31 3.30 0.20 -0.68 1.43 0.23 -4.00 118.68 120.47 2hct s LEU 124 Ca -0.03 0.55 -0.18 0.00 -1.03 0.00 0.00 54.13 53.45 2hct s LEU 124 Cb -0.19 -3.38 0.03 0.00 0.03 0.00 0.00 46.19 42.68 2hct s LEU 124 CO -0.01 -1.02 0.54 -1.66 0.23 0.00 0.00 176.35 174.42 2hct s TRP 125 N -2.89 -0.11 -0.07 0.29 1.48 -1.26 -1.78 118.94 114.59 2hct s TRP 125 Ca 0.53 -0.23 -0.03 0.00 -1.06 0.00 0.00 56.10 55.31 2hct s TRP 125 Cb -0.10 0.41 0.04 0.00 -1.16 0.00 0.00 33.47 32.65 2hct s TRP 125 CO 0.43 -0.94 0.13 0.45 -4.06 0.00 0.00 176.95 172.97 2hct s SER 126 N -2.88 0.62 0.00 -2.66 0.15 -0.74 -4.68 113.70 103.51 2hct s SER 126 Ca 0.10 0.27 0.00 0.00 0.70 0.00 0.00 55.95 57.02 2hct s SER 126 Cb -0.01 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 2hct s SER 126 CO -0.02 -0.22 0.00 0.54 1.20 0.00 0.00 173.24 174.74 2hct n ARG 127 N 5.05 0.00 -2.18 5.44 3.00 -1.26 -3.50 116.66 123.21 2hct n ARG 127 Ca -0.10 0.00 -0.39 0.00 -0.01 0.00 0.00 57.85 57.35 2hct n ARG 127 Cb 0.50 -1.07 0.01 0.00 0.00 0.00 0.00 32.46 31.91 2hct n ARG 127 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 2hct n ILE 128 N 0.00 4.86 -0.01 0.55 0.13 -1.26 -4.82 119.36 118.80 2hct n ILE 128 Ca 0.00 -4.86 -0.10 0.00 -1.10 0.00 0.00 62.75 56.69 2hct n ILE 128 Cb 0.00 -1.53 -0.04 0.00 -0.84 0.00 0.00 39.64 37.23 2hct n ILE 128 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 2hct h LYS 129 N 3.73 -0.37 -0.38 9.51 3.64 -1.96 -3.17 116.57 127.58 2hct h LYS 129 Ca 0.56 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.94 2hct h LYS 129 Cb 0.27 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 2hct h LYS 129 CO 1.27 -0.25 0.14 -0.44 -2.27 0.00 0.00 179.45 177.91 2hct h ASP 130 N -0.38 0.53 -0.84 4.20 5.19 -2.00 -2.24 116.42 120.88 2hct h ASP 130 Ca 0.10 -0.18 -0.03 0.00 -0.62 0.00 0.00 57.03 56.31 2hct h ASP 130 Cb 0.54 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 39.88 2hct h ASP 130 CO -0.37 0.57 0.42 0.25 -3.12 0.00 0.00 179.24 176.99 2hct h LEU 131 N 0.47 1.08 -0.21 1.55 6.46 -1.99 0.26 115.31 122.92 2hct h LEU 131 Ca 0.13 -0.12 0.05 0.00 -0.12 0.00 0.00 57.88 57.81 2hct h LEU 131 Cb 0.21 -0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 39.81 2hct h LEU 131 CO -0.01 0.90 -0.15 0.00 -0.62 0.00 0.00 178.44 178.56 2hct h ALA 132 N 1.22 0.01 -0.22 1.25 0.00 -1.43 0.25 119.26 120.34 2hct h ALA 132 Ca 0.29 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 55.11 2hct h ALA 132 Cb 0.09 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2hct h ALA 132 CO -0.04 -0.57 -0.53 0.45 0.00 0.00 0.00 179.25 178.55 2hct h HIS 133 N -0.14 0.96 -0.75 0.00 3.86 -1.20 -1.90 115.15 115.97 2hct h HIS 133 Ca 0.12 -0.37 0.02 0.00 -1.16 0.00 0.00 60.37 58.98 2hct h HIS 133 Cb 0.33 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 28.59 2hct h HIS 133 CO -0.30 1.17 0.49 1.96 0.86 0.00 0.00 177.93 182.11 2hct h GLN 134 N 0.47 0.96 0.17 2.45 4.20 -0.78 -1.03 115.11 121.56 2hct h GLN 134 Ca -0.01 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.66 2hct h GLN 134 Cb 1.15 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 28.68 2hct h GLN 134 CO 0.12 0.63 -0.35 0.35 -0.67 0.00 0.00 178.83 178.91 2hct h PHE 135 N 0.99 -0.95 0.00 2.96 3.04 -0.37 -2.95 116.94 119.66 2hct h PHE 135 Ca 0.28 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.23 2hct h PHE 135 Cb -0.07 0.40 -0.00 0.00 2.56 0.00 0.00 35.95 38.83 2hct h PHE 135 CO -0.03 -0.46 -0.12 1.79 -2.02 0.00 0.00 178.31 177.48 2hct h THR 136 N -0.61 0.64 0.00 4.41 1.35 -1.13 0.41 112.91 117.98 2hct h THR 136 Ca 0.02 -0.49 -0.06 0.00 -0.55 0.00 0.00 66.41 65.33 2hct h THR 136 Cb 0.62 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 68.34 2hct h THR 136 CO -0.17 0.11 -0.27 1.56 -0.25 0.00 0.00 175.52 176.50 2hct h GLN 137 N 0.00 0.00 0.00 4.72 1.08 -1.02 -1.63 115.11 118.26 2hct h GLN 137 Ca -0.00 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 2hct h GLN 137 Cb 0.30 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 2hct h GLN 137 CO 0.02 0.27 -0.92 0.28 -0.95 0.00 0.00 178.83 177.52 2hct n VAL 138 N -3.80 1.47 -1.41 -0.54 0.31 -0.97 -4.49 118.33 108.90 2hct n VAL 138 Ca -0.01 0.10 -0.39 0.00 -0.01 0.00 0.00 64.34 64.03 2hct n VAL 138 Cb 0.36 -2.27 -0.02 0.00 -0.91 0.00 0.00 33.84 31.00 2hct n VAL 138 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2hct n GLN 139 N -4.52 3.00 0.00 5.55 -0.06 0.14 -4.68 117.38 116.81 2hct n GLN 139 Ca -0.18 -2.26 0.00 0.00 -2.00 0.00 0.00 57.00 52.57 2hct n GLN 139 Cb 0.45 -2.97 0.00 0.00 -4.06 0.00 0.00 30.24 23.66 2hct n GLN 139 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2hct n ARG 140 N 4.97 0.11 -0.04 3.69 0.63 -0.62 -1.75 116.66 123.65 2hct n ARG 140 Ca 0.62 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 57.54 2hct n ARG 140 Cb 0.30 -1.01 -0.00 0.00 0.45 0.00 0.00 32.46 32.20 2hct n ARG 140 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2hct h ASP 141 N 0.13 0.00 -4.12 6.15 -0.00 -1.83 -3.47 116.42 113.27 2hct h ASP 141 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 57.03 56.50 2hct h ASP 141 Cb 0.01 0.00 0.12 0.00 -0.00 0.00 0.00 39.33 39.45 2hct h ASP 141 CO 0.00 0.37 0.44 -0.04 -0.00 0.00 0.00 179.24 180.01 2hct s MET 142 N -1.50 2.82 -0.10 0.28 -1.94 -0.72 -4.94 119.30 113.20 2hct s MET 142 Ca -0.04 1.75 0.02 0.00 -1.71 0.00 0.00 55.69 55.71 2hct s MET 142 Cb 0.00 -1.92 0.01 0.00 2.01 0.00 0.00 34.83 34.94 2hct s MET 142 CO 0.05 -1.31 -0.17 -0.06 -0.01 0.00 0.00 175.02 173.53 2hct s PHE 143 N -1.77 2.03 0.56 -0.03 0.08 0.06 -4.78 117.98 114.13 2hct s PHE 143 Ca 0.75 -0.89 0.01 0.00 0.12 0.00 0.00 56.93 56.92 2hct s PHE 143 Cb -0.28 -1.43 0.04 0.00 -0.57 0.00 0.00 43.02 40.77 2hct s PHE 143 CO 0.36 -0.43 0.79 0.95 -0.10 0.00 0.00 175.22 176.79 2hct s THR 144 N 0.75 2.62 0.46 0.64 -4.23 -1.26 -0.51 115.64 114.12 2hct s THR 144 Ca -0.11 -0.66 0.19 0.00 -1.18 0.00 0.00 61.69 59.92 2hct s THR 144 Cb -0.16 -2.96 0.37 0.00 1.34 0.00 0.00 72.50 71.08 2hct s THR 144 CO 0.02 0.00 1.95 0.25 -0.54 0.00 0.00 174.62 176.30 2hct h LEU 145 N 0.03 0.26 0.00 4.79 5.85 -1.98 -1.45 115.31 122.81 2hct h LEU 145 Ca -0.42 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2hct h LEU 145 Cb 1.30 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.29 2hct h LEU 145 CO 0.51 0.14 0.00 -0.62 -0.34 0.00 0.00 178.44 178.13 2hct n GLU 146 N -4.44 0.40 0.00 1.25 4.71 -1.26 -1.64 120.64 119.66 2hct n GLU 146 Ca 0.12 0.01 0.13 0.00 -0.01 0.00 0.00 57.16 57.41 2hct n GLU 146 Cb 0.54 -1.50 0.45 0.00 -1.01 0.00 0.00 31.44 29.91 2hct n GLU 146 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2hct n ASP 147 N -1.30 0.82 -4.92 1.62 10.43 -0.55 -3.17 116.55 119.48 2hct n ASP 147 Ca 0.14 -0.74 -0.26 0.00 2.57 0.00 0.00 54.79 56.50 2hct n ASP 147 Cb 0.24 0.07 -0.01 0.00 1.84 0.00 0.00 41.12 43.26 2hct n ASP 147 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2hct s THR 148 N -2.53 4.99 0.14 -3.53 -4.23 -0.65 -4.93 115.64 104.91 2hct s THR 148 Ca 0.25 -0.07 -0.26 0.00 -1.18 0.00 0.00 61.69 60.42 2hct s THR 148 Cb 0.19 -3.86 -0.02 0.00 1.34 0.00 0.00 72.50 70.16 2hct s THR 148 CO 0.51 -0.71 1.60 0.25 -0.54 0.00 0.00 174.62 175.74 2hct h LEU 149 N 0.51 -1.07 -0.28 4.79 5.85 -1.89 -0.62 115.31 122.60 2hct h LEU 149 Ca -0.48 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 2hct h LEU 149 Cb 1.21 0.45 -0.01 0.00 0.37 0.00 0.00 40.66 42.68 2hct h LEU 149 CO 0.62 -0.37 0.17 -0.07 -0.34 0.00 0.00 178.44 178.45 2hct h LEU 150 N -0.40 0.34 -0.68 2.25 3.38 -1.88 -0.03 115.31 118.29 2hct h LEU 150 Ca 0.10 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2hct h LEU 150 Cb 0.56 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2hct h LEU 150 CO -0.38 0.30 0.27 1.23 0.09 0.00 0.00 178.44 179.95 2hct h GLY 151 N 0.36 1.09 0.83 0.83 0.00 -1.60 -2.79 103.07 101.79 2hct h GLY 151 Ca 0.10 -0.60 0.03 0.00 0.00 0.00 0.00 47.33 46.87 2hct h GLY 151 CO -0.02 0.56 0.40 -1.82 0.00 0.00 0.00 176.54 175.66 2hct h TYR 152 N 0.96 0.74 -0.82 5.60 5.03 -0.82 -0.03 116.97 127.64 2hct h TYR 152 Ca 0.23 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.60 2hct h TYR 152 Cb 0.21 -0.24 -0.05 0.00 1.55 0.00 0.00 36.73 38.20 2hct h TYR 152 CO 0.01 0.41 0.51 -0.07 -1.32 0.00 0.00 178.16 177.71 2hct h LEU 153 N 0.77 0.83 0.00 2.82 3.38 -0.83 -3.26 115.31 119.02 2hct h LEU 153 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2hct h LEU 153 Cb 0.05 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2hct h LEU 153 CO -0.12 0.56 -1.22 0.00 0.09 0.00 0.00 178.44 177.75 2hct n ALA 154 N -2.34 3.68 -1.70 1.53 0.00 -1.04 -4.79 120.51 115.85 2hct n ALA 154 Ca 0.10 -0.48 -0.58 0.00 0.00 0.00 0.00 53.44 52.48 2hct n ALA 154 Cb 0.12 -0.87 -0.07 0.00 0.00 0.00 0.00 19.45 18.63 2hct n ALA 154 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2hct n ASP 155 N -1.88 2.15 -1.38 0.00 4.64 -0.05 -1.06 116.55 118.97 2hct n ASP 155 Ca 0.01 1.09 -0.18 0.00 -1.38 0.00 0.00 54.79 54.34 2hct n ASP 155 Cb 0.43 -1.12 -0.08 0.00 -1.04 0.00 0.00 41.12 39.32 2hct n ASP 155 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2hct n ASP 156 N 4.83 -5.18 -4.74 1.67 8.00 -1.26 -5.00 116.55 114.87 2hct n ASP 156 Ca 0.26 0.44 -0.24 0.00 0.71 0.00 0.00 54.79 55.96 2hct n ASP 156 Cb 0.12 -4.27 -0.06 0.00 -0.02 0.00 0.00 41.12 36.89 2hct n ASP 156 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2hct s LEU 157 N -4.09 3.53 0.02 0.64 1.43 -0.22 -5.05 118.68 114.95 2hct s LEU 157 Ca 0.00 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 52.78 2hct s LEU 157 Cb 0.00 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 2hct s LEU 157 CO 0.00 0.02 -0.15 -0.89 0.23 0.00 0.00 176.35 175.56 2hct s THR 158 N -2.03 1.19 -0.09 5.49 2.01 -1.26 -4.99 115.64 115.96 2hct s THR 158 Ca 0.31 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 61.15 2hct s THR 158 Cb -0.08 -1.04 0.07 0.00 0.01 0.00 0.00 72.50 71.46 2hct s THR 158 CO 0.22 0.17 0.70 -1.66 -0.69 0.00 0.00 174.62 173.36 2hct s TRP 159 N -0.62 -0.67 0.04 4.92 -2.14 -1.26 -0.62 118.94 118.59 2hct s TRP 159 Ca 0.04 1.24 -0.27 0.00 2.66 0.00 0.00 56.10 59.77 2hct s TRP 159 Cb -0.07 0.39 0.09 0.00 -3.10 0.00 0.00 33.47 30.78 2hct s TRP 159 CO 0.01 -0.56 0.83 0.00 -2.66 0.00 0.00 176.95 174.57 2hct n GLY 161 N -0.29 4.71 3.07 0.00 0.00 -1.25 -1.50 105.19 109.93 2hct n GLY 161 Ca -0.10 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 43.96 2hct n GLY 161 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hct s GLU 162 N 2.25 0.39 0.15 1.61 2.02 -1.25 -4.53 118.70 119.35 2hct s GLU 162 Ca 0.00 -0.29 -0.12 0.00 0.02 0.00 0.00 54.97 54.57 2hct s GLU 162 Cb 0.00 0.16 0.02 0.00 0.10 0.00 0.00 34.13 34.41 2hct s GLU 162 CO 0.00 -0.08 1.61 0.35 0.02 0.00 0.00 175.26 177.15 2hct h PHE 163 N 4.70 0.95 -0.00 1.61 3.57 -1.81 -3.14 116.94 122.82 2hct h PHE 163 Ca -0.30 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.04 2hct h PHE 163 Cb 1.20 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.69 2hct h PHE 163 CO 0.56 0.89 -0.01 -0.40 -2.23 0.00 0.00 178.31 177.12 2hct n ASP 164 N -4.33 0.12 -3.86 0.41 5.75 -1.26 -4.56 116.55 108.81 2hct n ASP 164 Ca 0.01 -0.64 -0.09 0.00 -0.01 0.00 0.00 54.79 54.06 2hct n ASP 164 Cb 0.31 -0.12 -0.04 0.00 -1.03 0.00 0.00 41.12 40.24 2hct n ASP 164 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2hct s THR 165 N -2.28 0.02 -0.41 2.12 -1.32 -1.23 -5.02 115.64 107.52 2hct s THR 165 Ca 0.38 -1.07 0.10 0.00 -1.21 0.00 0.00 61.69 59.89 2hct s THR 165 Cb 0.21 -1.86 0.63 0.00 -1.51 0.00 0.00 72.50 69.97 2hct s THR 165 CO 0.42 -0.08 1.49 -1.54 -2.21 0.00 0.00 174.62 172.69 2hct n SER 166 N -0.36 4.59 -4.76 8.08 3.41 -1.26 -2.97 113.62 120.34 2hct n SER 166 Ca -0.06 -2.77 -0.39 0.00 -0.26 0.00 0.00 58.87 55.39 2hct n SER 166 Cb 0.62 -0.66 -0.06 0.00 -0.26 0.00 0.00 64.21 63.85 2hct n SER 166 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2hct s LYS 167 N -2.38 4.72 0.29 4.33 1.02 -1.26 -4.82 119.74 121.64 2hct s LYS 167 Ca 0.42 1.47 -0.29 0.00 0.02 0.00 0.00 55.97 57.59 2hct s LYS 167 Cb 0.33 -3.08 -0.09 0.00 -0.52 0.00 0.00 37.83 34.46 2hct s LYS 167 CO 0.12 0.38 1.06 0.42 -0.92 0.00 0.00 175.35 176.42 2hct s ILE 168 N -1.34 3.63 -0.50 2.17 1.01 -1.26 -3.75 121.20 121.16 2hct s ILE 168 Ca 0.45 1.58 -0.16 0.00 0.00 0.00 0.00 60.65 62.52 2hct s ILE 168 Cb -0.24 -3.98 0.09 0.00 0.01 0.00 0.00 42.46 38.34 2hct s ILE 168 CO 0.30 0.33 0.44 0.21 0.00 0.00 0.00 174.94 176.22 2hct s ASN 169 N -1.04 6.16 0.00 3.58 3.84 -0.56 -4.91 114.94 122.02 2hct s ASN 169 Ca 0.46 -1.49 0.27 0.00 0.21 0.00 0.00 52.86 52.31 2hct s ASN 169 Cb -0.29 -2.20 0.94 0.00 -0.55 0.00 0.00 41.25 39.15 2hct s ASN 169 CO 0.37 -0.73 1.68 -1.22 -2.79 0.00 0.00 177.10 174.41 2hct n TYR 170 N 5.25 0.02 -0.10 0.43 4.02 -1.26 -1.03 117.16 124.48 2hct n TYR 170 Ca -0.13 -0.01 -0.20 0.00 -0.01 0.00 0.00 57.90 57.55 2hct n TYR 170 Cb 0.42 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.62 2hct n TYR 170 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2hct n GLN 171 N 0.32 0.67 -3.46 -0.72 1.13 -1.26 -4.11 117.38 109.94 2hct n GLN 171 Ca 0.18 0.20 -0.10 0.00 -1.94 0.00 0.00 57.00 55.34 2hct n GLN 171 Cb 0.38 -1.57 -0.02 0.00 0.11 0.00 0.00 30.24 29.14 2hct n GLN 171 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2hct s SER 172 N -6.75 -0.48 0.03 1.08 1.04 -1.26 -3.90 113.70 103.46 2hct s SER 172 Ca -0.32 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2hct s SER 172 Cb 0.09 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.68 2hct s SER 172 CO 0.63 -0.79 -0.04 0.00 0.98 0.00 0.00 173.24 174.02 2hct n PRO 174 N 1.30 2.08 -2.72 0.00 -0.02 -1.26 -0.70 135.00 133.67 2hct n PRO 174 Ca -0.22 0.75 -0.41 0.00 -2.02 0.00 0.00 63.50 61.60 2hct n PRO 174 Cb 0.56 -2.48 -0.04 0.00 -0.02 0.00 0.00 33.50 31.52 2hct n PRO 174 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2hct s ASP 175 N 0.70 7.48 0.37 2.55 -1.08 -1.26 -4.61 116.67 120.81 2hct s ASP 175 Ca 0.76 1.78 0.12 0.00 -0.52 0.00 0.00 52.55 54.68 2hct s ASP 175 Cb -0.68 -2.59 0.92 0.00 -1.46 0.00 0.00 42.92 39.11 2hct s ASP 175 CO 0.42 -0.09 1.84 -0.25 0.52 0.00 0.00 175.17 177.60 2hct h TRP 176 N 5.75 0.76 0.00 -5.34 7.01 -1.93 -0.20 115.95 122.00 2hct h TRP 176 Ca -0.43 0.02 -0.18 0.00 2.11 0.00 0.00 58.89 60.42 2hct h TRP 176 Cb 1.21 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 28.01 2hct h TRP 176 CO 0.65 0.21 -1.07 -0.09 -2.79 0.00 0.00 178.44 175.35 2hct h ARG 177 N 0.59 0.00 0.03 2.65 2.43 -1.92 -3.28 114.38 114.87 2hct h ARG 177 Ca 0.50 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.44 2hct h ARG 177 Cb 0.98 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 2hct h ARG 177 CO -0.24 0.76 -1.03 0.87 -1.51 0.00 0.00 179.97 178.82 2hct h LYS 178 N -1.00 0.10 0.00 0.20 1.57 -1.97 -3.43 116.57 112.04 2hct h LYS 178 Ca -0.27 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2hct h LYS 178 Cb 1.11 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2hct h LYS 178 CO -0.16 1.03 -0.38 -0.25 -0.57 0.00 0.00 179.45 179.12 2hct n ASP 179 N -3.46 0.84 -3.59 0.86 8.00 -0.13 -4.98 116.55 114.08 2hct n ASP 179 Ca -0.03 0.14 -0.07 0.00 0.71 0.00 0.00 54.79 55.54 2hct n ASP 179 Cb 0.93 -0.53 -0.04 0.00 -0.02 0.00 0.00 41.12 41.46 2hct n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hct n SER 181 N 0.38 0.59 -2.12 0.00 3.41 -1.24 -3.76 113.62 110.88 2hct n SER 181 Ca -0.05 -0.41 -0.17 0.00 -0.26 0.00 0.00 58.87 57.97 2hct n SER 181 Cb 0.59 1.13 -0.07 0.00 -0.26 0.00 0.00 64.21 65.59 2hct n SER 181 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2hct n ASN 182 N -1.88 5.96 -4.97 4.04 4.13 -1.26 -4.43 115.26 116.85 2hct n ASN 182 Ca 0.01 -2.86 -0.21 0.00 1.68 0.00 0.00 54.58 53.20 2hct n ASN 182 Cb 0.43 -1.25 -0.01 0.00 -1.54 0.00 0.00 39.78 37.41 2hct n ASN 182 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2hct s ASN 183 N 1.03 6.16 0.28 6.41 4.22 -1.25 -1.65 114.94 130.14 2hct s ASN 183 Ca 0.50 0.12 0.01 0.00 -2.14 0.00 0.00 52.86 51.35 2hct s ASN 183 Cb 0.30 -1.69 0.56 0.00 1.28 0.00 0.00 41.25 41.70 2hct s ASN 183 CO -0.09 -0.30 1.82 -0.65 -2.04 0.00 0.00 177.10 175.83 2hct h PRO 184 N 0.90 0.87 -0.03 3.55 0.11 -1.81 -1.40 132.00 134.20 2hct h PRO 184 Ca -0.49 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 2hct h PRO 184 Cb 1.24 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2hct h PRO 184 CO 0.58 0.58 -0.13 0.28 -0.21 0.00 0.00 178.00 179.10 2hct h VAL 185 N 0.90 1.48 -0.54 3.15 2.07 -1.96 -2.37 116.25 118.98 2hct h VAL 185 Ca 0.50 -1.62 -0.09 0.00 0.82 0.00 0.00 66.70 66.31 2hct h VAL 185 Cb 0.56 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 2hct h VAL 185 CO -0.29 0.44 -0.02 0.28 0.02 0.00 0.00 177.57 177.99 2hct h SER 186 N -0.45 0.91 -0.04 0.57 0.02 -1.81 -1.99 113.55 110.77 2hct h SER 186 Ca -0.01 -0.25 -0.17 0.00 -0.84 0.00 0.00 61.79 60.52 2hct h SER 186 Cb 0.79 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 2hct h SER 186 CO 0.03 0.99 -0.56 0.58 -1.14 0.00 0.00 176.83 176.73 2hct h VAL 187 N 0.86 1.31 0.14 2.27 2.07 -1.33 -2.27 116.25 119.30 2hct h VAL 187 Ca 0.15 -1.79 0.01 0.00 0.82 0.00 0.00 66.70 65.89 2hct h VAL 187 Cb 0.54 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 2hct h VAL 187 CO 0.03 0.56 -0.17 0.15 0.02 0.00 0.00 177.57 178.16 2hct h PHE 188 N 0.48 -0.45 -0.23 1.57 3.57 -1.20 -1.67 116.94 119.01 2hct h PHE 188 Ca 0.01 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 2hct h PHE 188 Cb 1.12 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 2hct h PHE 188 CO 0.05 -0.26 -0.24 -1.49 -2.23 0.00 0.00 178.31 174.14 2hct h TRP 189 N -0.36 0.48 -0.15 0.41 4.06 -1.23 -1.29 115.95 117.88 2hct h TRP 189 Ca 0.01 -0.10 -0.00 0.00 2.06 0.00 0.00 58.89 60.86 2hct h TRP 189 Cb 0.36 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 28.39 2hct h TRP 189 CO -0.16 0.65 0.08 -0.22 -3.56 0.00 0.00 178.44 175.23 2hct h LYS 190 N 0.39 0.21 0.04 0.49 3.64 -1.35 0.11 116.57 120.09 2hct h LYS 190 Ca 0.06 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2hct h LYS 190 Cb 0.64 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2hct h LYS 190 CO 0.05 0.21 -0.02 1.15 -2.27 0.00 0.00 179.45 178.57 2hct h THR 191 N 0.15 1.07 -0.17 1.00 2.02 -0.90 -1.52 112.91 114.56 2hct h THR 191 Ca 0.05 -0.33 -0.15 0.00 0.77 0.00 0.00 66.41 66.75 2hct h THR 191 Cb 0.06 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 2hct h THR 191 CO -0.01 0.08 -0.52 -0.37 0.37 0.00 0.00 175.52 175.08 2hct h VAL 192 N -0.20 1.33 -0.41 3.16 -1.51 -1.25 -2.82 116.25 114.55 2hct h VAL 192 Ca -0.01 -1.76 -0.13 0.00 -1.23 0.00 0.00 66.70 63.58 2hct h VAL 192 Cb 0.18 1.75 -0.01 0.00 -2.13 0.00 0.00 31.29 31.08 2hct h VAL 192 CO 0.01 0.54 -0.24 0.28 -1.23 0.00 0.00 177.57 176.93 2hct h SER 193 N 0.38 0.88 0.26 4.19 0.02 -0.75 -1.69 113.55 116.83 2hct h SER 193 Ca 0.01 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 2hct h SER 193 Cb 1.03 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.33 2hct h SER 193 CO 0.09 1.08 -0.14 -0.09 -1.14 0.00 0.00 176.83 176.64 2hct h ARG 194 N 0.74 -0.35 -0.72 3.45 2.43 -1.26 -0.25 114.38 118.42 2hct h ARG 194 Ca 0.09 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.32 2hct h ARG 194 Cb 0.79 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.37 2hct h ARG 194 CO 0.07 -0.24 0.45 -0.09 -1.51 0.00 0.00 179.97 178.65 2hct h ARG 195 N -0.37 0.87 -0.33 0.20 2.43 -1.41 -1.03 114.38 114.75 2hct h ARG 195 Ca -0.03 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2hct h ARG 195 Cb 0.29 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2hct h ARG 195 CO 0.04 0.57 0.20 0.35 -1.51 0.00 0.00 179.97 179.63 2hct h PHE 196 N 0.89 0.38 -0.86 2.20 3.57 -1.21 -2.41 116.94 119.49 2hct h PHE 196 Ca 0.29 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.84 2hct h PHE 196 Cb 0.00 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.57 2hct h PHE 196 CO -0.04 0.23 0.56 0.00 -2.23 0.00 0.00 178.31 176.84 2hct h ALA 197 N 1.13 1.49 0.00 2.41 0.00 -0.80 -2.38 119.26 121.11 2hct h ALA 197 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2hct h ALA 197 Cb -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.48 2hct h ALA 197 CO -0.05 0.42 0.00 0.93 0.00 0.00 0.00 179.25 180.55 2hct h GLU 198 N 1.05 0.00 0.00 0.00 5.08 -0.81 -2.96 114.58 116.94 2hct h GLU 198 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2hct h GLU 198 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2hct h GLU 198 CO -0.11 0.00 -0.55 0.00 -1.00 0.00 0.00 179.01 177.35 2hct n ALA 199 N -1.92 3.31 -1.74 3.43 0.00 -0.90 -4.82 120.51 117.88 2hct n ALA 199 Ca 0.02 -0.32 -0.34 0.00 0.00 0.00 0.00 53.44 52.80 2hct n ALA 199 Cb 0.28 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 2hct n ALA 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hct s ALA 200 N -3.06 2.76 0.20 0.00 0.00 -1.12 -4.58 121.76 115.96 2hct s ALA 200 Ca 0.09 0.63 -0.10 0.00 0.00 0.00 0.00 51.96 52.59 2hct s ALA 200 Cb 0.16 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 2hct s ALA 200 CO 0.71 -0.63 0.34 0.00 0.00 0.00 0.00 175.76 176.18 2hct n ASP 202 N -0.29 0.00 -4.63 0.00 8.00 -0.14 -3.88 116.55 115.61 2hct n ASP 202 Ca -0.04 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.08 2hct n ASP 202 Cb 0.63 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.64 2hct n ASP 202 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2hct s VAL 203 N 0.00 5.21 -0.07 2.53 1.01 -1.26 -0.11 120.40 127.71 2hct s VAL 203 Ca 0.00 0.55 -0.00 0.00 0.00 0.00 0.00 61.98 62.53 2hct s VAL 203 Cb 0.00 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 2hct s VAL 203 CO 0.00 0.21 -0.04 -0.69 0.00 0.00 0.00 175.10 174.58 2hct s VAL 204 N 1.72 3.95 0.09 2.92 1.01 -0.44 -4.60 120.40 125.05 2hct s VAL 204 Ca 0.15 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.80 2hct s VAL 204 Cb -0.15 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2hct s VAL 204 CO 0.09 0.59 -0.12 -1.00 0.00 0.00 0.00 175.10 174.66 2hct s HIS 205 N -0.85 2.70 -0.03 5.22 3.76 -1.02 -0.40 115.29 124.67 2hct s HIS 205 Ca 0.13 -0.17 0.01 0.00 -0.15 0.00 0.00 55.06 54.87 2hct s HIS 205 Cb -0.11 -1.44 0.02 0.00 1.11 0.00 0.00 32.58 32.16 2hct s HIS 205 CO 0.02 0.40 -0.01 0.54 -0.85 0.00 0.00 174.74 174.83 2hct s VAL 206 N -1.15 0.27 -0.17 -0.90 0.11 0.11 -0.60 120.40 118.07 2hct s VAL 206 Ca 0.20 0.01 -0.17 0.00 -2.93 0.00 0.00 61.98 59.09 2hct s VAL 206 Cb -0.11 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.37 2hct s VAL 206 CO 0.12 0.15 0.43 -0.04 -3.33 0.00 0.00 175.10 172.43 2hct s MET 207 N 0.86 4.23 0.10 1.54 -1.94 -0.73 0.11 119.30 123.46 2hct s MET 207 Ca -0.09 0.29 0.10 0.00 -1.71 0.00 0.00 55.69 54.28 2hct s MET 207 Cb -0.12 -3.50 -0.04 0.00 2.01 0.00 0.00 34.83 33.18 2hct s MET 207 CO -0.01 0.03 -0.25 -0.51 -0.01 0.00 0.00 175.02 174.27 2hct s LEU 208 N 1.07 2.34 -0.71 -0.03 1.43 -0.28 -1.78 118.68 120.71 2hct s LEU 208 Ca 0.21 -0.66 -0.24 0.00 -1.03 0.00 0.00 54.13 52.41 2hct s LEU 208 Cb -0.15 -1.30 0.05 0.00 0.03 0.00 0.00 46.19 44.83 2hct s LEU 208 CO 0.08 0.21 1.13 -0.62 0.23 0.00 0.00 176.35 177.38 2hct s ASP 209 N -1.80 6.19 0.00 2.29 2.15 -1.23 -0.45 116.67 123.82 2hct s ASP 209 Ca 0.14 -0.79 0.09 0.00 0.43 0.00 0.00 52.55 52.41 2hct s ASP 209 Cb -0.10 -2.49 0.51 0.00 -0.30 0.00 0.00 42.92 40.55 2hct s ASP 209 CO 0.05 -1.61 1.06 0.61 -0.17 0.00 0.00 175.17 175.12 2hct n GLY 210 N 5.41 -0.67 0.75 2.66 0.00 -0.04 -2.45 105.19 110.85 2hct n GLY 210 Ca 0.01 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.08 2hct n GLY 210 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hct n SER 211 N -0.70 2.54 -4.82 1.61 3.41 -1.26 -4.67 113.62 109.73 2hct n SER 211 Ca 0.06 -1.77 -0.33 0.00 -0.26 0.00 0.00 58.87 56.58 2hct n SER 211 Cb 0.03 0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.07 2hct n SER 211 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2hct s ARG 212 N -1.89 3.77 0.50 4.33 6.06 -1.03 -4.96 118.95 125.74 2hct s ARG 212 Ca 0.23 1.10 0.29 0.00 -2.50 0.00 0.00 55.73 54.84 2hct s ARG 212 Cb 0.17 -2.10 1.01 0.00 0.06 0.00 0.00 34.95 34.09 2hct s ARG 212 CO 0.33 -0.42 1.85 0.66 -2.50 0.00 0.00 175.30 175.21 2hct h SER 213 N 0.96 0.00 -3.01 -2.12 4.64 -1.91 -3.32 113.55 108.79 2hct h SER 213 Ca -0.47 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.20 2hct h SER 213 Cb 1.20 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.89 2hct h SER 213 CO 0.60 0.06 -0.38 0.29 -0.87 0.00 0.00 176.83 176.52 2hct n LYS 214 N -3.15 2.28 -0.18 4.77 5.02 -1.26 -4.94 118.16 120.70 2hct n LYS 214 Ca 0.01 -4.52 -0.01 0.00 -2.02 0.00 0.00 58.31 51.77 2hct n LYS 214 Cb 0.39 -2.33 0.09 0.00 -0.02 0.00 0.00 35.03 33.16 2hct n LYS 214 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2hct h ILE 215 N 4.06 0.66 -3.40 -0.18 2.04 -1.80 -3.29 117.51 115.60 2hct h ILE 215 Ca 0.16 -0.08 -0.63 0.00 1.00 0.00 0.00 64.86 65.31 2hct h ILE 215 Cb 0.75 0.41 -0.19 0.00 -0.74 0.00 0.00 36.82 37.05 2hct h ILE 215 CO 0.80 0.04 -0.61 0.12 0.00 0.00 0.00 178.15 178.51 2hct s PHE 216 N -6.13 3.15 -0.24 1.37 5.36 -1.26 -4.41 117.98 115.82 2hct s PHE 216 Ca -0.13 -0.16 0.02 0.00 -0.96 0.00 0.00 56.93 55.70 2hct s PHE 216 Cb 0.17 -2.10 0.06 0.00 -0.34 0.00 0.00 43.02 40.80 2hct s PHE 216 CO 0.73 -0.04 -0.09 0.34 -1.46 0.00 0.00 175.22 174.70 2hct s ASP 217 N 0.75 3.99 0.64 6.13 2.15 -1.24 -4.84 116.67 124.24 2hct s ASP 217 Ca 0.02 -1.20 0.30 0.00 0.43 0.00 0.00 52.55 52.10 2hct s ASP 217 Cb -0.14 -1.36 1.59 0.00 -0.30 0.00 0.00 42.92 42.72 2hct s ASP 217 CO 0.02 -0.19 1.93 0.11 -0.17 0.00 0.00 175.17 176.87 2hct h LYS 218 N 7.88 0.00 -0.01 4.34 1.57 -1.94 -2.03 116.57 126.37 2hct h LYS 218 Ca -0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2hct h LYS 218 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2hct h LYS 218 CO 0.45 0.00 -0.36 -0.25 -0.57 0.00 0.00 179.45 178.72 2hct n ASP 219 N -3.22 1.45 -4.80 0.86 8.00 -1.26 -2.91 116.55 114.68 2hct n ASP 219 Ca 0.01 -1.16 -0.30 0.00 0.71 0.00 0.00 54.79 54.05 2hct n ASP 219 Cb 0.46 0.29 0.09 0.00 -0.02 0.00 0.00 41.12 41.94 2hct n ASP 219 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2hct s SER 220 N -2.50 4.47 0.20 -2.24 1.04 -0.76 -4.79 113.70 109.12 2hct s SER 220 Ca 0.22 1.36 -0.10 0.00 0.48 0.00 0.00 55.95 57.90 2hct s SER 220 Cb 0.19 -2.10 0.25 0.00 0.10 0.00 0.00 66.02 64.46 2hct s SER 220 CO 0.55 -1.99 1.76 0.74 0.98 0.00 0.00 173.24 175.28 2hct h THR 221 N -1.10 0.83 -0.25 2.02 2.02 -1.91 0.47 112.91 114.98 2hct h THR 221 Ca -0.47 -0.16 0.05 0.00 0.77 0.00 0.00 66.41 66.60 2hct h THR 221 Cb 1.26 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 67.96 2hct h THR 221 CO 0.58 0.08 -0.04 0.15 0.37 0.00 0.00 175.52 176.67 2hct h PHE 222 N 0.46 -0.10 -0.04 3.16 3.57 -1.90 0.12 116.94 122.22 2hct h PHE 222 Ca 0.29 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.67 2hct h PHE 222 Cb 0.31 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2hct h PHE 222 CO -0.14 -0.09 -0.64 0.78 -2.23 0.00 0.00 178.31 175.99 2hct h GLY 223 N 0.02 0.16 0.28 2.40 0.00 -1.55 0.10 103.07 104.48 2hct h GLY 223 Ca 0.12 -0.21 -0.28 0.00 0.00 0.00 0.00 47.33 46.96 2hct h GLY 223 CO -0.24 0.19 -2.11 -1.14 0.00 0.00 0.00 176.54 173.24 2hct n SER 224 N -3.82 0.25 -0.03 0.19 3.41 0.11 -4.55 113.62 109.18 2hct n SER 224 Ca -0.02 0.11 -0.07 0.00 -0.26 0.00 0.00 58.87 58.63 2hct n SER 224 Cb 0.64 0.86 -0.02 0.00 -0.26 0.00 0.00 64.21 65.42 2hct n SER 224 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2hct n VAL 225 N -2.75 0.71 0.07 -3.33 0.31 0.31 -4.67 118.33 108.99 2hct n VAL 225 Ca -0.24 0.02 -0.13 0.00 -0.01 0.00 0.00 64.34 63.98 2hct n VAL 225 Cb 1.02 -1.67 -0.08 0.00 -0.91 0.00 0.00 33.84 32.20 2hct n VAL 225 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2hct h GLY 226 N -0.30 -0.16 0.90 2.92 0.00 -0.67 -2.64 103.07 103.12 2hct h GLY 226 Ca -0.15 0.06 0.09 0.00 0.00 0.00 0.00 47.33 47.33 2hct h GLY 226 CO -0.09 -0.06 0.50 -2.08 0.00 0.00 0.00 176.54 174.82 2hct h VAL 227 N -0.42 0.97 -0.01 4.60 2.07 -1.06 -2.00 116.25 120.39 2hct h VAL 227 Ca -0.02 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2hct h VAL 227 Cb 0.34 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2hct h VAL 227 CO 0.03 0.13 -0.17 1.41 0.02 0.00 0.00 177.57 178.99 2hct n HIS 228 N -4.50 0.00 0.21 1.57 8.25 -1.18 -3.98 115.22 115.59 2hct n HIS 228 Ca 0.12 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.61 2hct n HIS 228 Cb 0.30 -0.08 0.02 0.00 1.12 0.00 0.00 29.99 31.35 2hct n HIS 228 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2hct n ASN 229 N -0.35 1.36 -4.77 0.41 3.02 -0.78 -4.97 115.26 109.18 2hct n ASN 229 Ca 0.14 -1.18 -0.39 0.00 -0.03 0.00 0.00 54.58 53.12 2hct n ASN 229 Cb 0.35 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 2hct n ASN 229 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2hct s LEU 230 N -0.52 4.18 -0.37 3.41 1.43 -1.04 -3.51 118.68 122.26 2hct s LEU 230 Ca 0.06 2.71 -0.12 0.00 -1.03 0.00 0.00 54.13 55.75 2hct s LEU 230 Cb 0.04 -3.93 0.02 0.00 0.03 0.00 0.00 46.19 42.35 2hct s LEU 230 CO 0.07 -0.95 0.22 -1.10 0.23 0.00 0.00 176.35 174.82 2hct s GLN 231 N -2.32 3.00 0.62 1.70 -1.52 -1.26 -4.95 119.66 114.92 2hct s GLN 231 Ca 0.58 -0.97 0.34 0.00 -1.95 0.00 0.00 55.36 53.37 2hct s GLN 231 Cb -0.39 -3.75 2.00 0.00 -0.22 0.00 0.00 33.01 30.65 2hct s GLN 231 CO 0.50 -0.64 2.28 -1.35 -0.25 0.00 0.00 175.29 175.83 2hct h PRO 232 N 8.46 0.00 0.00 2.91 0.11 -1.85 0.04 132.00 141.67 2hct h PRO 232 Ca -0.27 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 2hct h PRO 232 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2hct h PRO 232 CO 0.67 0.00 -0.12 0.93 -0.21 0.00 0.00 178.00 179.27 2hct h GLU 233 N 0.00 0.00 0.00 1.05 3.07 -1.93 -3.35 114.58 113.42 2hct h GLU 233 Ca 0.01 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.74 2hct h GLU 233 Cb 0.05 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 2hct h GLU 233 CO -0.00 0.12 -1.47 1.63 -1.40 0.00 0.00 179.01 177.89 2hct n LYS 234 N -3.65 0.67 -3.06 2.33 5.02 -0.19 -4.99 118.16 114.29 2hct n LYS 234 Ca -0.02 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 2hct n LYS 234 Cb 0.24 -1.17 -0.06 0.00 -0.02 0.00 0.00 35.03 34.02 2hct n LYS 234 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2hct s VAL 235 N -2.17 4.92 -0.14 -0.18 1.01 -0.18 -0.97 120.40 122.70 2hct s VAL 235 Ca -0.10 1.08 -0.28 0.00 0.00 0.00 0.00 61.98 62.68 2hct s VAL 235 Cb 0.03 -4.01 -0.26 0.00 0.00 0.00 0.00 36.38 32.14 2hct s VAL 235 CO 0.20 -0.09 0.72 -0.61 0.00 0.00 0.00 175.10 175.32 2hct h GLN 236 N 8.03 0.02 -3.45 2.72 5.75 -0.83 -3.44 115.11 123.90 2hct h GLN 236 Ca -0.26 -0.03 -0.20 0.00 -0.15 0.00 0.00 58.65 58.01 2hct h GLN 236 Cb 1.11 0.01 -0.27 0.00 1.07 0.00 0.00 27.48 29.40 2hct h GLN 236 CO 0.81 1.01 -0.59 0.99 -2.65 0.00 0.00 178.83 178.41 2hct s THR 237 N -2.24 -0.00 -0.26 2.39 2.01 -0.88 -1.22 115.64 115.44 2hct s THR 237 Ca -0.20 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 61.71 2hct s THR 237 Cb -0.02 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.28 2hct s THR 237 CO 0.69 0.00 0.15 -0.22 -0.69 0.00 0.00 174.62 174.55 2hct s LEU 238 N 0.09 3.90 -0.24 4.42 2.96 0.03 -1.33 118.68 128.51 2hct s LEU 238 Ca -0.00 -0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.85 2hct s LEU 238 Cb -0.01 -2.06 -0.00 0.00 0.50 0.00 0.00 46.19 44.61 2hct s LEU 238 CO 0.00 -0.00 -0.02 -0.70 -1.32 0.00 0.00 176.35 174.31 2hct s GLU 239 N 1.47 3.28 -0.09 1.98 2.12 0.47 -1.38 118.70 126.54 2hct s GLU 239 Ca 0.07 -0.70 -0.18 0.00 0.36 0.00 0.00 54.97 54.53 2hct s GLU 239 Cb -0.15 -3.09 -0.05 0.00 0.26 0.00 0.00 34.13 31.11 2hct s GLU 239 CO 0.07 -0.26 0.46 0.00 -0.54 0.00 0.00 175.26 174.99 2hct s ALA 240 N 1.47 3.52 -0.30 6.30 0.00 -0.05 -0.71 121.76 131.99 2hct s ALA 240 Ca 0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 51.96 51.75 2hct s ALA 240 Cb -0.15 -2.60 0.02 0.00 0.00 0.00 0.00 23.12 20.39 2hct s ALA 240 CO -0.02 0.10 0.08 -1.58 0.00 0.00 0.00 175.76 174.33 2hct s TRP 241 N 0.28 3.17 -0.46 0.00 0.51 0.12 -0.70 118.94 121.86 2hct s TRP 241 Ca 0.25 -1.16 -0.20 0.00 -2.12 0.00 0.00 56.10 52.87 2hct s TRP 241 Cb -0.15 -2.24 0.03 0.00 -0.81 0.00 0.00 33.47 30.29 2hct s TRP 241 CO 0.11 -0.63 0.65 0.08 -0.51 0.00 0.00 176.95 176.65 2hct s VAL 242 N 1.46 4.82 -0.42 4.03 1.01 0.41 -1.12 120.40 130.58 2hct s VAL 242 Ca 0.01 -0.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.70 2hct s VAL 242 Cb -0.18 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 31.98 2hct s VAL 242 CO 0.02 -0.67 0.95 -0.63 0.00 0.00 0.00 175.10 174.77 2hct s ILE 243 N 2.83 4.49 0.42 2.22 -1.09 0.41 -0.06 121.20 130.42 2hct s ILE 243 Ca 0.21 1.00 -0.24 0.00 -2.23 0.00 0.00 60.65 59.39 2hct s ILE 243 Cb -0.15 -4.41 -0.08 0.00 -1.58 0.00 0.00 42.46 36.24 2hct s ILE 243 CO 0.17 -0.72 1.16 -1.00 -1.23 0.00 0.00 174.94 173.32 2hct s HIS 244 N 3.71 3.03 -0.05 3.97 3.76 -0.16 -0.86 115.29 128.68 2hct s HIS 244 Ca 0.39 1.56 -0.00 0.00 -0.15 0.00 0.00 55.06 56.85 2hct s HIS 244 Cb -0.11 -3.36 0.04 0.00 1.11 0.00 0.00 32.58 30.27 2hct s HIS 244 CO 0.23 -1.31 1.78 0.41 -0.85 0.00 0.00 174.74 175.00 2hct n GLY 245 N 0.54 2.66 7.00 -2.22 0.00 -1.26 -4.72 105.19 107.19 2hct n GLY 245 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2hct n GLY 245 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hct n GLY 246 N 1.06 1.44 4.82 -0.02 0.00 -1.26 -4.94 105.19 106.28 2hct n GLY 246 Ca 0.06 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2hct n GLY 246 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hct n ARG 247 N 12.71 0.00 0.00 1.61 0.63 -1.26 -4.88 116.66 125.47 2hct n ARG 247 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2hct n ARG 247 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2hct n ARG 247 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2hct n GLU 248 N 0.00 0.00 -2.03 -0.14 1.02 -1.26 -5.03 120.64 113.20 2hct n GLU 248 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 2hct n GLU 248 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 2hct n GLU 248 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2hct n ASP 249 N 0.00 -3.14 -1.59 1.62 4.64 -1.26 -5.00 116.55 111.82 2hct n ASP 249 Ca 0.00 0.02 0.00 0.00 -1.38 0.00 0.00 54.79 53.43 2hct n ASP 249 Cb 0.00 -2.29 0.00 0.00 -1.04 0.00 0.00 41.12 37.79 2hct n ASP 249 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 2hct n SER 250 N 0.42 0.18 -4.72 1.67 3.41 -1.26 -5.08 113.62 108.25 2hct n SER 250 Ca -0.10 -0.80 -0.33 0.00 -0.26 0.00 0.00 58.87 57.38 2hct n SER 250 Cb 0.53 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.59 2hct n SER 250 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2hct s ARG 251 N -1.02 1.99 -0.86 4.33 0.52 -1.26 -4.95 118.95 117.70 2hct s ARG 251 Ca 0.00 1.66 -0.25 0.00 -0.52 0.00 0.00 55.73 56.62 2hct s ARG 251 Cb 0.00 -1.83 0.05 0.00 0.52 0.00 0.00 34.95 33.69 2hct s ARG 251 CO 0.00 -1.93 1.32 0.34 0.02 0.00 0.00 175.30 175.06 2hct s ASP 252 N -2.27 6.32 0.00 0.23 2.15 -1.26 -4.87 116.67 116.97 2hct s ASP 252 Ca 0.72 -0.97 0.27 0.00 0.43 0.00 0.00 52.55 53.00 2hct s ASP 252 Cb -0.27 -2.55 1.24 0.00 -0.30 0.00 0.00 42.92 41.05 2hct s ASP 252 CO 0.48 -1.64 1.90 0.18 -0.17 0.00 0.00 175.17 175.91 2hct n LEU 253 N 8.94 0.00 0.04 -1.34 4.77 -1.26 -1.98 117.00 126.17 2hct n LEU 253 Ca 0.16 0.42 0.06 0.00 -0.03 0.00 0.00 56.01 56.62 2hct n LEU 253 Cb 0.50 -0.42 0.26 0.00 -2.33 0.00 0.00 43.42 41.43 2hct n LEU 253 CO 0.68 -0.03 0.68 0.00 -1.33 0.00 0.00 177.39 177.38 2hct n GLN 255 N -1.69 1.32 -1.70 0.00 1.13 -0.84 -4.62 117.38 110.98 2hct n GLN 255 Ca 0.02 -1.00 -0.43 0.00 -1.94 0.00 0.00 57.00 53.65 2hct n GLN 255 Cb 0.10 -1.48 -0.01 0.00 0.11 0.00 0.00 30.24 28.96 2hct n GLN 255 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2hct n ASP 256 N 0.03 2.90 -0.34 1.08 -0.08 -0.88 -4.78 116.55 114.48 2hct n ASP 256 Ca 0.12 1.19 0.18 0.00 -1.51 0.00 0.00 54.79 54.76 2hct n ASP 256 Cb 0.44 -1.49 0.40 0.00 2.34 0.00 0.00 41.12 42.82 2hct n ASP 256 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2hct h PRO 257 N 3.08 0.57 0.00 -0.67 0.11 -1.93 -0.19 132.00 132.96 2hct h PRO 257 Ca -0.46 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 2hct h PRO 257 Cb 1.27 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2hct h PRO 257 CO 0.67 0.37 -0.30 1.79 -0.21 0.00 0.00 178.00 180.32 2hct h THR 258 N 0.58 0.60 -0.06 -1.15 1.35 -1.89 -1.72 112.91 110.62 2hct h THR 258 Ca 0.60 -1.50 -0.22 0.00 -0.55 0.00 0.00 66.41 64.74 2hct h THR 258 Cb 1.19 2.03 0.01 0.00 -1.73 0.00 0.00 68.15 69.65 2hct h THR 258 CO -0.39 0.29 -0.87 0.40 -0.25 0.00 0.00 175.52 174.71 2hct h ILE 259 N 0.00 1.34 -0.41 6.82 1.08 -1.38 -1.11 117.51 123.86 2hct h ILE 259 Ca -0.00 -2.22 -0.04 0.00 -0.39 0.00 0.00 64.86 62.21 2hct h ILE 259 Cb 1.00 2.23 -0.02 0.00 -3.07 0.00 0.00 36.82 36.96 2hct h ILE 259 CO 0.04 0.68 0.09 0.11 -0.69 0.00 0.00 178.15 178.37 2hct h LYS 260 N 0.35 0.60 0.19 2.37 1.79 -1.03 0.31 116.57 121.16 2hct h LYS 260 Ca -0.07 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.28 2hct h LYS 260 Cb 1.49 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 32.05 2hct h LYS 260 CO 0.16 0.56 -0.09 1.49 -1.08 0.00 0.00 179.45 180.49 2hct h GLU 261 N 0.59 -0.25 -0.84 3.15 4.81 -1.16 -1.01 114.58 119.87 2hct h GLU 261 Ca 0.13 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.46 2hct h GLU 261 Cb 0.24 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.61 2hct h GLU 261 CO -0.00 -0.05 0.50 1.25 -0.73 0.00 0.00 179.01 179.98 2hct h LEU 262 N -0.40 0.75 -0.79 1.64 5.85 -0.94 -1.04 115.31 120.37 2hct h LEU 262 Ca -0.03 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 2hct h LEU 262 Cb 0.31 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2hct h LEU 262 CO 0.04 0.46 0.30 -0.08 -0.34 0.00 0.00 178.44 178.82 2hct h GLU 263 N 0.88 1.19 -0.30 1.25 4.81 -0.67 -1.32 114.58 120.41 2hct h GLU 263 Ca 0.39 -0.23 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 2hct h GLU 263 Cb 0.27 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2hct h GLU 263 CO -0.21 0.97 -0.07 1.03 -0.73 0.00 0.00 179.01 180.00 2hct h SER 264 N 1.15 0.59 -0.24 1.04 0.87 -0.24 -0.40 113.55 116.32 2hct h SER 264 Ca 0.26 -0.36 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 2hct h SER 264 Cb 0.24 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2hct h SER 264 CO -0.02 0.82 0.11 0.40 -0.53 0.00 0.00 176.83 177.61 2hct h ILE 265 N 0.35 1.15 -0.44 2.23 2.04 -1.04 -1.54 117.51 120.25 2hct h ILE 265 Ca 0.08 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 2hct h ILE 265 Cb 0.56 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 2hct h ILE 265 CO 0.03 0.15 0.10 0.40 0.00 0.00 0.00 178.15 178.83 2hct h ILE 266 N 0.25 1.24 -0.49 -0.67 1.08 -1.18 -2.64 117.51 115.10 2hct h ILE 266 Ca 0.08 -0.82 -0.06 0.00 -0.39 0.00 0.00 64.86 63.66 2hct h ILE 266 Cb 0.13 0.93 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 2hct h ILE 266 CO -0.01 0.29 0.05 0.28 -0.69 0.00 0.00 178.15 178.07 2hct h SER 267 N 0.58 0.75 0.83 1.72 0.02 -0.96 -1.18 113.55 115.31 2hct h SER 267 Ca 0.14 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2hct h SER 267 Cb 0.33 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2hct h SER 267 CO 0.00 0.79 0.00 1.17 -1.14 0.00 0.00 176.83 177.65 2hct n LYS 268 N -4.24 0.04 -0.00 3.45 3.00 -0.59 -1.21 118.16 118.62 2hct n LYS 268 Ca 0.03 0.16 0.15 0.00 -0.00 0.00 0.00 58.31 58.65 2hct n LYS 268 Cb 0.27 -1.57 0.68 0.00 0.00 0.00 0.00 35.03 34.42 2hct n LYS 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2hct n ARG 269 N -1.65 1.41 -2.72 1.64 1.74 -0.46 -4.93 116.66 111.69 2hct n ARG 269 Ca 0.05 -0.59 -0.07 0.00 -0.77 0.00 0.00 57.85 56.47 2hct n ARG 269 Cb 0.27 -1.48 0.02 0.00 -1.02 0.00 0.00 32.46 30.25 2hct n ARG 269 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2hct n ASN 270 N -0.28 -3.18 -4.15 0.55 5.03 -0.35 -4.74 115.26 108.14 2hct n ASN 270 Ca 0.21 -0.14 -0.25 0.00 0.87 0.00 0.00 54.58 55.28 2hct n ASN 270 Cb 0.26 -1.85 -0.15 0.00 -1.02 0.00 0.00 39.78 37.02 2hct n ASN 270 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2hct s ILE 271 N -2.97 1.35 0.44 2.41 1.01 -1.11 -4.94 121.20 117.39 2hct s ILE 271 Ca 0.15 -0.72 -0.22 0.00 0.00 0.00 0.00 60.65 59.86 2hct s ILE 271 Cb -0.07 -1.13 -0.09 0.00 0.01 0.00 0.00 42.46 41.18 2hct s ILE 271 CO 0.18 0.38 1.01 -1.10 0.00 0.00 0.00 174.94 175.42 2hct s GLN 272 N -0.35 4.04 -0.06 2.79 -0.21 -0.36 -3.45 119.66 122.06 2hct s GLN 272 Ca 0.05 1.32 0.04 0.00 0.02 0.00 0.00 55.36 56.79 2hct s GLN 272 Cb -0.07 -2.25 -0.02 0.00 1.00 0.00 0.00 33.01 31.67 2hct s GLN 272 CO -0.00 -0.22 -0.17 0.12 -2.12 0.00 0.00 175.29 172.90 2hct s PHE 273 N -1.95 2.64 0.05 0.91 5.36 -1.26 -0.79 117.98 122.94 2hct s PHE 273 Ca 0.63 -0.32 0.03 0.00 -0.96 0.00 0.00 56.93 56.31 2hct s PHE 273 Cb -0.16 -1.64 -0.02 0.00 -0.34 0.00 0.00 43.02 40.86 2hct s PHE 273 CO 0.20 0.06 -0.09 0.45 -1.46 0.00 0.00 175.22 174.38 2hct s SER 274 N -0.51 1.01 0.01 6.13 0.15 -0.48 -4.97 113.70 115.04 2hct s SER 274 Ca 0.07 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.18 2hct s SER 274 Cb -0.12 0.01 -0.01 0.00 -1.71 0.00 0.00 66.02 64.20 2hct s SER 274 CO 0.01 -0.16 -0.02 0.00 1.20 0.00 0.00 173.24 174.27 2hct s LYS 276 N -0.58 0.28 0.23 0.00 -0.14 0.12 -4.95 119.74 114.71 2hct s LYS 276 Ca -0.05 -0.09 -0.30 0.00 -1.36 0.00 0.00 55.97 54.16 2hct s LYS 276 Cb -0.04 -0.29 -0.09 0.00 -1.68 0.00 0.00 37.83 35.73 2hct s LYS 276 CO -0.00 0.05 0.98 -0.80 -0.76 0.00 0.00 175.35 174.82 2hct s ASN 277 N 0.06 7.54 -0.48 2.83 0.01 -1.26 -0.44 114.94 123.19 2hct s ASN 277 Ca -0.00 2.00 -0.01 0.00 -0.71 0.00 0.00 52.86 54.14 2hct s ASN 277 Cb -0.03 -2.61 0.13 0.00 0.41 0.00 0.00 41.25 39.15 2hct s ASN 277 CO -0.00 0.05 0.26 -0.63 -1.51 0.00 0.00 177.10 175.27 2hct s ILE 278 N -0.99 3.17 0.12 0.60 1.01 0.91 -4.84 121.20 121.19 2hct s ILE 278 Ca 0.43 -2.53 -0.14 0.00 0.00 0.00 0.00 60.65 58.41 2hct s ILE 278 Cb -0.27 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 2hct s ILE 278 CO 0.34 -0.75 1.54 1.88 0.00 0.00 0.00 174.94 177.96 2hct h TYR 279 N 7.49 0.82 -3.10 3.97 0.05 -1.93 -0.39 116.97 123.88 2hct h TYR 279 Ca -0.08 -0.16 -0.62 0.00 0.05 0.00 0.00 58.73 57.92 2hct h TYR 279 Cb 1.00 -0.21 -0.41 0.00 1.01 0.00 0.00 36.73 38.12 2hct h TYR 279 CO 0.58 0.85 -0.68 -0.98 -1.05 0.00 0.00 178.16 176.88 2hct s ARG 280 N -4.87 1.74 0.57 4.88 1.70 -1.26 -4.51 118.95 117.20 2hct s ARG 280 Ca -0.13 -2.50 0.29 0.00 -0.47 0.00 0.00 55.73 52.92 2hct s ARG 280 Cb 0.10 -2.84 1.70 0.00 -0.57 0.00 0.00 34.95 33.35 2hct s ARG 280 CO 0.81 -1.18 2.20 -1.00 -1.08 0.00 0.00 175.30 175.05 2hct h PRO 281 N 6.30 0.00 -0.50 3.89 0.13 -1.85 0.80 132.00 140.78 2hct h PRO 281 Ca 0.02 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.06 2hct h PRO 281 Cb 0.88 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.99 2hct h PRO 281 CO 0.59 0.04 -0.01 0.38 -0.23 0.00 0.00 178.00 178.77 2hct h ASP 282 N 0.00 0.87 0.18 1.44 2.03 -1.97 -2.12 116.42 116.84 2hct h ASP 282 Ca -0.00 -0.31 -0.19 0.00 -0.73 0.00 0.00 57.03 55.80 2hct h ASP 282 Cb 0.10 -0.23 -0.00 0.00 -0.83 0.00 0.00 39.33 38.36 2hct h ASP 282 CO 0.00 0.97 -0.74 0.50 -1.03 0.00 0.00 179.24 178.94 2hct h LYS 283 N 0.74 0.48 0.30 4.15 3.64 -1.59 -2.93 116.57 121.37 2hct h LYS 283 Ca 0.14 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 2hct h LYS 283 Cb 0.53 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 2hct h LYS 283 CO 0.03 1.03 -0.37 0.35 -2.27 0.00 0.00 179.45 178.22 2hct h PHE 284 N 0.33 -1.00 -0.99 1.91 3.57 -0.82 0.76 116.94 120.70 2hct h PHE 284 Ca -0.04 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.59 2hct h PHE 284 Cb 1.33 0.40 -0.08 0.00 2.79 0.00 0.00 35.95 40.39 2hct h PHE 284 CO 0.05 -0.50 0.63 -0.07 -2.23 0.00 0.00 178.31 176.19 2hct h LEU 285 N -0.71 0.92 -0.55 0.59 3.38 -1.48 -0.14 115.31 117.32 2hct h LEU 285 Ca -0.01 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2hct h LEU 285 Cb 0.67 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2hct h LEU 285 CO -0.10 0.51 0.11 -0.61 0.09 0.00 0.00 178.44 178.44 2hct h GLN 286 N 1.00 0.89 -0.64 1.13 5.75 -1.22 -1.39 115.11 120.63 2hct h GLN 286 Ca 0.48 -0.23 -0.05 0.00 -0.15 0.00 0.00 58.65 58.70 2hct h GLN 286 Cb 0.45 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.86 2hct h GLN 286 CO -0.24 0.85 0.20 0.00 -2.65 0.00 0.00 178.83 176.99 2hct h VAL 288 N 0.95 1.23 0.00 0.00 2.07 -0.70 -0.35 116.25 119.44 2hct h VAL 288 Ca 0.21 -0.50 -0.14 0.00 0.82 0.00 0.00 66.70 67.10 2hct h VAL 288 Cb 0.27 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 2hct h VAL 288 CO -0.01 0.24 -0.65 0.11 0.02 0.00 0.00 177.57 177.28 2hct h LYS 289 N 1.10 0.00 -2.01 1.57 1.57 -1.02 -3.37 116.57 114.41 2hct h LYS 289 Ca 0.29 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.51 2hct h LYS 289 Cb -0.04 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 31.88 2hct h LYS 289 CO -0.05 0.65 -1.09 0.09 -0.57 0.00 0.00 179.45 178.48 2hct n ASN 290 N -3.56 0.36 -4.61 0.86 4.13 -0.48 -5.10 115.26 106.86 2hct n ASN 290 Ca -0.00 -2.74 -0.53 0.00 1.68 0.00 0.00 54.58 52.99 2hct n ASN 290 Cb 0.69 -0.64 -0.06 0.00 -1.54 0.00 0.00 39.78 38.23 2hct n ASN 290 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2hct n PRO 291 N 1.35 1.08 -1.13 3.52 -0.05 -0.16 -4.58 135.00 135.03 2hct n PRO 291 Ca 0.22 0.39 0.15 0.00 -0.05 0.00 0.00 63.50 64.21 2hct n PRO 291 Cb 0.53 -2.03 -0.05 0.00 -0.05 0.00 0.00 33.50 31.90 2hct n PRO 291 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 175.50 174.60 2hct n GLU 292 N 2.95 -2.38 -0.80 0.54 0.00 -1.26 -5.07 120.64 114.63 2hct n GLU 292 Ca 0.20 1.69 0.00 0.00 0.00 0.00 0.00 57.16 59.05 2hct n GLU 292 Cb 0.17 -2.86 0.00 0.00 0.00 0.00 0.00 31.44 28.75 2hct n GLU 292 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 2hct n ASP 293 N -3.75 -1.73 0.00 -1.84 5.75 -1.26 -4.84 116.55 108.88 2hct n ASP 293 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 2hct n ASP 293 Cb 0.52 -0.86 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 2hct n ASP 293 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2hct n SER 294 N 0.00 0.00 -1.96 -1.12 2.88 -1.26 -4.32 113.62 107.84 2hct n SER 294 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 2hct n SER 294 Cb 0.00 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 63.65 2hct n SER 294 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2hct n SER 295 N 7.26 3.53 -0.44 -3.46 2.88 -1.26 -5.26 113.62 116.87 2hct n SER 295 Ca 0.00 -3.62 0.14 0.00 -1.33 0.00 0.00 58.87 54.06 2hct n SER 295 Cb 0.00 -0.78 0.56 0.00 -0.75 0.00 0.00 64.21 63.24 2hct n SER 295 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81