#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1htt s ILE 5 N 0.00 5.07 0.49 2.41 1.09 -1.26 -5.11 121.20 123.90 1htt s ILE 5 Ca 0.00 0.25 0.03 0.00 -1.10 0.00 0.00 60.65 59.83 1htt s ILE 5 Cb 0.00 -3.63 -0.02 0.00 -1.06 0.00 0.00 42.46 37.76 1htt s ILE 5 CO 0.00 0.03 0.10 -1.10 -0.10 0.00 0.00 174.94 173.87 1htt s GLN 6 N -2.61 2.17 0.39 2.79 -1.52 -1.26 -5.11 119.66 114.51 1htt s GLN 6 Ca 0.42 -2.23 -0.23 0.00 -1.95 0.00 0.00 55.36 51.37 1htt s GLN 6 Cb -0.12 -1.70 -0.10 0.00 -0.22 0.00 0.00 33.01 30.86 1htt s GLN 6 CO 0.23 -0.33 0.95 0.00 -0.25 0.00 0.00 175.29 175.88 1htt s ALA 7 N -2.80 3.10 0.15 6.09 0.00 -1.26 -4.98 121.76 122.06 1htt s ALA 7 Ca 0.19 0.46 -0.31 0.00 0.00 0.00 0.00 51.96 52.29 1htt s ALA 7 Cb 0.02 -3.17 -0.11 0.00 0.00 0.00 0.00 23.12 19.87 1htt s ALA 7 CO 0.11 0.13 1.74 0.42 0.00 0.00 0.00 175.76 178.16 1htt s ILE 8 N -1.95 2.43 0.13 0.00 -1.09 -1.26 -4.86 121.20 114.60 1htt s ILE 8 Ca 0.58 0.14 -0.34 0.00 -2.23 0.00 0.00 60.65 58.79 1htt s ILE 8 Cb -0.13 -3.09 -0.17 0.00 -1.58 0.00 0.00 42.46 37.49 1htt s ILE 8 CO 0.17 0.01 1.16 -1.14 -1.23 0.00 0.00 174.94 173.91 1htt n ARG 9 N 4.88 0.95 -1.05 2.79 3.00 -1.26 -1.07 116.66 124.89 1htt n ARG 9 Ca 0.16 0.34 -0.02 0.00 -0.00 0.00 0.00 57.85 58.34 1htt n ARG 9 Cb 0.37 -1.84 -0.01 0.00 0.00 0.00 0.00 32.46 30.98 1htt n ARG 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1htt n GLY 10 N 2.07 0.54 3.07 5.14 0.00 -1.26 -4.80 105.19 109.94 1htt n GLY 10 Ca 0.17 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 1htt n GLY 10 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1htt s MET 11 N -1.42 2.60 0.08 1.61 -1.94 -0.23 -1.42 119.30 118.58 1htt s MET 11 Ca 0.00 -0.74 -0.07 0.00 -1.71 0.00 0.00 55.69 53.17 1htt s MET 11 Cb 0.00 -2.38 -0.05 0.00 2.01 0.00 0.00 34.83 34.41 1htt s MET 11 CO 0.00 -0.25 0.35 -0.80 -0.01 0.00 0.00 175.02 174.31 1htt s ASN 12 N 1.37 6.53 -0.03 3.03 0.01 -1.26 -4.63 114.94 119.97 1htt s ASN 12 Ca 0.04 0.63 -0.06 0.00 -0.71 0.00 0.00 52.86 52.77 1htt s ASN 12 Cb -0.13 -2.11 -0.04 0.00 0.41 0.00 0.00 41.25 39.37 1htt s ASN 12 CO -0.11 0.15 0.21 -1.81 -1.51 0.00 0.00 177.10 174.03 1htt s ASP 13 N -2.02 6.44 -0.27 -1.22 1.01 -1.26 -5.08 116.67 114.27 1htt s ASP 13 Ca 0.34 0.48 0.01 0.00 0.71 0.00 0.00 52.55 54.09 1htt s ASP 13 Cb -0.13 -2.06 0.05 0.00 1.01 0.00 0.00 42.92 41.79 1htt s ASP 13 CO 0.20 0.30 -0.07 -0.31 0.21 0.00 0.00 175.17 175.50 1htt s TYR 14 N -1.23 3.23 0.79 4.23 2.02 -1.26 -5.10 117.35 120.03 1htt s TYR 14 Ca 0.24 -2.08 -0.11 0.00 -0.37 0.00 0.00 57.07 54.75 1htt s TYR 14 Cb -0.13 -2.00 0.07 0.00 -0.40 0.00 0.00 41.96 39.50 1htt s TYR 14 CO 0.14 -0.84 1.10 -0.51 -1.57 0.00 0.00 175.55 173.87 1htt s LEU 15 N 1.18 2.62 0.27 -1.29 2.01 -1.26 -4.71 118.68 117.50 1htt s LEU 15 Ca -0.06 1.30 -0.00 0.00 0.01 0.00 0.00 54.13 55.37 1htt s LEU 15 Cb -0.19 -3.92 0.63 0.00 0.01 0.00 0.00 46.19 42.71 1htt s LEU 15 CO -0.04 -1.93 1.67 1.55 1.01 0.00 0.00 176.35 178.61 1htt h PRO 16 N -1.06 0.25 -0.69 1.29 0.13 -1.99 -0.78 132.00 129.15 1htt h PRO 16 Ca -0.47 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.68 1htt h PRO 16 Cb 1.27 -0.06 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1htt h PRO 16 CO 0.59 0.16 0.43 0.78 -0.23 0.00 0.00 178.00 179.74 1htt h GLY 17 N 0.26 1.01 1.50 1.56 0.00 -2.02 -2.85 103.07 102.53 1htt h GLY 17 Ca 0.51 -0.32 -0.14 0.00 0.00 0.00 0.00 47.33 47.38 1htt h GLY 17 CO -0.59 0.26 -0.96 -2.09 0.00 0.00 0.00 176.54 173.15 1htt h GLU 18 N 0.82 0.00 -0.11 4.80 4.57 -1.70 -3.29 114.58 119.68 1htt h GLU 18 Ca 0.29 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.33 1htt h GLU 18 Cb 0.05 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1htt h GLU 18 CO -0.12 0.41 -0.54 1.79 -1.18 0.00 0.00 179.01 179.37 1htt h THR 19 N 0.00 1.35 -0.71 0.32 1.35 -0.95 -2.34 112.91 111.93 1htt h THR 19 Ca -0.08 -1.82 0.15 0.00 -0.55 0.00 0.00 66.41 64.12 1htt h THR 19 Cb 1.48 1.86 -0.11 0.00 -1.73 0.00 0.00 68.15 69.65 1htt h THR 19 CO 0.06 0.55 0.12 0.00 -0.25 0.00 0.00 175.52 175.99 1htt h ALA 20 N 1.18 0.86 -0.43 6.62 0.00 -1.58 0.17 119.26 126.08 1htt h ALA 20 Ca 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1htt h ALA 20 Cb 1.03 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1htt h ALA 20 CO 0.09 -0.36 0.10 0.82 0.00 0.00 0.00 179.25 179.90 1htt h ILE 21 N 0.22 1.23 -0.54 0.00 1.08 -1.61 -2.83 117.51 115.06 1htt h ILE 21 Ca 0.39 -0.80 0.06 0.00 -0.39 0.00 0.00 64.86 64.12 1htt h ILE 21 Cb 0.67 0.94 -0.05 0.00 -3.07 0.00 0.00 36.82 35.31 1htt h ILE 21 CO -0.53 0.28 0.25 -0.50 -0.69 0.00 0.00 178.15 176.97 1htt h TRP 22 N 0.55 0.46 0.00 1.37 4.06 -0.69 -1.58 115.95 120.12 1htt h TRP 22 Ca 0.13 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 61.07 1htt h TRP 22 Cb 0.32 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.35 1htt h TRP 22 CO 0.02 0.20 -0.18 -0.56 -3.56 0.00 0.00 178.44 174.35 1htt h GLN 23 N 0.48 0.00 -0.20 0.49 3.07 -0.64 -1.31 115.11 117.00 1htt h GLN 23 Ca 0.25 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.83 1htt h GLN 23 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.76 1htt h GLN 23 CO -0.20 0.18 -0.49 -0.09 0.09 0.00 0.00 178.83 178.33 1htt h ARG 24 N 0.00 0.68 -0.36 0.06 2.43 -1.06 -2.47 114.38 113.66 1htt h ARG 24 Ca -0.00 -0.47 -0.14 0.00 -0.81 0.00 0.00 59.98 58.56 1htt h ARG 24 Cb 0.56 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1htt h ARG 24 CO 0.02 1.09 -0.34 0.82 -1.51 0.00 0.00 179.97 180.06 1htt h ILE 25 N 0.38 1.28 -0.58 1.20 2.04 -1.06 -2.90 117.51 117.87 1htt h ILE 25 Ca -0.01 -1.50 -0.10 0.00 1.00 0.00 0.00 64.86 64.25 1htt h ILE 25 Cb 1.11 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 1htt h ILE 25 CO 0.11 0.50 -0.04 -0.33 0.00 0.00 0.00 178.15 178.39 1htt h GLU 26 N 0.68 1.04 -0.86 2.37 5.08 -1.27 -2.11 114.58 119.52 1htt h GLU 26 Ca 0.07 -0.34 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1htt h GLU 26 Cb 0.89 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 1htt h GLU 26 CO 0.08 1.04 0.57 0.78 -1.00 0.00 0.00 179.01 180.48 1htt h GLY 27 N 0.98 1.21 0.98 -3.84 0.00 -1.38 -0.49 103.07 100.53 1htt h GLY 27 Ca 0.16 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 1htt h GLY 27 CO 0.04 0.44 0.19 -0.84 0.00 0.00 0.00 176.54 176.37 1htt h THR 28 N 1.16 1.22 -0.50 4.70 2.02 -1.29 -1.51 112.91 118.71 1htt h THR 28 Ca 0.32 -0.71 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 1htt h THR 28 Cb -0.13 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1htt h THR 28 CO -0.07 0.27 0.11 -0.07 0.37 0.00 0.00 175.52 176.13 1htt h LEU 29 N 0.70 0.77 -0.98 2.58 3.38 -0.65 -1.68 115.31 119.43 1htt h LEU 29 Ca 0.17 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1htt h LEU 29 Cb 0.23 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1htt h LEU 29 CO -0.01 0.81 -0.01 0.50 0.09 0.00 0.00 178.44 179.82 1htt h LYS 30 N 0.70 0.72 -0.08 1.13 3.64 -1.01 -1.13 116.57 120.53 1htt h LYS 30 Ca 0.16 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1htt h LYS 30 Cb 0.35 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1htt h LYS 30 CO 0.00 0.74 -0.03 -0.97 -2.27 0.00 0.00 179.45 176.93 1htt h ASN 31 N 0.68 0.16 0.12 4.20 -1.24 -0.96 -1.36 115.58 117.18 1htt h ASN 31 Ca 0.13 -0.38 -0.03 0.00 0.71 0.00 0.00 56.30 56.73 1htt h ASN 31 Cb 0.44 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 1htt h ASN 31 CO 0.02 0.51 -0.14 0.58 -1.29 0.00 0.00 177.43 177.11 1htt h VAL 32 N -0.18 1.11 -0.22 2.57 2.07 -0.88 -0.86 116.25 119.86 1htt h VAL 32 Ca 0.02 -0.52 -0.11 0.00 0.82 0.00 0.00 66.70 66.91 1htt h VAL 32 Cb 0.44 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1htt h VAL 32 CO 0.01 0.15 -0.30 -0.07 0.02 0.00 0.00 177.57 177.38 1htt h LEU 33 N 0.03 0.64 -1.25 2.57 3.38 -1.10 -3.09 115.31 116.49 1htt h LEU 33 Ca 0.01 -0.51 0.07 0.00 0.09 0.00 0.00 57.88 57.54 1htt h LEU 33 Cb 0.26 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1htt h LEU 33 CO 0.02 1.02 0.55 1.23 0.09 0.00 0.00 178.44 181.34 1htt h GLY 34 N 0.27 1.18 2.00 0.83 0.00 -0.47 -1.82 103.07 105.06 1htt h GLY 34 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1htt h GLY 34 CO 0.07 0.25 0.00 1.48 0.00 0.00 0.00 176.54 178.34 1htt h SER 35 N 0.89 0.00 -0.01 0.19 4.64 -1.10 -0.08 113.55 118.08 1htt h SER 35 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1htt h SER 35 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1htt h SER 35 CO -0.14 0.00 -0.04 -1.22 -0.87 0.00 0.00 176.83 174.56 1htt n TYR 36 N -2.64 0.00 -1.27 4.77 4.02 -0.70 -4.99 117.16 116.35 1htt n TYR 36 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1htt n TYR 36 Cb 0.21 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 1htt n TYR 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1htt n GLY 37 N 1.27 0.42 3.75 2.72 0.00 -0.04 -5.04 105.19 108.26 1htt n GLY 37 Ca 0.16 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 1htt n GLY 37 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1htt s TYR 38 N -2.00 3.67 0.18 1.61 1.51 -1.15 -4.88 117.35 116.29 1htt s TYR 38 Ca 0.00 1.29 -0.04 0.00 -1.01 0.00 0.00 57.07 57.30 1htt s TYR 38 Cb 0.00 -2.72 -0.05 0.00 -0.11 0.00 0.00 41.96 39.08 1htt s TYR 38 CO 0.00 0.27 0.41 -1.12 -1.11 0.00 0.00 175.55 174.00 1htt s SER 39 N 0.08 6.48 0.27 2.29 0.01 -0.56 -4.54 113.70 117.73 1htt s SER 39 Ca 0.35 0.59 -0.22 0.00 1.31 0.00 0.00 55.95 57.98 1htt s SER 39 Cb -0.19 -2.09 -0.09 0.00 0.21 0.00 0.00 66.02 63.86 1htt s SER 39 CO 0.19 -0.01 0.81 -0.70 0.41 0.00 0.00 173.24 173.94 1htt s GLU 40 N -2.90 4.35 -0.01 12.44 2.12 -1.26 -1.18 118.70 132.25 1htt s GLU 40 Ca 0.41 1.02 0.04 0.00 0.36 0.00 0.00 54.97 56.80 1htt s GLU 40 Cb -0.12 -2.80 -0.01 0.00 0.26 0.00 0.00 34.13 31.46 1htt s GLU 40 CO 0.26 0.33 -0.12 -1.50 -0.54 0.00 0.00 175.26 173.69 1htt s ILE 41 N -1.61 0.94 -0.12 -3.70 2.07 -0.62 -4.87 121.20 113.28 1htt s ILE 41 Ca 0.47 -0.53 0.02 0.00 -1.41 0.00 0.00 60.65 59.20 1htt s ILE 41 Cb -0.17 -0.79 -0.01 0.00 0.13 0.00 0.00 42.46 41.63 1htt s ILE 41 CO 0.21 0.25 -0.19 -0.13 -1.91 0.00 0.00 174.94 173.18 1htt s ARG 42 N -0.31 3.20 0.10 3.50 0.52 -1.26 -4.51 118.95 120.18 1htt s ARG 42 Ca 0.04 -0.79 0.07 0.00 -0.52 0.00 0.00 55.73 54.53 1htt s ARG 42 Cb -0.05 -2.48 -0.03 0.00 0.52 0.00 0.00 34.95 32.91 1htt s ARG 42 CO -0.00 0.16 -0.17 -0.51 0.02 0.00 0.00 175.30 174.80 1htt s LEU 43 N 0.44 2.33 0.59 2.53 1.43 -1.26 -5.13 118.68 119.61 1htt s LEU 43 Ca -0.13 -0.71 -0.20 0.00 -1.03 0.00 0.00 54.13 52.06 1htt s LEU 43 Cb -0.17 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 1htt s LEU 43 CO 0.06 -0.05 1.15 -2.65 0.23 0.00 0.00 176.35 175.09 1htt n PRO 44 N 0.93 1.20 0.09 1.29 -0.02 -1.26 -4.94 135.00 132.28 1htt n PRO 44 Ca -0.18 0.45 -0.07 0.00 -2.02 0.00 0.00 63.50 61.68 1htt n PRO 44 Cb 0.55 -2.36 0.01 0.00 -0.02 0.00 0.00 33.50 31.69 1htt n PRO 44 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1htt h ILE 45 N 0.83 1.52 -3.32 4.25 2.04 -1.96 -3.44 117.51 117.43 1htt h ILE 45 Ca -0.49 -2.65 -0.64 0.00 1.00 0.00 0.00 64.86 62.08 1htt h ILE 45 Cb 1.34 2.46 -0.23 0.00 -0.74 0.00 0.00 36.82 39.64 1htt h ILE 45 CO 0.53 0.77 -0.70 -0.69 0.00 0.00 0.00 178.15 178.06 1htt s VAL 46 N -3.21 3.63 0.45 1.67 1.01 -1.26 -1.61 120.40 121.06 1htt s VAL 46 Ca -0.02 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1htt s VAL 46 Cb 0.11 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 1htt s VAL 46 CO 0.81 0.49 0.08 -1.61 0.00 0.00 0.00 175.10 174.87 1htt s GLU 47 N 0.47 2.03 0.16 2.72 0.41 -0.76 -4.97 118.70 118.76 1htt s GLU 47 Ca -0.05 -2.26 -0.30 0.00 -0.41 0.00 0.00 54.97 51.95 1htt s GLU 47 Cb -0.15 -1.00 -0.07 0.00 -1.78 0.00 0.00 34.13 31.14 1htt s GLU 47 CO 0.03 -0.42 1.11 -0.65 -0.49 0.00 0.00 175.26 174.84 1htt s GLN 48 N -3.78 4.57 0.37 1.61 -0.21 -1.26 -1.19 119.66 119.78 1htt s GLN 48 Ca 0.17 1.71 0.11 0.00 0.02 0.00 0.00 55.36 57.38 1htt s GLN 48 Cb 0.02 -3.29 0.88 0.00 1.00 0.00 0.00 33.01 31.63 1htt s GLN 48 CO 0.10 0.04 1.87 1.15 -2.12 0.00 0.00 175.29 176.33 1htt h THR 49 N 3.84 0.80 -0.55 -0.19 2.02 -1.80 -2.24 112.91 114.79 1htt h THR 49 Ca -0.44 -0.21 0.10 0.00 0.77 0.00 0.00 66.41 66.63 1htt h THR 49 Cb 1.21 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1htt h THR 49 CO 0.73 0.11 0.37 1.55 0.37 0.00 0.00 175.52 178.66 1htt h PRO 50 N 0.62 0.33 -0.68 6.66 0.13 -1.93 -1.62 132.00 135.52 1htt h PRO 50 Ca 0.45 -0.02 0.06 0.00 -0.87 0.00 0.00 66.00 65.62 1htt h PRO 50 Cb 0.81 -0.07 -0.06 0.00 0.13 0.00 0.00 31.00 31.81 1htt h PRO 50 CO -0.20 0.22 0.37 1.25 -0.23 0.00 0.00 178.00 179.42 1htt h LEU 51 N 0.34 0.55 -0.07 1.56 6.46 -1.81 0.26 115.31 122.61 1htt h LEU 51 Ca 0.26 0.03 -0.25 0.00 -0.12 0.00 0.00 57.88 57.80 1htt h LEU 51 Cb 0.55 -0.08 0.01 0.00 -0.73 0.00 0.00 40.66 40.42 1htt h LEU 51 CO -0.06 0.35 -1.03 -0.26 -0.62 0.00 0.00 178.44 176.82 1htt h PHE 52 N 0.69 0.78 -0.53 1.25 0.04 -1.45 -0.37 116.94 117.35 1htt h PHE 52 Ca 0.31 -0.44 -0.05 0.00 2.80 0.00 0.00 57.97 60.59 1htt h PHE 52 Cb 0.20 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 1htt h PHE 52 CO -0.08 1.28 0.15 0.87 -0.60 0.00 0.00 178.31 179.93 1htt h LYS 53 N 0.27 0.83 -0.01 1.51 1.57 -1.13 0.99 116.57 120.61 1htt h LYS 53 Ca -0.11 -0.19 -0.25 0.00 -1.87 0.00 0.00 60.65 58.23 1htt h LYS 53 Cb 1.68 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 33.89 1htt h LYS 53 CO 0.19 0.77 -0.99 -0.09 -0.57 0.00 0.00 179.45 178.76 1htt h ARG 54 N 0.73 0.59 0.00 3.15 2.43 -0.43 -2.96 114.38 117.89 1htt h ARG 54 Ca 0.17 -0.63 -0.05 0.00 -0.81 0.00 0.00 59.98 58.66 1htt h ARG 54 Cb 0.30 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1htt h ARG 54 CO -0.00 1.24 -0.31 0.00 -1.51 0.00 0.00 179.97 179.38 1htt h ALA 55 N 0.55 0.06 -0.05 2.80 0.00 -1.06 -3.40 119.26 118.15 1htt h ALA 55 Ca -0.11 -0.54 -0.20 0.00 0.00 0.00 0.00 54.91 54.06 1htt h ALA 55 Cb 1.64 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 1htt h ALA 55 CO 0.19 0.19 -0.80 0.82 0.00 0.00 0.00 179.25 179.65 1htt h ILE 56 N -1.00 1.39 0.00 0.00 2.04 -0.96 -3.41 117.51 115.57 1htt h ILE 56 Ca -0.07 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.54 1htt h ILE 56 Cb 0.81 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 1htt h ILE 56 CO -0.04 0.68 0.00 0.61 0.00 0.00 0.00 178.15 179.39 1htt n GLY 57 N 0.70 3.48 0.28 5.37 0.00 -1.12 -1.50 105.19 112.39 1htt n GLY 57 Ca -0.05 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.47 1htt n GLY 57 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1htt h GLU 58 N 0.00 0.89 -2.93 1.61 5.08 -1.90 -3.25 114.58 114.08 1htt h GLU 58 Ca 0.00 -0.36 -0.78 0.00 -1.00 0.00 0.00 59.36 57.21 1htt h GLU 58 Cb 0.00 -0.04 -0.21 0.00 0.50 0.00 0.00 28.75 29.00 1htt h GLU 58 CO 0.00 1.01 1.50 1.33 -1.00 0.00 0.00 179.01 181.85 1htt n VAL 59 N -4.11 5.15 -4.01 3.13 0.24 -1.26 -3.97 118.33 113.50 1htt n VAL 59 Ca 0.00 -5.19 -0.11 0.00 -2.04 0.00 0.00 64.34 57.00 1htt n VAL 59 Cb 0.44 -2.07 -0.11 0.00 -1.47 0.00 0.00 33.84 30.63 1htt n VAL 59 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1htt s THR 60 N -1.80 0.25 0.50 3.34 -4.23 -1.23 -5.01 115.64 107.46 1htt s THR 60 Ca 0.39 -0.92 0.16 0.00 -1.18 0.00 0.00 61.69 60.14 1htt s THR 60 Cb 0.11 -0.36 0.25 0.00 1.34 0.00 0.00 72.50 73.84 1htt s THR 60 CO 0.00 -0.43 2.11 0.44 -0.54 0.00 0.00 174.62 176.20 1htt h ASP 61 N 4.68 0.00 0.44 3.99 5.19 -1.90 0.53 116.42 129.34 1htt h ASP 61 Ca -0.33 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.06 1htt h ASP 61 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1htt h ASP 61 CO 0.41 0.05 -0.21 0.58 -3.12 0.00 0.00 179.24 176.95 1htt h VAL 62 N 0.00 0.55 0.02 -1.35 2.07 -1.93 0.07 116.25 115.69 1htt h VAL 62 Ca -0.00 -0.25 -0.11 0.00 0.82 0.00 0.00 66.70 67.16 1htt h VAL 62 Cb 0.09 0.67 0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1htt h VAL 62 CO 0.01 0.05 -0.44 0.58 0.02 0.00 0.00 177.57 177.79 1htt h VAL 63 N -0.74 1.53 -0.88 2.57 2.07 -1.69 0.24 116.25 119.35 1htt h VAL 63 Ca -0.06 -2.13 0.14 0.00 0.82 0.00 0.00 66.70 65.47 1htt h VAL 63 Cb 0.53 2.85 -0.09 0.00 -1.52 0.00 0.00 31.29 33.05 1htt h VAL 63 CO 0.10 0.59 0.49 -0.33 0.02 0.00 0.00 177.57 178.44 1htt h GLU 64 N -0.40 0.70 0.00 1.57 5.08 -0.03 -3.38 114.58 118.11 1htt h GLU 64 Ca -0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1htt h GLU 64 Cb 1.21 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1htt h GLU 64 CO 0.08 0.46 0.00 0.36 -1.00 0.00 0.00 179.01 178.92 1htt n LYS 65 N -4.80 0.00 -0.00 2.33 2.85 -0.01 -4.97 118.16 113.55 1htt n LYS 65 Ca 0.17 -0.16 0.05 0.00 -1.05 0.00 0.00 58.31 57.32 1htt n LYS 65 Cb 0.41 -0.38 -0.07 0.00 -0.65 0.00 0.00 35.03 34.34 1htt n LYS 65 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1htt n GLU 66 N 0.00 0.31 -2.34 -1.58 1.02 0.06 -4.83 120.64 113.28 1htt n GLU 66 Ca 0.00 -0.09 -0.35 0.00 -0.02 0.00 0.00 57.16 56.71 1htt n GLU 66 Cb 0.36 -1.23 -0.01 0.00 -0.02 0.00 0.00 31.44 30.54 1htt n GLU 66 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1htt s MET 67 N -2.67 3.49 -0.55 3.49 -1.94 -1.10 -0.37 119.30 119.65 1htt s MET 67 Ca -0.04 1.53 -0.16 0.00 -1.71 0.00 0.00 55.69 55.32 1htt s MET 67 Cb 0.06 -2.03 0.13 0.00 2.01 0.00 0.00 34.83 35.00 1htt s MET 67 CO 0.40 -0.72 0.51 0.71 -0.01 0.00 0.00 175.02 175.90 1htt s TYR 68 N -1.85 3.29 0.10 -0.03 1.51 -1.26 -4.78 117.35 114.33 1htt s TYR 68 Ca 0.71 -1.36 0.05 0.00 -1.01 0.00 0.00 57.07 55.46 1htt s TYR 68 Cb -0.21 -3.78 -0.04 0.00 -0.11 0.00 0.00 41.96 37.81 1htt s TYR 68 CO 0.25 -1.02 0.01 0.99 -1.11 0.00 0.00 175.55 174.67 1htt s THR 69 N 1.51 4.04 0.20 -0.71 2.01 -1.26 -1.37 115.64 120.06 1htt s THR 69 Ca 0.04 -1.03 -0.21 0.00 0.31 0.00 0.00 61.69 60.80 1htt s THR 69 Cb -0.29 -2.95 0.05 0.00 0.01 0.00 0.00 72.50 69.32 1htt s THR 69 CO 0.02 0.08 0.62 0.72 -0.69 0.00 0.00 174.62 175.37 1htt s PHE 70 N -1.38 -0.35 -0.19 4.92 -0.71 0.21 -4.99 117.98 115.50 1htt s PHE 70 Ca 0.26 0.04 -0.08 0.00 -1.04 0.00 0.00 56.93 56.11 1htt s PHE 70 Cb -0.11 0.57 -0.04 0.00 -1.21 0.00 0.00 43.02 42.22 1htt s PHE 70 CO 0.19 -0.98 0.07 -2.00 -1.34 0.00 0.00 175.22 171.16 1htt s GLU 71 N -3.83 3.99 0.65 1.99 2.12 -1.26 -1.03 118.70 121.34 1htt s GLU 71 Ca 0.06 -0.33 -0.11 0.00 0.36 0.00 0.00 54.97 54.94 1htt s GLU 71 Cb -0.02 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.11 1htt s GLU 71 CO -0.05 0.26 1.05 0.34 -0.54 0.00 0.00 175.26 176.33 1htt s ASP 72 N 0.40 5.90 0.00 -1.70 2.15 0.12 -4.91 116.67 118.63 1htt s ASP 72 Ca 0.04 1.36 0.00 0.00 0.43 0.00 0.00 52.55 54.37 1htt s ASP 72 Cb -0.12 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1htt s ASP 72 CO 0.00 -1.08 0.01 0.54 -0.17 0.00 0.00 175.17 174.48 1htt n ARG 73 N -2.87 0.02 -0.83 4.34 1.74 -1.26 -0.93 116.66 116.86 1htt n ARG 73 Ca 0.06 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.16 1htt n ARG 73 Cb 0.55 -1.00 0.01 0.00 -1.02 0.00 0.00 32.46 30.99 1htt n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1htt n ASN 74 N -0.16 0.33 0.00 0.55 5.15 -1.26 -5.00 115.26 114.87 1htt n ASN 74 Ca 0.00 -1.99 0.00 0.00 -0.60 0.00 0.00 54.58 51.99 1htt n ASN 74 Cb 0.00 -0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.02 1htt n ASN 74 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1htt n GLY 75 N 0.17 2.56 3.68 8.20 0.00 -0.11 -4.99 105.19 114.70 1htt n GLY 75 Ca 0.02 -0.07 -0.45 0.00 0.00 0.00 0.00 46.02 45.52 1htt n GLY 75 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1htt n ASP 76 N 0.76 3.24 -4.75 1.61 9.92 -1.26 -4.50 116.55 121.56 1htt n ASP 76 Ca 0.00 1.09 -0.39 0.00 -0.53 0.00 0.00 54.79 54.96 1htt n ASP 76 Cb 0.00 -1.46 -0.05 0.00 -0.64 0.00 0.00 41.12 38.97 1htt n ASP 76 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1htt s SER 77 N 0.86 7.07 0.04 -2.24 0.15 -1.26 0.11 113.70 118.43 1htt s SER 77 Ca 0.76 1.28 0.07 0.00 0.70 0.00 0.00 55.95 58.76 1htt s SER 77 Cb -0.64 -2.41 -0.02 0.00 -1.71 0.00 0.00 66.02 61.24 1htt s SER 77 CO 0.39 0.05 -0.20 -0.76 1.20 0.00 0.00 173.24 173.91 1htt s LEU 78 N -0.03 2.15 -0.02 3.45 1.02 -0.20 -2.64 118.68 122.41 1htt s LEU 78 Ca 0.35 -0.50 0.02 0.00 0.02 0.00 0.00 54.13 54.01 1htt s LEU 78 Cb -0.19 -0.96 0.01 0.00 0.02 0.00 0.00 46.19 45.06 1htt s LEU 78 CO 0.19 0.16 -0.06 -0.89 0.02 0.00 0.00 176.35 175.77 1htt s THR 79 N -0.77 0.58 0.11 5.49 2.01 -0.33 -0.62 115.64 122.11 1htt s THR 79 Ca 0.07 -0.25 -0.31 0.00 0.31 0.00 0.00 61.69 61.51 1htt s THR 79 Cb -0.09 -0.53 -0.08 0.00 0.01 0.00 0.00 72.50 71.81 1htt s THR 79 CO 0.01 0.19 1.41 -0.76 -0.69 0.00 0.00 174.62 174.79 1htt s LEU 80 N 0.24 4.37 0.33 4.42 1.02 -0.47 -1.84 118.68 126.75 1htt s LEU 80 Ca -0.03 2.34 -0.29 0.00 0.02 0.00 0.00 54.13 56.18 1htt s LEU 80 Cb -0.08 -3.59 -0.11 0.00 0.02 0.00 0.00 46.19 42.44 1htt s LEU 80 CO 0.00 -0.67 1.41 0.00 0.02 0.00 0.00 176.35 177.11 1htt s ARG 81 N 1.19 4.24 -0.02 1.70 1.70 -0.64 -4.37 118.95 122.77 1htt s ARG 81 Ca 0.65 2.37 0.22 0.00 -0.47 0.00 0.00 55.73 58.50 1htt s ARG 81 Cb -0.37 -3.04 -0.30 0.00 -0.57 0.00 0.00 34.95 30.67 1htt s ARG 81 CO 0.30 -0.38 0.59 -0.35 -1.08 0.00 0.00 175.30 174.38 1htt n PRO 82 N 1.09 0.53 -3.86 3.89 -0.04 -1.25 -0.23 135.00 135.13 1htt n PRO 82 Ca 0.02 -0.15 -0.09 0.00 -0.04 0.00 0.00 63.50 63.25 1htt n PRO 82 Cb 0.40 -1.53 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 1htt n PRO 82 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1htt s GLU 83 N -3.41 1.53 0.00 0.54 4.04 -1.26 -4.54 118.70 115.59 1htt s GLU 83 Ca -0.05 -1.04 0.09 0.00 0.04 0.00 0.00 54.97 54.02 1htt s GLU 83 Cb 0.14 0.52 -0.08 0.00 0.02 0.00 0.00 34.13 34.74 1htt s GLU 83 CO 0.90 -0.66 0.43 0.41 -1.84 0.00 0.00 175.26 174.49 1htt n GLY 84 N -0.38 0.10 0.19 -3.83 0.00 -1.26 -4.65 105.19 95.36 1htt n GLY 84 Ca -0.06 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.64 1htt n GLY 84 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1htt h THR 85 N 0.23 1.11 -0.39 2.61 2.02 -1.99 -0.63 112.91 115.85 1htt h THR 85 Ca 0.00 -0.20 0.04 0.00 0.77 0.00 0.00 66.41 67.02 1htt h THR 85 Cb 0.23 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 1htt h THR 85 CO 0.00 0.11 0.15 0.00 0.37 0.00 0.00 175.52 176.15 1htt h ALA 86 N 1.17 0.47 -0.60 6.16 0.00 -1.96 -0.59 119.26 123.91 1htt h ALA 86 Ca 0.16 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1htt h ALA 86 Cb -0.06 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1htt h ALA 86 CO -0.04 -0.23 0.37 0.78 0.00 0.00 0.00 179.25 180.13 1htt h GLY 87 N 0.33 0.85 0.56 0.00 0.00 -1.75 -0.32 103.07 102.74 1htt h GLY 87 Ca 0.18 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1htt h GLY 87 CO -0.16 0.33 -0.05 0.00 0.00 0.00 0.00 176.54 176.65 1htt h VAL 89 N -0.59 0.96 -0.43 0.00 2.07 -0.88 -0.47 116.25 116.92 1htt h VAL 89 Ca -0.01 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.39 1htt h VAL 89 Cb 0.47 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1htt h VAL 89 CO 0.02 0.10 0.12 -0.09 0.02 0.00 0.00 177.57 177.74 1htt h ARG 90 N 0.52 0.26 -0.30 1.57 2.43 -1.10 0.08 114.38 117.84 1htt h ARG 90 Ca 0.23 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.29 1htt h ARG 90 Cb 0.13 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1htt h ARG 90 CO -0.15 0.17 -0.22 0.00 -1.51 0.00 0.00 179.97 178.25 1htt h ALA 91 N 1.30 1.06 -0.03 2.80 0.00 -0.94 0.06 119.26 123.52 1htt h ALA 91 Ca 0.21 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1htt h ALA 91 Cb 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1htt h ALA 91 CO -0.24 0.57 0.01 0.78 0.00 0.00 0.00 179.25 180.37 1htt h GLY 92 N 1.00 0.04 0.98 0.00 0.00 -0.59 -0.08 103.07 104.43 1htt h GLY 92 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 1htt h GLY 92 CO 0.05 0.02 -0.11 -2.22 0.00 0.00 0.00 176.54 174.28 1htt h ILE 93 N -0.15 0.78 -0.85 2.60 2.04 -0.92 -0.14 117.51 120.88 1htt h ILE 93 Ca 0.01 -0.04 0.12 0.00 1.00 0.00 0.00 64.86 65.94 1htt h ILE 93 Cb 0.20 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 1htt h ILE 93 CO -0.00 0.01 0.55 -0.08 0.00 0.00 0.00 178.15 178.63 1htt h GLU 94 N -0.33 0.71 0.00 2.37 4.81 -0.96 -2.81 114.58 118.37 1htt h GLU 94 Ca -0.03 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1htt h GLU 94 Cb 0.25 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1htt h GLU 94 CO 0.05 0.47 -1.11 0.72 -0.73 0.00 0.00 179.01 178.41 1htt n HIS 95 N -4.53 0.04 -0.48 0.92 8.25 -0.05 -4.98 115.22 114.40 1htt n HIS 95 Ca 0.15 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1htt n HIS 95 Cb 0.38 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.32 1htt n HIS 95 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1htt n GLY 96 N 1.44 0.80 0.06 -1.41 0.00 -0.64 -5.00 105.19 100.45 1htt n GLY 96 Ca 0.03 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.71 1htt n GLY 96 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1htt n LEU 97 N 0.00 0.67 -0.10 0.99 4.77 -0.16 -4.43 117.00 118.74 1htt n LEU 97 Ca 0.00 0.26 -0.11 0.00 -0.03 0.00 0.00 56.01 56.13 1htt n LEU 97 Cb 0.02 -0.22 -0.15 0.00 -2.33 0.00 0.00 43.42 40.75 1htt n LEU 97 CO 0.00 -0.05 -1.16 0.18 -1.33 0.00 0.00 177.39 175.03 1htt n LEU 98 N -2.04 0.54 -4.67 2.23 4.77 -1.24 -4.70 117.00 111.89 1htt n LEU 98 Ca 0.04 -0.02 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 1htt n LEU 98 Cb 0.42 0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.72 1htt n LEU 98 CO 0.35 0.56 1.19 -0.47 -1.33 0.00 0.00 177.39 177.69 1htt s TYR 99 N -2.47 2.59 -1.48 -1.77 5.04 -1.26 -2.46 117.35 115.54 1htt s TYR 99 Ca -0.14 0.67 -0.07 0.00 -2.44 0.00 0.00 57.07 55.09 1htt s TYR 99 Cb 0.06 -3.70 0.03 0.00 0.35 0.00 0.00 41.96 38.70 1htt s TYR 99 CO 0.75 -2.70 0.72 0.09 -1.34 0.00 0.00 175.55 173.07 1htt n ASN 100 N 6.17 -5.61 -4.17 4.32 3.02 -1.26 -4.98 115.26 112.75 1htt n ASN 100 Ca 0.15 -0.39 -0.11 0.00 -0.03 0.00 0.00 54.58 54.19 1htt n ASN 100 Cb 0.44 -4.52 -0.10 0.00 -0.61 0.00 0.00 39.78 34.99 1htt n ASN 100 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1htt s GLN 101 N -5.95 0.87 -0.11 3.52 -0.21 -1.03 -5.14 119.66 111.61 1htt s GLN 101 Ca 0.40 -1.37 -0.00 0.00 0.02 0.00 0.00 55.36 54.41 1htt s GLN 101 Cb -0.19 -0.13 -0.02 0.00 1.00 0.00 0.00 33.01 33.67 1htt s GLN 101 CO 0.50 -0.07 -0.11 -2.00 -2.12 0.00 0.00 175.29 171.49 1htt s GLU 102 N -3.88 3.20 -0.03 2.91 2.12 -1.26 -4.15 118.70 117.61 1htt s GLU 102 Ca 0.15 -0.64 0.02 0.00 0.36 0.00 0.00 54.97 54.86 1htt s GLU 102 Cb 0.06 -2.64 0.01 0.00 0.26 0.00 0.00 34.13 31.82 1htt s GLU 102 CO -0.03 0.35 -0.06 -0.65 -0.54 0.00 0.00 175.26 174.33 1htt s GLN 103 N 0.00 0.73 -0.28 4.30 -1.52 -0.50 -4.98 119.66 117.42 1htt s GLN 103 Ca -0.03 -0.18 0.03 0.00 -1.95 0.00 0.00 55.36 53.23 1htt s GLN 103 Cb -0.14 -0.72 0.07 0.00 -0.22 0.00 0.00 33.01 32.00 1htt s GLN 103 CO 0.04 0.04 -0.06 1.03 -0.25 0.00 0.00 175.29 176.08 1htt s ARG 104 N 0.39 1.96 0.18 2.91 3.00 -1.26 -1.72 118.95 124.41 1htt s ARG 104 Ca -0.05 -1.44 0.05 0.00 0.00 0.00 0.00 55.73 54.29 1htt s ARG 104 Cb -0.09 -2.92 -0.05 0.00 0.00 0.00 0.00 34.95 31.89 1htt s ARG 104 CO 0.00 -0.67 -0.08 -0.51 0.00 0.00 0.00 175.30 174.04 1htt s LEU 105 N 1.09 2.43 0.16 2.53 1.43 -0.81 -1.49 118.68 124.03 1htt s LEU 105 Ca -0.03 -1.08 -0.09 0.00 -1.03 0.00 0.00 54.13 51.90 1htt s LEU 105 Cb -0.20 -0.36 -0.01 0.00 0.03 0.00 0.00 46.19 45.65 1htt s LEU 105 CO -0.06 -0.37 0.28 -1.66 0.23 0.00 0.00 176.35 174.77 1htt s TRP 106 N -3.31 0.42 -0.03 0.29 1.48 -0.33 -1.88 118.94 115.57 1htt s TRP 106 Ca 0.21 -0.78 -0.21 0.00 -1.06 0.00 0.00 56.10 54.26 1htt s TRP 106 Cb 0.03 -0.07 0.04 0.00 -1.16 0.00 0.00 33.47 32.31 1htt s TRP 106 CO 0.04 -0.72 0.45 1.52 -4.06 0.00 0.00 176.95 174.18 1htt s TYR 107 N -3.97 -0.37 -0.02 1.66 -0.85 -0.64 -1.59 117.35 111.57 1htt s TYR 107 Ca 0.18 0.62 0.02 0.00 -0.52 0.00 0.00 57.07 57.36 1htt s TYR 107 Cb 0.03 0.21 0.00 0.00 0.38 0.00 0.00 41.96 42.59 1htt s TYR 107 CO 0.00 -0.46 -0.07 -1.50 -1.52 0.00 0.00 175.55 172.01 1htt s ILE 108 N -1.21 0.58 -2.00 -3.49 1.10 -1.26 -1.45 121.20 113.46 1htt s ILE 108 Ca -0.12 -0.25 0.00 0.00 -0.51 0.00 0.00 60.65 59.77 1htt s ILE 108 Cb -0.03 -0.52 0.00 0.00 0.15 0.00 0.00 42.46 42.05 1htt s ILE 108 CO 0.06 0.19 0.00 0.61 -2.11 0.00 0.00 174.94 173.69 1htt n GLY 109 N 3.29 -1.70 3.80 1.50 0.00 -0.65 -4.99 105.19 106.44 1htt n GLY 109 Ca -0.18 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.40 1htt n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1htt s PRO 110 N -1.69 4.29 0.18 1.61 0.05 -1.26 -0.48 135.00 137.69 1htt s PRO 110 Ca 0.00 1.26 0.08 0.00 0.05 0.00 0.00 61.00 62.39 1htt s PRO 110 Cb 0.00 -2.41 -0.04 0.00 0.05 0.00 0.00 34.50 32.10 1htt s PRO 110 CO 0.00 0.01 -0.16 -1.64 0.05 0.00 0.00 177.00 175.26 1htt s MET 111 N -2.75 1.28 -0.05 4.56 -1.94 0.43 -4.89 119.30 115.94 1htt s MET 111 Ca 0.58 -1.47 0.03 0.00 -1.71 0.00 0.00 55.69 53.12 1htt s MET 111 Cb -0.14 -1.20 0.01 0.00 2.01 0.00 0.00 34.83 35.50 1htt s MET 111 CO 0.19 0.22 -0.12 -0.06 -0.01 0.00 0.00 175.02 175.24 1htt s PHE 112 N -2.46 1.36 -0.12 -0.03 0.40 0.69 -1.70 117.98 116.12 1htt s PHE 112 Ca 0.18 -0.45 -0.05 0.00 -0.60 0.00 0.00 56.93 56.01 1htt s PHE 112 Cb -0.03 -0.99 0.05 0.00 0.51 0.00 0.00 43.02 42.56 1htt s PHE 112 CO 0.06 -0.22 0.26 1.03 0.70 0.00 0.00 175.22 177.06 1htt s ARG 113 N 0.47 0.19 -1.12 0.44 0.52 0.01 -3.89 118.95 115.58 1htt s ARG 113 Ca -0.10 0.62 -0.20 0.00 -0.52 0.00 0.00 55.73 55.53 1htt s ARG 113 Cb -0.14 -0.09 -0.06 0.00 0.52 0.00 0.00 34.95 35.19 1htt s ARG 113 CO 0.03 -0.21 1.96 1.58 0.02 0.00 0.00 175.30 178.68 1htt n HIS 114 N 4.63 2.94 -4.28 -0.53 -0.00 0.51 -4.04 115.22 114.45 1htt n HIS 114 Ca -0.19 -2.15 -0.24 0.00 -0.00 0.00 0.00 57.72 55.15 1htt n HIS 114 Cb 0.52 -2.28 -0.07 0.00 -0.00 0.00 0.00 29.99 28.15 1htt n HIS 114 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1htt s GLU 115 N 4.86 2.31 -0.01 1.57 2.02 -1.26 -4.72 118.70 123.47 1htt s GLU 115 Ca 0.57 -1.36 -0.30 0.00 0.02 0.00 0.00 54.97 53.91 1htt s GLU 115 Cb 0.09 -2.20 -0.06 0.00 0.10 0.00 0.00 34.13 32.05 1htt s GLU 115 CO 0.07 0.38 1.65 0.50 0.02 0.00 0.00 175.26 177.89 1htt s ARG 116 N -3.53 4.19 0.13 1.61 3.00 -1.26 -4.69 118.95 118.39 1htt s ARG 116 Ca 0.30 2.24 -0.31 0.00 -1.00 0.00 0.00 55.73 56.96 1htt s ARG 116 Cb -0.07 -3.86 -0.09 0.00 0.00 0.00 0.00 34.95 30.93 1htt s ARG 116 CO 0.20 -0.80 1.56 -2.14 0.00 0.00 0.00 175.30 174.11 1htt s PRO 117 N 3.57 4.23 0.01 5.12 0.02 -1.26 -4.87 135.00 141.81 1htt s PRO 117 Ca 0.74 2.30 -0.09 0.00 0.02 0.00 0.00 61.00 63.96 1htt s PRO 117 Cb -0.35 -3.29 0.01 0.00 0.02 0.00 0.00 34.50 30.88 1htt s PRO 117 CO 0.31 -0.61 0.18 1.14 -0.33 0.00 0.00 177.00 177.69 1htt s GLN 118 N 1.55 0.57 0.08 5.54 -2.07 -1.10 -5.04 119.66 119.20 1htt s GLN 118 Ca 0.70 -0.43 -0.02 0.00 -1.82 0.00 0.00 55.36 53.78 1htt s GLN 118 Cb -0.41 0.24 0.14 0.00 -1.09 0.00 0.00 33.01 31.88 1htt s GLN 118 CO 0.31 -0.15 0.44 1.17 -1.32 0.00 0.00 175.29 175.74 1htt n LYS 119 N 1.20 -0.03 -0.01 9.60 4.81 -1.26 0.19 118.16 132.66 1htt n LYS 119 Ca -0.21 0.44 -0.08 0.00 -0.87 0.00 0.00 58.31 57.59 1htt n LYS 119 Cb 0.57 -0.66 -0.13 0.00 0.02 0.00 0.00 35.03 34.82 1htt n LYS 119 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1htt h GLY 120 N 0.00 0.00 -5.41 3.14 0.00 -1.99 -3.47 103.07 95.34 1htt h GLY 120 Ca 0.14 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.87 1htt h GLY 120 CO -0.29 0.00 -0.24 0.50 0.00 0.00 0.00 176.54 176.51 1htt s ARG 121 N -2.64 4.07 0.18 4.80 1.81 0.13 -4.73 118.95 122.57 1htt s ARG 121 Ca -0.04 0.30 0.01 0.00 -1.72 0.00 0.00 55.73 54.28 1htt s ARG 121 Cb 0.08 -3.32 -0.05 0.00 -0.45 0.00 0.00 34.95 31.21 1htt s ARG 121 CO 0.82 0.45 0.04 0.71 -0.68 0.00 0.00 175.30 176.65 1htt s TYR 122 N -0.27 1.18 -0.00 -0.53 2.02 -1.26 -2.70 117.35 115.78 1htt s TYR 122 Ca 0.22 -1.13 -0.09 0.00 -0.37 0.00 0.00 57.07 55.70 1htt s TYR 122 Cb -0.15 -0.67 -0.31 0.00 -0.40 0.00 0.00 41.96 40.44 1htt s TYR 122 CO 0.09 -0.34 0.86 0.00 -1.57 0.00 0.00 175.55 174.59 1htt h ARG 123 N 2.68 0.37 -4.89 -0.62 2.47 -1.38 -3.41 114.38 109.60 1htt h ARG 123 Ca -0.36 -0.64 -0.67 0.00 -1.26 0.00 0.00 59.98 57.04 1htt h ARG 123 Cb 1.21 0.24 -0.33 0.00 -1.65 0.00 0.00 29.97 29.44 1htt h ARG 123 CO 0.61 1.28 -0.75 -1.14 0.56 0.00 0.00 179.97 180.52 1htt s GLN 124 N -2.60 2.69 0.35 0.04 0.74 -1.11 -0.81 119.66 118.96 1htt s GLN 124 Ca -0.11 -1.07 0.03 0.00 0.05 0.00 0.00 55.36 54.27 1htt s GLN 124 Cb 0.06 -2.98 -0.05 0.00 1.10 0.00 0.00 33.01 31.14 1htt s GLN 124 CO 0.88 -0.45 0.09 -0.59 -0.55 0.00 0.00 175.29 174.67 1htt s PHE 125 N 1.28 1.82 0.00 1.67 -0.71 -0.69 -4.64 117.98 116.72 1htt s PHE 125 Ca -0.02 -1.12 0.03 0.00 -1.04 0.00 0.00 56.93 54.78 1htt s PHE 125 Cb -0.17 -1.17 -0.01 0.00 -1.21 0.00 0.00 43.02 40.45 1htt s PHE 125 CO -0.05 -0.17 -0.11 -1.01 -1.34 0.00 0.00 175.22 172.55 1htt s HIS 126 N -3.34 0.97 0.11 3.49 3.76 -1.26 -0.43 115.29 118.58 1htt s HIS 126 Ca 0.32 -0.23 0.06 0.00 -0.15 0.00 0.00 55.06 55.06 1htt s HIS 126 Cb 0.06 -0.61 -0.04 0.00 1.11 0.00 0.00 32.58 33.11 1htt s HIS 126 CO 0.15 -0.01 -0.15 -0.65 -0.85 0.00 0.00 174.74 173.23 1htt s GLN 127 N -0.50 0.98 -0.08 1.40 -0.21 0.37 -2.73 119.66 118.90 1htt s GLN 127 Ca 0.03 -1.16 0.03 0.00 0.02 0.00 0.00 55.36 54.28 1htt s GLN 127 Cb -0.05 -0.94 -0.02 0.00 1.00 0.00 0.00 33.01 33.00 1htt s GLN 127 CO -0.00 0.19 -0.18 -1.17 -2.12 0.00 0.00 175.29 172.02 1htt s LEU 128 N -2.21 2.49 0.07 2.90 0.20 -1.06 -1.63 118.68 119.44 1htt s LEU 128 Ca 0.06 -0.35 -0.06 0.00 0.69 0.00 0.00 54.13 54.47 1htt s LEU 128 Cb -0.07 -1.51 -0.01 0.00 -0.43 0.00 0.00 46.19 44.17 1htt s LEU 128 CO 0.03 0.26 0.12 -0.83 -0.29 0.00 0.00 176.35 175.64 1htt s GLY 129 N -0.21 0.20 0.06 7.98 0.00 -0.53 -0.75 107.32 114.07 1htt s GLY 129 Ca -0.00 -0.76 0.05 0.00 0.00 0.00 0.00 44.72 44.01 1htt s GLY 129 CO 0.03 -0.92 -0.14 0.00 0.00 0.00 0.00 173.10 172.07 1htt s GLU 131 N -1.53 0.10 -0.09 0.00 0.41 -0.79 -1.13 118.70 115.67 1htt s GLU 131 Ca -0.01 0.64 0.03 0.00 -0.41 0.00 0.00 54.97 55.23 1htt s GLU 131 Cb -0.09 -0.15 -0.01 0.00 -1.78 0.00 0.00 34.13 32.10 1htt s GLU 131 CO 0.02 -0.28 -0.20 0.54 -0.49 0.00 0.00 175.26 174.85 1htt s VAL 132 N 2.25 2.49 -0.07 2.63 0.11 0.01 -1.92 120.40 125.90 1htt s VAL 132 Ca 0.01 -0.89 0.04 0.00 -2.93 0.00 0.00 61.98 58.22 1htt s VAL 132 Cb -0.12 -1.97 -0.02 0.00 -1.53 0.00 0.00 36.38 32.74 1htt s VAL 132 CO -0.07 0.56 -0.19 -0.36 -3.33 0.00 0.00 175.10 171.70 1htt s PHE 133 N 0.04 2.59 0.00 1.54 0.08 -0.70 -2.04 117.98 119.49 1htt s PHE 133 Ca -0.08 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.47 1htt s PHE 133 Cb -0.15 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.65 1htt s PHE 133 CO 0.05 -0.07 0.00 0.41 -0.10 0.00 0.00 175.22 175.51 1htt n GLY 134 N 2.81 1.33 3.39 4.36 0.00 -0.08 -1.41 105.19 115.59 1htt n GLY 134 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1htt n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1htt s LEU 135 N 0.00 2.69 -0.24 0.99 1.43 -1.26 -4.78 118.68 117.52 1htt s LEU 135 Ca 0.00 -0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 52.66 1htt s LEU 135 Cb 0.00 -1.59 -0.10 0.00 0.03 0.00 0.00 46.19 44.53 1htt s LEU 135 CO 0.00 0.21 -0.32 1.67 0.23 0.00 0.00 176.35 178.13 1htt n GLN 136 N 3.24 0.52 -0.38 1.70 -0.06 -1.26 -4.27 117.38 116.88 1htt n GLN 136 Ca -0.18 0.23 -0.30 0.00 -2.00 0.00 0.00 57.00 54.75 1htt n GLN 136 Cb 0.53 -1.39 0.28 0.00 -4.06 0.00 0.00 30.24 25.60 1htt n GLN 136 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 1htt s GLY 137 N -5.37 1.43 0.24 1.69 0.00 -1.26 -4.92 107.32 99.13 1htt s GLY 137 Ca -0.34 -0.67 0.25 0.00 0.00 0.00 0.00 44.72 43.96 1htt s GLY 137 CO 0.43 0.29 1.75 -1.55 0.00 0.00 0.00 173.10 174.02 1htt n PRO 138 N -5.54 0.23 -0.17 2.90 -0.04 -1.26 -3.78 135.00 127.34 1htt n PRO 138 Ca 0.10 0.32 -0.06 0.00 -0.04 0.00 0.00 63.50 63.83 1htt n PRO 138 Cb 0.59 -1.84 0.03 0.00 -0.04 0.00 0.00 33.50 32.24 1htt n PRO 138 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1htt h ASP 139 N 0.00 0.50 0.43 3.54 2.03 -1.93 -0.16 116.42 120.83 1htt h ASP 139 Ca 0.00 -0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.25 1htt h ASP 139 Cb 0.55 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 38.93 1htt h ASP 139 CO 0.00 0.36 -0.25 -0.29 -1.03 0.00 0.00 179.24 178.03 1htt h ILE 140 N 0.61 0.93 -0.33 4.15 6.09 -1.94 0.22 117.51 127.24 1htt h ILE 140 Ca 0.20 -0.96 -0.15 0.00 -1.37 0.00 0.00 64.86 62.58 1htt h ILE 140 Cb -0.01 1.56 -0.01 0.00 0.47 0.00 0.00 36.82 38.83 1htt h ILE 140 CO -0.08 0.25 -0.41 0.44 -3.07 0.00 0.00 178.15 175.28 1htt h ASP 141 N 0.00 0.87 -0.15 2.19 5.19 -1.45 -2.21 116.42 120.86 1htt h ASP 141 Ca -0.00 -0.40 -0.14 0.00 -0.62 0.00 0.00 57.03 55.87 1htt h ASP 141 Cb 0.54 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 1htt h ASP 141 CO 0.03 1.16 -0.39 0.00 -3.12 0.00 0.00 179.24 176.93 1htt h ALA 142 N 0.87 0.78 -0.84 3.45 0.00 0.51 -2.62 119.26 121.41 1htt h ALA 142 Ca 0.05 -0.44 0.03 0.00 0.00 0.00 0.00 54.91 54.55 1htt h ALA 142 Cb 0.97 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1htt h ALA 142 CO 0.09 0.65 0.54 1.49 0.00 0.00 0.00 179.25 182.03 1htt h GLU 143 N 0.56 1.03 -0.64 0.00 4.81 -0.62 0.63 114.58 120.35 1htt h GLU 143 Ca 0.05 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 1htt h GLU 143 Cb 0.91 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 1htt h GLU 143 CO 0.08 0.68 0.05 -0.07 -0.73 0.00 0.00 179.01 179.02 1htt h LEU 144 N 1.06 1.06 -0.76 1.64 4.07 -1.23 -0.27 115.31 120.87 1htt h LEU 144 Ca 0.34 -0.29 -0.11 0.00 0.08 0.00 0.00 57.88 57.90 1htt h LEU 144 Cb 0.01 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.45 1htt h LEU 144 CO -0.12 1.08 -0.24 0.40 -1.08 0.00 0.00 178.44 178.48 1htt h ILE 145 N 1.00 1.27 -0.94 1.22 2.04 -1.00 -1.44 117.51 119.68 1htt h ILE 145 Ca 0.19 -1.33 0.01 0.00 1.00 0.00 0.00 64.86 64.73 1htt h ILE 145 Cb 0.51 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.81 1htt h ILE 145 CO 0.02 0.44 0.62 0.24 0.00 0.00 0.00 178.15 179.47 1htt h MET 146 N 0.59 1.23 -0.65 2.37 2.86 -0.57 -1.60 114.93 119.17 1htt h MET 146 Ca 0.08 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1htt h MET 146 Cb 0.72 -0.28 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 1htt h MET 146 CO 0.06 0.82 0.19 1.25 1.06 0.00 0.00 176.91 180.29 1htt h LEU 147 N 1.27 0.95 -0.89 1.22 6.46 -0.51 -2.05 115.31 121.77 1htt h LEU 147 Ca 0.34 -0.21 -0.10 0.00 -0.12 0.00 0.00 57.88 57.79 1htt h LEU 147 Cb -0.15 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.52 1htt h LEU 147 CO -0.07 0.91 -0.46 0.71 -0.62 0.00 0.00 178.44 178.90 1htt h THR 148 N 0.94 1.10 -0.63 1.05 1.35 -0.67 -2.94 112.91 113.12 1htt h THR 148 Ca 0.21 -1.73 -0.06 0.00 -0.55 0.00 0.00 66.41 64.27 1htt h THR 148 Cb 0.31 2.00 -0.03 0.00 -1.73 0.00 0.00 68.15 68.70 1htt h THR 148 CO -0.00 0.45 0.14 0.00 -0.25 0.00 0.00 175.52 175.86 1htt h ALA 149 N 1.54 1.05 -0.34 6.62 0.00 -0.85 -2.20 119.26 125.08 1htt h ALA 149 Ca -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1htt h ALA 149 Cb 0.96 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1htt h ALA 149 CO 0.06 0.62 0.18 -0.09 0.00 0.00 0.00 179.25 180.02 1htt h ARG 150 N 0.95 0.49 -0.76 0.00 2.43 -1.26 -1.82 114.38 114.41 1htt h ARG 150 Ca 0.20 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 1htt h ARG 150 Cb 0.36 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.77 1htt h ARG 150 CO 0.00 0.43 0.50 -1.49 -1.51 0.00 0.00 179.97 177.90 1htt h TRP 151 N 0.43 0.85 -0.16 2.20 6.55 -1.29 -0.40 115.95 124.12 1htt h TRP 151 Ca 0.12 0.02 -0.20 0.00 0.95 0.00 0.00 58.89 59.78 1htt h TRP 151 Cb 0.09 -0.28 0.00 0.00 -0.86 0.00 0.00 29.16 28.11 1htt h TRP 151 CO -0.02 0.46 -0.71 -1.49 -1.05 0.00 0.00 178.44 175.63 1htt h TRP 152 N 0.85 0.91 0.12 0.49 -0.00 -0.82 -0.96 115.95 116.55 1htt h TRP 152 Ca 0.32 -0.38 0.01 0.00 -0.00 0.00 0.00 58.89 58.84 1htt h TRP 152 Cb 0.18 -0.15 -0.02 0.00 -0.00 0.00 0.00 29.16 29.17 1htt h TRP 152 CO -0.00 1.19 -0.16 0.00 -0.00 0.00 0.00 178.44 179.46 1htt h ARG 153 N 0.49 -0.32 -0.04 0.49 3.08 -0.94 0.41 114.38 117.55 1htt h ARG 153 Ca -0.03 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1htt h ARG 153 Cb 1.31 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.44 1htt h ARG 153 CO 0.14 -0.22 0.03 0.00 -1.07 0.00 0.00 179.97 178.85 1htt h ALA 154 N 0.49 2.02 -0.02 0.04 0.00 -0.92 -0.50 119.26 120.37 1htt h ALA 154 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1htt h ALA 154 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1htt h ALA 154 CO -0.07 -0.03 -0.26 1.28 0.00 0.00 0.00 179.25 180.17 1htt n LEU 155 N -4.53 2.18 -0.89 0.00 4.77 -0.38 -4.96 117.00 113.18 1htt n LEU 155 Ca -0.02 -0.75 -0.08 0.00 -0.03 0.00 0.00 56.01 55.12 1htt n LEU 155 Cb 0.12 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1htt n LEU 155 CO 0.34 0.38 -0.10 0.61 -1.33 0.00 0.00 177.39 177.29 1htt n GLY 156 N 1.37 0.25 0.36 -0.72 0.00 -0.18 -4.92 105.19 101.35 1htt n GLY 156 Ca 0.12 -0.56 0.05 0.00 0.00 0.00 0.00 46.02 45.63 1htt n GLY 156 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1htt n ILE 157 N -3.72 0.00 -0.28 -0.61 -5.35 -0.04 -4.76 119.36 104.60 1htt n ILE 157 Ca -0.10 -0.49 0.09 0.00 -0.27 0.00 0.00 62.75 61.99 1htt n ILE 157 Cb 0.51 1.19 0.19 0.00 -1.74 0.00 0.00 39.64 39.78 1htt n ILE 157 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1htt n SER 158 N 0.42 -0.17 -2.09 7.28 7.64 -1.09 -0.70 113.62 124.91 1htt n SER 158 Ca 0.05 1.38 -0.17 0.00 1.01 0.00 0.00 58.87 61.14 1htt n SER 158 Cb 0.23 -0.47 -0.05 0.00 -1.01 0.00 0.00 64.21 62.91 1htt n SER 158 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1htt n GLU 159 N -5.21 1.97 0.00 1.43 -0.58 -1.26 -3.24 120.64 113.75 1htt n GLU 159 Ca 0.17 -1.53 0.00 0.00 -0.42 0.00 0.00 57.16 55.37 1htt n GLU 159 Cb 0.54 -1.82 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 1htt n GLU 159 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1htt n HIS 160 N 1.17 0.00 -4.25 -0.32 8.25 0.13 -5.10 115.22 115.09 1htt n HIS 160 Ca 0.36 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.59 1htt n HIS 160 Cb 0.63 0.05 -0.17 0.00 1.12 0.00 0.00 29.99 31.63 1htt n HIS 160 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1htt s VAL 161 N 0.00 0.82 -0.03 1.59 1.01 -1.20 -4.13 120.40 118.46 1htt s VAL 161 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1htt s VAL 161 Cb 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 1htt s VAL 161 CO 0.00 0.30 -0.01 0.28 0.00 0.00 0.00 175.10 175.67 1htt s THR 162 N 1.01 4.11 -0.20 3.92 -1.32 0.29 -4.91 115.64 118.55 1htt s THR 162 Ca -0.09 -0.51 -0.13 0.00 -1.21 0.00 0.00 61.69 59.75 1htt s THR 162 Cb -0.14 -2.79 -0.05 0.00 -1.51 0.00 0.00 72.50 68.01 1htt s THR 162 CO -0.00 0.46 0.26 -0.22 -2.21 0.00 0.00 174.62 172.90 1htt s LEU 163 N -1.31 4.19 -0.09 9.08 2.96 -1.26 -0.72 118.68 131.53 1htt s LEU 163 Ca 0.17 0.37 0.02 0.00 -0.22 0.00 0.00 54.13 54.47 1htt s LEU 163 Cb -0.11 -2.29 -0.02 0.00 0.50 0.00 0.00 46.19 44.26 1htt s LEU 163 CO 0.07 0.06 -0.14 -1.61 -1.32 0.00 0.00 176.35 173.41 1htt s GLU 164 N 0.79 2.90 0.11 1.98 2.02 -0.26 -1.14 118.70 125.11 1htt s GLU 164 Ca 0.13 -0.70 0.01 0.00 0.02 0.00 0.00 54.97 54.44 1htt s GLU 164 Cb -0.13 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 31.57 1htt s GLU 164 CO 0.04 0.43 -0.03 -0.51 0.02 0.00 0.00 175.26 175.21 1htt s LEU 165 N -0.23 2.34 0.00 1.80 1.43 0.32 -1.25 118.68 123.09 1htt s LEU 165 Ca 0.01 -1.07 0.00 0.00 -1.03 0.00 0.00 54.13 52.04 1htt s LEU 165 Cb -0.13 0.00 0.00 0.00 0.03 0.00 0.00 46.19 46.09 1htt s LEU 165 CO 0.03 -0.53 0.00 -0.46 0.23 0.00 0.00 176.35 175.62 1htt n ASN 166 N -0.08 0.00 -4.64 2.29 2.04 -0.40 -0.87 115.26 113.60 1htt n ASN 166 Ca -0.10 0.00 -0.35 0.00 -0.44 0.00 0.00 54.58 53.69 1htt n ASN 166 Cb 0.62 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.77 1htt n ASN 166 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 1htt s SER 167 N 0.00 5.10 -0.20 0.53 0.15 -1.26 -1.05 113.70 116.97 1htt s SER 167 Ca 0.00 0.08 0.16 0.00 0.70 0.00 0.00 55.95 56.89 1htt s SER 167 Cb 0.00 -1.49 0.60 0.00 -1.71 0.00 0.00 66.02 63.42 1htt s SER 167 CO 0.00 0.34 1.51 -0.38 1.20 0.00 0.00 173.24 175.91 1htt n ILE 168 N 2.41 2.43 -3.54 6.45 2.08 -0.27 -4.99 119.36 123.93 1htt n ILE 168 Ca -0.18 -1.80 0.07 0.00 0.56 0.00 0.00 62.75 61.40 1htt n ILE 168 Cb 0.53 -0.27 -0.02 0.00 -0.75 0.00 0.00 39.64 39.14 1htt n ILE 168 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1htt n GLY 169 N -0.28 -1.21 0.00 7.39 0.00 -1.18 -4.83 105.19 105.08 1htt n GLY 169 Ca 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1htt n GLY 169 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1htt n ASP 230 N -3.51 0.00 -0.30 1.61 2.03 -1.26 -3.47 116.55 111.64 1htt n ASP 230 Ca 0.00 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.39 1htt n ASP 230 Cb 0.23 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 40.82 1htt n ASP 230 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1htt h GLU 231 N 0.00 0.04 -0.83 -0.67 -0.00 -2.05 0.37 114.58 111.44 1htt h GLU 231 Ca 0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.32 1htt h GLU 231 Cb 0.00 -0.01 -0.04 0.00 -0.00 0.00 0.00 28.75 28.70 1htt h GLU 231 CO 0.00 0.03 0.39 1.49 -0.00 0.00 0.00 179.01 180.92 1htt h GLU 232 N 0.04 1.20 0.00 1.06 4.22 -2.03 0.30 114.58 119.37 1htt h GLU 232 Ca 0.48 -0.18 0.00 0.00 0.08 0.00 0.00 59.36 59.74 1htt h GLU 232 Cb 0.87 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1htt h GLU 232 CO -0.83 0.93 0.00 0.77 -2.18 0.00 0.00 179.01 177.70 1htt h SER 233 N 1.18 0.00 0.26 1.04 0.02 -0.80 -0.88 113.55 114.38 1htt h SER 233 Ca 0.28 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.97 1htt h SER 233 Cb 0.13 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.69 1htt h SER 233 CO -0.03 0.00 -1.10 0.03 -1.14 0.00 0.00 176.83 174.58 1htt h ARG 234 N 0.00 0.50 -0.26 3.45 3.08 0.38 -2.09 114.38 119.44 1htt h ARG 234 Ca 0.00 -0.62 -0.13 0.00 0.07 0.00 0.00 59.98 59.30 1htt h ARG 234 Cb 0.91 0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 1htt h ARG 234 CO 0.00 1.25 -0.34 1.05 -1.07 0.00 0.00 179.97 180.86 1htt h GLU 235 N 0.25 0.70 -0.22 0.04 4.11 -0.86 -1.47 114.58 117.13 1htt h GLU 235 Ca -0.13 -0.40 0.01 0.00 0.07 0.00 0.00 59.36 58.91 1htt h GLU 235 Cb 1.77 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.03 1htt h GLU 235 CO 0.20 1.01 0.12 1.25 0.07 0.00 0.00 179.01 181.66 1htt h HIS 236 N 0.43 0.22 -0.53 2.06 2.76 -1.25 -0.58 115.15 118.27 1htt h HIS 236 Ca 0.03 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.16 1htt h HIS 236 Cb 0.92 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.79 1htt h HIS 236 CO 0.08 0.13 0.12 0.35 -1.30 0.00 0.00 177.93 177.30 1htt h PHE 237 N 0.25 0.90 0.02 5.26 3.57 -1.38 -1.85 116.94 123.71 1htt h PHE 237 Ca 0.08 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1htt h PHE 237 Cb 0.00 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.49 1htt h PHE 237 CO -0.08 0.79 -0.01 0.00 -2.23 0.00 0.00 178.31 176.78 1htt h ALA 238 N 1.00 -0.03 -0.75 2.41 0.00 -1.12 0.37 119.26 121.14 1htt h ALA 238 Ca 0.16 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.16 1htt h ALA 238 Cb 0.36 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 1htt h ALA 238 CO 0.00 -0.49 0.35 0.78 0.00 0.00 0.00 179.25 179.90 1htt h GLY 239 N -0.08 1.14 0.72 0.00 0.00 -1.03 0.16 103.07 103.97 1htt h GLY 239 Ca -0.00 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.15 1htt h GLY 239 CO 0.00 -0.00 -0.05 -2.00 0.00 0.00 0.00 176.54 174.50 1htt h LEU 240 N 0.56 -0.16 -1.58 3.11 5.85 -0.84 -1.85 115.31 120.41 1htt h LEU 240 Ca 0.39 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 59.11 1htt h LEU 240 Cb 0.49 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1htt h LEU 240 CO -0.32 -0.06 -0.18 0.00 -0.34 0.00 0.00 178.44 177.54 1htt h LYS 242 N 0.05 0.53 -0.82 0.00 1.79 -0.42 -2.29 116.57 115.41 1htt h LYS 242 Ca 0.01 -0.23 0.07 0.00 -2.18 0.00 0.00 60.65 58.32 1htt h LYS 242 Cb 0.34 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.92 1htt h LYS 242 CO 0.02 0.78 0.53 -0.07 -1.08 0.00 0.00 179.45 179.63 1htt h LEU 243 N 0.27 0.78 -0.08 2.94 3.38 -0.72 -1.10 115.31 120.77 1htt h LEU 243 Ca 0.06 0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.82 1htt h LEU 243 Cb 0.61 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.21 1htt h LEU 243 CO 0.03 0.50 -0.78 -0.07 0.09 0.00 0.00 178.44 178.21 1htt h LEU 244 N 0.88 0.83 -0.35 1.67 3.38 -1.25 -2.90 115.31 117.57 1htt h LEU 244 Ca 0.35 -0.68 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1htt h LEU 244 Cb 0.25 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1htt h LEU 244 CO -0.13 1.39 0.21 -0.33 0.09 0.00 0.00 178.44 179.67 1htt h GLU 245 N 0.34 0.48 0.00 1.13 5.08 -1.17 0.61 114.58 121.05 1htt h GLU 245 Ca -0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1htt h GLU 245 Cb 1.43 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1htt h GLU 245 CO 0.16 0.36 0.00 0.43 -1.00 0.00 0.00 179.01 178.96 1htt n SER 246 N -4.81 0.00 0.00 1.42 7.64 -0.44 -0.72 113.62 116.71 1htt n SER 246 Ca -0.01 -0.41 0.00 0.00 1.01 0.00 0.00 58.87 59.47 1htt n SER 246 Cb 0.05 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1htt n SER 246 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1htt n ALA 247 N -0.73 1.82 -1.02 -0.43 0.00 0.02 -5.00 120.51 115.16 1htt n ALA 247 Ca 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 1htt n ALA 247 Cb 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.46 1htt n ALA 247 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1htt n GLY 248 N 0.74 0.45 3.65 0.00 0.00 0.10 -4.98 105.19 105.14 1htt n GLY 248 Ca 0.00 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 1htt n GLY 248 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1htt s ILE 249 N -2.02 4.83 -0.12 -0.61 1.01 -0.71 -5.01 121.20 118.57 1htt s ILE 249 Ca 0.00 1.60 -0.28 0.00 0.00 0.00 0.00 60.65 61.97 1htt s ILE 249 Cb 0.00 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 1htt s ILE 249 CO 0.00 -0.06 0.95 0.00 0.00 0.00 0.00 174.94 175.83 1htt s ALA 250 N 2.76 3.43 0.21 9.38 0.00 -1.26 -4.34 121.76 131.93 1htt s ALA 250 Ca 0.36 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.63 1htt s ALA 250 Cb -0.15 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1htt s ALA 250 CO 0.08 -0.59 0.00 1.52 0.00 0.00 0.00 175.76 176.77 1htt s TYR 251 N 1.99 1.41 -0.10 0.00 -0.85 -1.26 -4.21 117.35 114.32 1htt s TYR 251 Ca 0.46 -0.98 0.03 0.00 -0.52 0.00 0.00 57.07 56.06 1htt s TYR 251 Cb -0.18 -0.81 0.00 0.00 0.38 0.00 0.00 41.96 41.36 1htt s TYR 251 CO 0.17 -0.13 -0.21 0.99 -1.52 0.00 0.00 175.55 174.84 1htt s THR 252 N -3.54 1.89 -0.21 -3.49 2.01 -0.30 -5.02 115.64 106.99 1htt s THR 252 Ca 0.27 -0.91 -0.23 0.00 0.31 0.00 0.00 61.69 61.13 1htt s THR 252 Cb 0.06 -1.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.90 1htt s THR 252 CO 0.07 0.52 0.75 -0.69 -0.69 0.00 0.00 174.62 174.58 1htt s VAL 253 N 0.53 4.92 -0.31 3.82 1.01 -1.26 -0.52 120.40 128.58 1htt s VAL 253 Ca -0.15 1.44 0.03 0.00 0.00 0.00 0.00 61.98 63.29 1htt s VAL 253 Cb -0.17 -4.06 0.09 0.00 0.00 0.00 0.00 36.38 32.24 1htt s VAL 253 CO 0.05 0.02 0.03 0.21 0.00 0.00 0.00 175.10 175.41 1htt s ASN 254 N 1.26 4.49 0.59 3.32 2.47 -0.05 -4.92 114.94 122.10 1htt s ASN 254 Ca 0.33 -1.86 0.37 0.00 0.42 0.00 0.00 52.86 52.12 1htt s ASN 254 Cb -0.16 -1.43 1.76 0.00 -1.45 0.00 0.00 41.25 39.97 1htt s ASN 254 CO 0.10 -0.35 2.13 1.56 -3.72 0.00 0.00 177.10 176.83 1htt h GLN 255 N 7.76 0.00 0.00 0.43 4.20 -1.95 -1.35 115.11 124.20 1htt h GLN 255 Ca -0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1htt h GLN 255 Cb 1.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.81 1htt h GLN 255 CO 0.49 0.02 0.00 -2.13 -0.67 0.00 0.00 178.83 176.54 1htt n ARG 256 N -3.17 0.30 -2.05 1.46 0.00 -1.26 -4.76 116.66 107.19 1htt n ARG 256 Ca -0.01 0.01 -0.31 0.00 -0.00 0.00 0.00 57.85 57.54 1htt n ARG 256 Cb 0.22 -1.50 -0.04 0.00 0.00 0.00 0.00 32.46 31.13 1htt n ARG 256 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1htt s LEU 257 N -2.69 3.21 0.05 6.15 2.96 -0.51 -4.91 118.68 122.95 1htt s LEU 257 Ca 0.24 -0.29 0.06 0.00 -0.22 0.00 0.00 54.13 53.92 1htt s LEU 257 Cb 0.19 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 1htt s LEU 257 CO 0.46 -2.60 -0.12 0.68 -1.32 0.00 0.00 176.35 173.45 1htt s VAL 258 N 9.68 3.21 0.75 1.68 -7.23 -1.26 -4.85 120.40 122.38 1htt s VAL 258 Ca 0.69 -1.11 -0.08 0.00 -1.81 0.00 0.00 61.98 59.67 1htt s VAL 258 Cb -0.09 -2.42 0.08 0.00 0.56 0.00 0.00 36.38 34.52 1htt s VAL 258 CO 0.07 0.27 1.07 -0.13 -0.31 0.00 0.00 175.10 176.08 1htt s ARG 259 N -1.70 1.96 -0.11 4.82 0.52 -1.26 -4.99 118.95 118.19 1htt s ARG 259 Ca 0.18 -0.27 0.11 0.00 -0.52 0.00 0.00 55.73 55.23 1htt s ARG 259 Cb -0.11 -2.11 0.53 0.00 0.52 0.00 0.00 34.95 33.78 1htt s ARG 259 CO 0.09 -1.43 1.36 0.41 0.02 0.00 0.00 175.30 175.75 1htt n GLY 260 N -3.07 2.17 3.08 -3.53 0.00 -1.26 -4.85 105.19 97.73 1htt n GLY 260 Ca 0.09 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 1htt n GLY 260 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1htt s LEU 261 N -1.62 1.88 -0.74 0.99 1.43 -1.26 -4.75 118.68 114.62 1htt s LEU 261 Ca 0.36 -0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 53.15 1htt s LEU 261 Cb 0.25 -0.78 0.18 0.00 0.03 0.00 0.00 46.19 45.87 1htt s LEU 261 CO 0.15 0.12 2.42 0.47 0.23 0.00 0.00 176.35 179.74 1htt n ASP 262 N 3.14 7.07 0.00 2.29 8.00 -0.56 -4.10 116.55 132.39 1htt n ASP 262 Ca -0.18 -3.43 0.00 0.00 0.71 0.00 0.00 54.79 51.90 1htt n ASP 262 Cb 0.54 -1.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.44 1htt n ASP 262 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1htt n TYR 263 N 0.49 0.00 -2.77 1.24 0.18 -1.26 -4.80 117.16 110.24 1htt n TYR 263 Ca 0.52 -0.01 -0.35 0.00 1.88 0.00 0.00 57.90 59.94 1htt n TYR 263 Cb 0.39 -0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.29 1htt n TYR 263 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 1htt s TYR 264 N -0.02 3.48 0.00 -3.48 2.02 -1.26 -4.43 117.35 113.67 1htt s TYR 264 Ca 0.00 1.70 0.00 0.00 -0.37 0.00 0.00 57.07 58.40 1htt s TYR 264 Cb 0.00 -2.91 0.00 0.00 -0.40 0.00 0.00 41.96 38.65 1htt s TYR 264 CO 0.00 -0.02 0.00 0.27 -1.57 0.00 0.00 175.55 174.23 1htt n ASN 265 N -0.03 0.00 0.00 2.29 6.94 0.55 -4.94 115.26 120.07 1htt n ASN 265 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.60 1htt n ASN 265 Cb 0.52 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.94 1htt n ASN 265 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1htt n ARG 266 N -1.07 0.00 -2.00 -3.83 1.74 -1.23 -2.66 116.66 107.61 1htt n ARG 266 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1htt n ARG 266 Cb 0.00 -0.28 -0.03 0.00 -1.02 0.00 0.00 32.46 31.14 1htt n ARG 266 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1htt s THR 267 N 0.00 3.01 -0.03 0.55 2.01 -1.26 -1.12 115.64 118.80 1htt s THR 267 Ca 0.00 0.60 0.02 0.00 0.31 0.00 0.00 61.69 62.62 1htt s THR 267 Cb 0.00 -3.39 0.01 0.00 0.01 0.00 0.00 72.50 69.13 1htt s THR 267 CO 0.00 0.02 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.19 1htt s VAL 268 N 1.89 0.69 0.04 3.82 1.01 -0.22 -0.52 120.40 127.11 1htt s VAL 268 Ca 0.70 -0.27 -0.08 0.00 0.00 0.00 0.00 61.98 62.33 1htt s VAL 268 Cb -0.40 -0.65 -0.00 0.00 0.00 0.00 0.00 36.38 35.33 1htt s VAL 268 CO 0.31 0.24 0.15 0.72 0.00 0.00 0.00 175.10 176.52 1htt s PHE 269 N 0.47 0.11 -0.08 5.22 -0.12 -0.81 -1.28 117.98 121.50 1htt s PHE 269 Ca -0.07 -0.37 -0.04 0.00 -0.05 0.00 0.00 56.93 56.40 1htt s PHE 269 Cb -0.11 -0.08 0.04 0.00 -0.63 0.00 0.00 43.02 42.24 1htt s PHE 269 CO 0.01 -0.40 0.18 -2.00 -0.05 0.00 0.00 175.22 172.95 1htt s GLU 270 N -2.57 0.14 -0.37 1.99 2.12 -0.38 -2.21 118.70 117.42 1htt s GLU 270 Ca -0.05 0.40 -0.14 0.00 0.36 0.00 0.00 54.97 55.53 1htt s GLU 270 Cb -0.01 -0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.26 1htt s GLU 270 CO -0.04 -0.14 0.30 -1.58 -0.54 0.00 0.00 175.26 173.26 1htt s TRP 271 N 1.01 3.22 0.18 5.30 0.52 -0.45 -1.10 118.94 127.62 1htt s TRP 271 Ca -0.08 -0.33 0.07 0.00 0.02 0.00 0.00 56.10 55.78 1htt s TRP 271 Cb -0.09 -2.58 -0.04 0.00 -1.15 0.00 0.00 33.47 29.60 1htt s TRP 271 CO -0.06 -0.48 0.00 0.08 0.02 0.00 0.00 176.95 176.51 1htt s VAL 272 N 1.79 3.71 0.28 4.03 1.01 0.10 -1.15 120.40 130.17 1htt s VAL 272 Ca 0.07 -1.45 0.10 0.00 0.00 0.00 0.00 61.98 60.70 1htt s VAL 272 Cb -0.18 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 1htt s VAL 272 CO 0.11 -0.12 -0.14 0.42 0.00 0.00 0.00 175.10 175.37 1htt s THR 273 N -1.76 2.12 -0.85 3.92 -4.23 0.69 -0.55 115.64 114.98 1htt s THR 273 Ca 0.28 -2.27 0.01 0.00 -1.18 0.00 0.00 61.69 58.53 1htt s THR 273 Cb -0.09 -2.36 0.27 0.00 1.34 0.00 0.00 72.50 71.66 1htt s THR 273 CO 0.19 -0.37 1.04 -0.46 -0.54 0.00 0.00 174.62 174.47 1htt n ASN 274 N -0.61 4.86 -3.16 3.99 6.94 -1.26 -4.52 115.26 121.51 1htt n ASN 274 Ca -0.06 -3.39 -0.14 0.00 -0.02 0.00 0.00 54.58 50.97 1htt n ASN 274 Cb 0.62 -0.96 -0.03 0.00 -2.36 0.00 0.00 39.78 37.05 1htt n ASN 274 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1htt n GLN 279 N 1.24 0.31 0.00 -3.83 3.00 -1.26 -5.13 117.38 111.71 1htt n GLN 279 Ca 0.27 -0.78 0.00 0.00 -0.01 0.00 0.00 57.00 56.48 1htt n GLN 279 Cb 0.37 -2.20 0.00 0.00 0.00 0.00 0.00 30.24 28.41 1htt n GLN 279 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1htt n GLY 280 N 4.22 1.55 3.70 1.08 0.00 -1.26 -4.81 105.19 109.65 1htt n GLY 280 Ca 0.18 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1htt n GLY 280 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1htt s THR 281 N 0.00 3.97 -0.18 2.61 2.01 -1.26 -0.22 115.64 122.57 1htt s THR 281 Ca 0.00 1.36 0.12 0.00 0.31 0.00 0.00 61.69 63.47 1htt s THR 281 Cb 0.00 -3.87 -0.19 0.00 0.01 0.00 0.00 72.50 68.45 1htt s THR 281 CO 0.00 0.03 -0.01 0.52 -0.69 0.00 0.00 174.62 174.47 1htt n VAL 282 N 4.42 1.18 -3.81 3.82 0.31 -0.30 -4.88 118.33 119.08 1htt n VAL 282 Ca 0.11 -0.65 -0.12 0.00 -0.01 0.00 0.00 64.34 63.66 1htt n VAL 282 Cb 0.45 -0.73 -0.11 0.00 -0.91 0.00 0.00 33.84 32.54 1htt n VAL 282 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1htt s ALA 284 N -0.39 -0.82 -0.01 0.00 0.00 -0.49 -1.35 121.76 118.71 1htt s ALA 284 Ca -0.05 0.37 -0.16 0.00 0.00 0.00 0.00 51.96 52.12 1htt s ALA 284 Cb -0.03 0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.20 1htt s ALA 284 CO 0.01 -0.26 0.72 0.41 0.00 0.00 0.00 175.76 176.64 1htt n GLY 285 N 1.29 0.40 0.00 0.00 0.00 -0.94 -1.30 105.19 104.64 1htt n GLY 285 Ca -0.21 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1htt n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1htt n GLY 286 N -0.52 -0.81 3.90 -0.02 0.00 -0.77 -1.92 105.19 105.05 1htt n GLY 286 Ca 0.03 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 1htt n GLY 286 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1htt s ARG 287 N -0.49 3.35 -0.44 1.61 3.52 0.32 -2.09 118.95 124.73 1htt s ARG 287 Ca 0.00 -0.48 0.08 0.00 -0.13 0.00 0.00 55.73 55.19 1htt s ARG 287 Cb 0.00 -2.99 0.29 0.00 -1.56 0.00 0.00 34.95 30.69 1htt s ARG 287 CO 0.00 0.60 0.85 2.48 -0.81 0.00 0.00 175.30 178.42 1htt n TYR 288 N 0.29 -1.93 0.26 5.12 4.11 -0.28 -0.33 117.16 124.39 1htt n TYR 288 Ca -0.06 -2.63 0.12 0.00 -0.00 0.00 0.00 57.90 55.34 1htt n TYR 288 Cb 0.51 0.82 0.70 0.00 -0.00 0.00 0.00 39.34 41.37 1htt n TYR 288 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.86 176.42 1htt h ASP 289 N 3.50 0.00 0.90 9.48 3.32 -1.80 -3.00 116.42 128.83 1htt h ASP 289 Ca -0.04 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.84 1htt h ASP 289 Cb 1.01 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 1htt h ASP 289 CO 0.33 0.13 -1.18 1.23 -1.72 0.00 0.00 179.24 178.03 1htt h GLY 290 N 0.99 0.00 2.00 2.75 0.00 -1.83 -3.38 103.07 103.60 1htt h GLY 290 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1htt h GLY 290 CO 0.02 0.00 -0.00 -2.00 0.00 0.00 0.00 176.54 174.55 1htt h LEU 291 N 0.00 0.00 -0.39 3.11 5.85 -1.78 -2.24 115.31 119.86 1htt h LEU 291 Ca -0.12 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.43 1htt h LEU 291 Cb 1.59 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.61 1htt h LEU 291 CO 0.06 0.00 -0.49 0.58 -0.34 0.00 0.00 178.44 178.26 1htt h VAL 292 N 0.00 1.28 0.00 1.05 2.07 -1.80 -2.65 116.25 116.20 1htt h VAL 292 Ca -0.00 -1.67 -0.26 0.00 0.82 0.00 0.00 66.70 65.59 1htt h VAL 292 Cb 0.02 1.56 0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1htt h VAL 292 CO 0.00 0.55 -1.03 -0.08 0.02 0.00 0.00 177.57 177.03 1htt h GLU 293 N 0.66 0.64 -0.18 1.57 4.81 -1.42 0.27 114.58 120.92 1htt h GLU 293 Ca 0.03 -0.69 0.05 0.00 -0.13 0.00 0.00 59.36 58.62 1htt h GLU 293 Cb 1.07 0.20 -0.05 0.00 0.63 0.00 0.00 28.75 30.60 1htt h GLU 293 CO 0.11 1.28 -0.13 1.96 -0.73 0.00 0.00 179.01 181.50 1htt h GLN 294 N 0.36 -0.13 -0.37 1.92 4.20 -1.51 -0.49 115.11 119.08 1htt h GLN 294 Ca -0.12 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1htt h GLN 294 Cb 1.68 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.49 1htt h GLN 294 CO 0.20 -0.09 0.00 1.28 -0.67 0.00 0.00 178.83 179.55 1htt n LEU 295 N -5.28 0.37 0.00 1.46 4.77 -1.00 -4.80 117.00 112.52 1htt n LEU 295 Ca -0.02 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1htt n LEU 295 Cb 0.20 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1htt n LEU 295 CO 0.21 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1htt n GLY 296 N 0.30 1.25 3.72 -0.72 0.00 -0.20 -4.99 105.19 104.54 1htt n GLY 296 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1htt n GLY 296 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1htt s GLY 297 N -2.00 2.78 0.52 -0.02 0.00 0.93 -4.96 107.32 104.57 1htt s GLY 297 Ca 0.00 -1.20 -0.20 0.00 0.00 0.00 0.00 44.72 43.32 1htt s GLY 297 CO 0.00 -2.14 1.08 0.50 0.00 0.00 0.00 173.10 172.55 1htt s ARG 298 N -3.83 3.54 0.18 2.90 0.52 -1.26 -3.41 118.95 117.59 1htt s ARG 298 Ca 0.19 1.48 -0.31 0.00 -0.52 0.00 0.00 55.73 56.57 1htt s ARG 298 Cb 0.05 -2.05 -0.10 0.00 0.52 0.00 0.00 34.95 33.37 1htt s ARG 298 CO 0.10 -0.67 1.49 0.00 0.02 0.00 0.00 175.30 176.25 1htt s ALA 299 N -1.90 3.69 -0.12 2.13 0.00 -1.26 -4.30 121.76 120.00 1htt s ALA 299 Ca 0.70 1.30 -0.10 0.00 0.00 0.00 0.00 51.96 53.86 1htt s ALA 299 Cb -0.20 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.37 1htt s ALA 299 CO 0.24 -0.73 0.31 -0.08 0.00 0.00 0.00 175.76 175.50 1htt s THR 300 N 0.80 -0.01 0.51 0.00 -1.32 -1.26 -4.99 115.64 109.36 1htt s THR 300 Ca 0.66 0.02 -0.22 0.00 -1.21 0.00 0.00 61.69 60.95 1htt s THR 300 Cb -0.42 -0.44 -0.06 0.00 -1.51 0.00 0.00 72.50 70.07 1htt s THR 300 CO 0.34 0.01 1.21 -2.84 -2.21 0.00 0.00 174.62 171.13 1htt s PRO 301 N 0.39 3.46 -0.10 7.08 0.02 -1.26 -4.67 135.00 139.91 1htt s PRO 301 Ca -0.02 1.85 -0.24 0.00 0.02 0.00 0.00 61.00 62.61 1htt s PRO 301 Cb -0.04 -2.25 0.06 0.00 0.02 0.00 0.00 34.50 32.29 1htt s PRO 301 CO -0.02 -0.82 0.57 0.00 -0.33 0.00 0.00 177.00 176.41 1htt s ALA 302 N -1.53 -1.46 0.06 -1.55 0.00 -1.26 -0.90 121.76 115.10 1htt s ALA 302 Ca 0.69 1.23 -0.14 0.00 0.00 0.00 0.00 51.96 53.74 1htt s ALA 302 Cb -0.31 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.52 1htt s ALA 302 CO 0.36 -0.32 0.32 0.08 0.00 0.00 0.00 175.76 176.20 1htt s VAL 303 N -0.72 0.08 -0.60 0.00 1.01 -0.86 -1.13 120.40 118.18 1htt s VAL 303 Ca -0.08 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1htt s VAL 303 Cb -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1htt s VAL 303 CO 0.06 -0.38 0.00 0.61 0.00 0.00 0.00 175.10 175.39 1htt n GLY 304 N 0.43 -1.29 3.78 4.51 0.00 -0.89 -0.81 105.19 110.91 1htt n GLY 304 Ca -0.18 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.77 1htt n GLY 304 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1htt s PHE 305 N -2.27 -0.00 -0.08 1.61 -0.12 -0.29 -1.85 117.98 114.98 1htt s PHE 305 Ca 0.00 -0.44 -0.15 0.00 -0.05 0.00 0.00 56.93 56.29 1htt s PHE 305 Cb 0.00 0.57 0.03 0.00 -0.63 0.00 0.00 43.02 42.99 1htt s PHE 305 CO 0.00 -1.20 0.36 0.00 -0.05 0.00 0.00 175.22 174.33 1htt s ALA 306 N -3.81 -0.91 0.02 1.99 0.00 -0.42 -0.79 121.76 117.84 1htt s ALA 306 Ca 0.15 0.77 0.06 0.00 0.00 0.00 0.00 51.96 52.94 1htt s ALA 306 Cb -0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 1htt s ALA 306 CO 0.08 -0.22 -0.20 1.41 0.00 0.00 0.00 175.76 176.83 1htt s MET 307 N -0.50 1.43 -0.77 0.00 0.00 0.07 -1.39 119.30 118.13 1htt s MET 307 Ca -0.06 -0.81 -0.22 0.00 0.00 0.00 0.00 55.69 54.59 1htt s MET 307 Cb -0.04 -1.46 0.08 0.00 0.00 0.00 0.00 34.83 33.41 1htt s MET 307 CO 0.03 0.39 1.08 0.20 0.00 0.00 0.00 175.02 176.71 1htt s GLY 308 N -0.85 1.46 0.62 2.11 0.00 -0.40 -2.57 107.32 107.68 1htt s GLY 308 Ca 0.07 -2.07 0.28 0.00 0.00 0.00 0.00 44.72 42.99 1htt s GLY 308 CO 0.01 2.16 1.85 1.41 0.00 0.00 0.00 173.10 178.52 1htt h LEU 309 N 11.40 0.00 -0.53 0.66 4.07 -1.82 0.23 115.31 129.32 1htt h LEU 309 Ca -0.13 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.67 1htt h LEU 309 Cb 1.05 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.78 1htt h LEU 309 CO 1.20 0.00 -0.52 -0.33 -1.08 0.00 0.00 178.44 177.71 1htt h GLU 310 N 0.00 0.58 -0.12 1.13 3.07 -1.90 -1.36 114.58 115.98 1htt h GLU 310 Ca 0.15 -0.35 -0.22 0.00 -0.50 0.00 0.00 59.36 58.43 1htt h GLU 310 Cb 1.11 0.03 0.01 0.00 -0.84 0.00 0.00 28.75 29.07 1htt h GLU 310 CO -0.00 0.96 -0.81 -0.09 -1.40 0.00 0.00 179.01 177.66 1htt h ARG 311 N 0.45 0.72 0.58 2.33 9.65 -0.91 -2.50 114.38 124.71 1htt h ARG 311 Ca 0.02 -0.61 -0.03 0.00 -1.10 0.00 0.00 59.98 58.25 1htt h ARG 311 Cb 1.06 0.14 0.01 0.00 -1.39 0.00 0.00 29.97 29.78 1htt h ARG 311 CO 0.10 1.22 -0.28 1.25 2.80 0.00 0.00 179.97 185.06 1htt h LEU 312 N 0.48 -0.66 -0.65 3.80 5.85 -1.25 -1.82 115.31 121.06 1htt h LEU 312 Ca -0.06 -0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.79 1htt h LEU 312 Cb 1.44 0.17 -0.11 0.00 0.37 0.00 0.00 40.66 42.53 1htt h LEU 312 CO 0.16 -0.42 0.02 0.58 -0.34 0.00 0.00 178.44 178.44 1htt h VAL 313 N -0.86 0.48 -0.74 1.05 2.07 -1.29 -0.10 116.25 116.86 1htt h VAL 313 Ca -0.08 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1htt h VAL 313 Cb 0.63 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1htt h VAL 313 CO 0.13 0.02 0.41 -0.07 0.02 0.00 0.00 177.57 178.09 1htt h LEU 314 N 0.13 0.91 -0.11 2.57 3.38 -1.43 -1.79 115.31 118.98 1htt h LEU 314 Ca 0.34 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.15 1htt h LEU 314 Cb 0.56 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1htt h LEU 314 CO -0.54 0.73 -0.30 0.25 0.09 0.00 0.00 178.44 178.67 1htt h LEU 315 N 1.03 0.45 0.64 1.67 5.85 -0.23 -2.72 115.31 122.01 1htt h LEU 315 Ca 0.26 -0.59 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 1htt h LEU 315 Cb 0.01 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 1htt h LEU 315 CO -0.04 0.96 -0.40 0.58 -0.34 0.00 0.00 178.44 179.19 1htt h VAL 316 N -0.05 0.00 -1.33 1.05 2.07 -0.76 0.36 116.25 117.60 1htt h VAL 316 Ca -0.01 0.00 0.40 0.00 0.82 0.00 0.00 66.70 67.91 1htt h VAL 316 Cb 0.91 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.58 1htt h VAL 316 CO 0.06 0.00 0.90 1.56 0.02 0.00 0.00 177.57 180.11 1htt h GLN 317 N -0.98 0.12 0.15 1.57 4.20 -1.42 0.57 115.11 119.32 1htt h GLN 317 Ca -0.09 -0.01 -0.30 0.00 0.06 0.00 0.00 58.65 58.32 1htt h GLN 317 Cb 0.79 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.55 1htt h GLN 317 CO 0.08 0.08 -1.46 0.00 -0.67 0.00 0.00 178.83 176.86 1htt h ALA 318 N 1.48 0.11 0.00 3.87 0.00 -0.96 -3.16 119.26 120.60 1htt h ALA 318 Ca 0.73 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1htt h ALA 318 Cb 2.45 0.40 0.00 0.00 0.00 0.00 0.00 17.79 20.64 1htt h ALA 318 CO -0.25 0.83 -0.92 0.28 0.00 0.00 0.00 179.25 179.19 1htt h VAL 319 N -0.14 0.00 -0.02 0.00 2.07 0.17 -3.38 116.25 114.95 1htt h VAL 319 Ca -0.30 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1htt h VAL 319 Cb 1.89 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 1htt h VAL 319 CO 0.13 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.31 1htt n ASN 320 N -2.68 2.43 0.00 0.57 3.02 0.19 -4.99 115.26 113.80 1htt n ASN 320 Ca 0.00 -2.95 0.00 0.00 -0.03 0.00 0.00 54.58 51.61 1htt n ASN 320 Cb 0.54 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 1htt n ASN 320 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1htt n PRO 321 N -1.24 0.00 -1.08 3.52 -0.02 -1.19 -2.19 135.00 132.80 1htt n PRO 321 Ca 0.14 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.41 1htt n PRO 321 Cb 0.61 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.98 1htt n PRO 321 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1htt n GLU 322 N -0.78 2.58 -3.94 -0.52 4.71 -1.26 -4.63 120.64 116.79 1htt n GLU 322 Ca 0.00 -1.43 -0.30 0.00 -0.01 0.00 0.00 57.16 55.42 1htt n GLU 322 Cb 0.00 -2.29 -0.14 0.00 -1.01 0.00 0.00 31.44 28.00 1htt n GLU 322 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 1htt s PHE 323 N 1.54 3.23 0.34 -0.32 2.19 -0.93 -5.07 117.98 118.96 1htt s PHE 323 Ca 0.66 -3.15 0.04 0.00 0.33 0.00 0.00 56.93 54.81 1htt s PHE 323 Cb 0.26 -2.84 -0.01 0.00 -1.31 0.00 0.00 43.02 39.11 1htt s PHE 323 CO -0.02 -0.76 0.50 0.15 1.83 0.00 0.00 175.22 176.92 1htt s LYS 324 N -0.22 3.20 0.42 10.12 3.01 -1.26 -5.00 119.74 130.01 1htt s LYS 324 Ca 0.17 -0.79 0.07 0.00 -1.01 0.00 0.00 55.97 54.40 1htt s LYS 324 Cb -0.25 -2.76 -0.05 0.00 -1.01 0.00 0.00 37.83 33.75 1htt s LYS 324 CO -0.01 0.07 0.13 0.00 0.51 0.00 0.00 175.35 176.05 1htt s ALA 325 N -2.23 3.54 0.21 5.17 0.00 -1.26 -5.03 121.76 122.16 1htt s ALA 325 Ca 0.43 -2.03 -0.30 0.00 0.00 0.00 0.00 51.96 50.07 1htt s ALA 325 Cb -0.10 -0.22 -0.09 0.00 0.00 0.00 0.00 23.12 22.72 1htt s ALA 325 CO 0.33 -0.16 1.29 -0.51 0.00 0.00 0.00 175.76 176.71 1htt s ASP 326 N -3.87 6.91 1.03 0.00 1.11 -1.26 -5.00 116.67 115.59 1htt s ASP 326 Ca 0.37 2.41 -0.12 0.00 0.18 0.00 0.00 52.55 55.40 1htt s ASP 326 Cb 0.05 -2.61 0.21 0.00 1.07 0.00 0.00 42.92 41.64 1htt s ASP 326 CO 0.20 -0.50 1.07 -2.16 1.18 0.00 0.00 175.17 174.96 1htt s PRO 327 N -0.34 0.15 -0.03 8.23 0.04 -1.26 -4.99 135.00 136.80 1htt s PRO 327 Ca 0.55 0.94 -0.17 0.00 0.04 0.00 0.00 61.00 62.36 1htt s PRO 327 Cb -0.36 -1.67 -0.32 0.00 0.04 0.00 0.00 34.50 32.18 1htt s PRO 327 CO 0.40 -3.03 0.84 -0.39 0.04 0.00 0.00 177.00 174.86 1htt h VAL 328 N -2.13 1.28 -3.83 -0.36 -1.51 -1.92 -3.45 116.25 104.32 1htt h VAL 328 Ca -0.54 -2.57 -0.68 0.00 -1.23 0.00 0.00 66.70 61.68 1htt h VAL 328 Cb 1.31 3.01 -0.27 0.00 -2.13 0.00 0.00 31.29 33.21 1htt h VAL 328 CO 0.50 0.76 -0.81 -0.69 -1.23 0.00 0.00 177.57 176.11 1htt s VAL 329 N -2.51 2.70 -0.25 7.19 1.01 -1.23 -4.76 120.40 122.54 1htt s VAL 329 Ca -0.13 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 1htt s VAL 329 Cb 0.03 -2.06 -0.15 0.00 0.00 0.00 0.00 36.38 34.20 1htt s VAL 329 CO 0.86 0.57 -0.18 0.47 0.00 0.00 0.00 175.10 176.82 1htt n ASP 330 N 2.87 1.96 -4.24 3.32 8.00 0.92 -3.46 116.55 125.92 1htt n ASP 330 Ca -0.18 0.23 -0.33 0.00 0.71 0.00 0.00 54.79 55.23 1htt n ASP 330 Cb 0.52 -0.75 -0.16 0.00 -0.02 0.00 0.00 41.12 40.71 1htt n ASP 330 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1htt s ILE 331 N -2.49 2.48 -0.21 0.53 1.01 -0.58 -1.62 121.20 120.32 1htt s ILE 331 Ca -0.35 -0.84 -0.08 0.00 0.00 0.00 0.00 60.65 59.38 1htt s ILE 331 Cb 0.11 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 1htt s ILE 331 CO 0.55 0.53 0.09 -0.47 0.00 0.00 0.00 174.94 175.64 1htt s TYR 332 N 0.76 3.24 -0.60 3.97 5.04 -0.71 -1.40 117.35 127.66 1htt s TYR 332 Ca -0.07 0.03 -0.20 0.00 -2.44 0.00 0.00 57.07 54.39 1htt s TYR 332 Cb -0.16 -2.15 0.09 0.00 0.35 0.00 0.00 41.96 40.09 1htt s TYR 332 CO 0.00 0.05 0.78 -1.17 -1.34 0.00 0.00 175.55 173.87 1htt s LEU 333 N 0.75 5.03 0.32 6.97 0.20 -0.28 -1.08 118.68 130.60 1htt s LEU 333 Ca 0.05 -1.23 -0.27 0.00 0.69 0.00 0.00 54.13 53.36 1htt s LEU 333 Cb -0.13 -2.36 -0.09 0.00 -0.43 0.00 0.00 46.19 43.17 1htt s LEU 333 CO 0.02 -1.19 1.02 -0.69 -0.29 0.00 0.00 176.35 175.22 1htt s VAL 334 N 3.10 3.82 -0.28 1.68 1.01 0.51 -1.06 120.40 129.18 1htt s VAL 334 Ca 0.15 1.63 -0.14 0.00 0.00 0.00 0.00 61.98 63.62 1htt s VAL 334 Cb -0.21 -3.95 0.09 0.00 0.00 0.00 0.00 36.38 32.31 1htt s VAL 334 CO 0.08 0.23 0.66 0.00 0.00 0.00 0.00 175.10 176.07 1htt s ALA 335 N -1.41 -1.88 0.09 5.51 0.00 -1.26 -2.11 121.76 120.71 1htt s ALA 335 Ca 0.49 2.35 -0.05 0.00 0.00 0.00 0.00 51.96 54.74 1htt s ALA 335 Cb -0.25 -1.50 -0.02 0.00 0.00 0.00 0.00 23.12 21.35 1htt s ALA 335 CO 0.32 -0.54 0.12 0.45 0.00 0.00 0.00 175.76 176.11 1htt s SER 336 N 2.00 0.24 0.00 0.00 0.15 -0.74 -4.89 113.70 110.47 1htt s SER 336 Ca -0.09 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 55.70 1htt s SER 336 Cb -0.07 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 1htt s SER 336 CO -0.19 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.14 1htt n GLY 337 N -0.04 2.78 3.69 9.45 0.00 -1.26 -3.95 105.19 115.86 1htt n GLY 337 Ca -0.12 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 1htt n GLY 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1htt n ALA 338 N -0.20 2.11 -4.44 4.61 0.00 -1.26 -3.01 120.51 118.33 1htt n ALA 338 Ca 0.00 0.31 -0.40 0.00 0.00 0.00 0.00 53.44 53.36 1htt n ALA 338 Cb 0.00 -2.59 -0.07 0.00 0.00 0.00 0.00 19.45 16.80 1htt n ALA 338 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1htt n ASP 339 N 5.65 -1.79 0.15 0.00 2.03 -1.26 -4.86 116.55 116.48 1htt n ASP 339 Ca 0.18 -1.20 0.04 0.00 0.52 0.00 0.00 54.79 54.34 1htt n ASP 339 Cb 0.37 -1.89 0.05 0.00 -0.72 0.00 0.00 41.12 38.93 1htt n ASP 339 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1htt h THR 340 N -1.14 0.71 -0.71 5.18 1.35 -1.85 -3.40 112.91 113.06 1htt h THR 340 Ca -0.61 -2.00 0.05 0.00 -0.55 0.00 0.00 66.41 63.30 1htt h THR 340 Cb 1.39 2.35 -0.04 0.00 -1.73 0.00 0.00 68.15 70.11 1htt h THR 340 CO 0.85 0.40 0.46 1.56 -0.25 0.00 0.00 175.52 178.54 1htt h GLN 341 N 0.00 0.77 -0.25 4.72 1.08 -1.89 0.12 115.11 119.66 1htt h GLN 341 Ca -0.00 -0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 57.05 1htt h GLN 341 Cb 1.31 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.56 1htt h GLN 341 CO 0.05 0.51 -0.26 0.77 -0.95 0.00 0.00 178.83 178.95 1htt h SER 342 N 0.80 0.49 0.31 1.46 0.02 -2.00 -0.90 113.55 113.73 1htt h SER 342 Ca 0.29 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1htt h SER 342 Cb 0.15 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1htt h SER 342 CO -0.09 0.74 -0.15 0.00 -1.14 0.00 0.00 176.83 176.19 1htt h ALA 343 N 1.30 -0.42 -0.29 3.77 0.00 -1.18 0.77 119.26 123.21 1htt h ALA 343 Ca 0.06 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1htt h ALA 343 Cb 0.68 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 1htt h ALA 343 CO 0.05 -0.63 -0.33 0.00 0.00 0.00 0.00 179.25 178.34 1htt h ALA 344 N -0.02 -0.27 -0.43 0.00 0.00 -0.73 0.15 119.26 117.95 1htt h ALA 344 Ca -0.04 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1htt h ALA 344 Cb 0.45 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1htt h ALA 344 CO 0.07 -0.76 0.15 0.52 0.00 0.00 0.00 179.25 179.22 1htt h MET 345 N -0.31 0.63 -0.64 0.00 2.86 -1.14 -0.76 114.93 115.55 1htt h MET 345 Ca 0.14 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.61 1htt h MET 345 Cb 0.54 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 1htt h MET 345 CO -0.47 0.54 0.11 0.00 1.06 0.00 0.00 176.91 178.15 1htt h ALA 346 N 1.55 0.98 -0.44 6.32 0.00 0.44 -1.70 119.26 126.40 1htt h ALA 346 Ca 0.15 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 1htt h ALA 346 Cb 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1htt h ALA 346 CO -0.01 0.65 -0.29 1.25 0.00 0.00 0.00 179.25 180.84 1htt h LEU 347 N 0.98 1.02 -0.46 0.00 5.85 -0.11 -2.31 115.31 120.28 1htt h LEU 347 Ca 0.20 -0.43 0.05 0.00 0.84 0.00 0.00 57.88 58.54 1htt h LEU 347 Cb 0.42 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1htt h LEU 347 CO 0.01 1.23 0.21 0.00 -0.34 0.00 0.00 178.44 179.55 1htt h ALA 348 N 0.83 0.58 -0.50 1.25 0.00 -1.02 0.94 119.26 121.32 1htt h ALA 348 Ca 0.09 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1htt h ALA 348 Cb 0.88 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1htt h ALA 348 CO 0.08 -0.16 0.03 0.93 0.00 0.00 0.00 179.25 180.12 1htt h GLU 349 N 0.41 0.83 -0.21 0.00 4.39 -1.09 -1.42 114.58 117.49 1htt h GLU 349 Ca 0.21 -0.22 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1htt h GLU 349 Cb 0.16 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1htt h GLU 349 CO -0.17 0.81 -0.13 -0.09 -1.16 0.00 0.00 179.01 178.27 1htt h ARG 350 N 0.78 0.46 0.00 2.33 1.12 -0.81 -1.90 114.38 116.35 1htt h ARG 350 Ca 0.15 -0.21 -0.01 0.00 -1.11 0.00 0.00 59.98 58.80 1htt h ARG 350 Cb 0.43 -0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.38 1htt h ARG 350 CO 0.02 0.76 -0.05 -0.07 -3.11 0.00 0.00 179.97 177.52 1htt h LEU 351 N 0.15 0.00 -0.29 3.80 3.38 -0.66 -0.91 115.31 120.78 1htt h LEU 351 Ca 0.04 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 1htt h LEU 351 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1htt h LEU 351 CO 0.04 0.05 -0.62 0.03 0.09 0.00 0.00 178.44 178.02 1htt h ARG 352 N 0.00 0.80 -0.33 1.13 3.08 -0.66 0.15 114.38 118.55 1htt h ARG 352 Ca -0.00 -0.55 -0.10 0.00 0.07 0.00 0.00 59.98 59.40 1htt h ARG 352 Cb 0.15 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1htt h ARG 352 CO 0.01 1.18 -0.22 -0.44 -1.07 0.00 0.00 179.97 179.42 1htt h ASP 353 N 0.59 0.63 0.91 7.04 3.32 -0.56 -3.25 116.42 125.09 1htt h ASP 353 Ca -0.01 -0.21 -0.17 0.00 0.02 0.00 0.00 57.03 56.66 1htt h ASP 353 Cb 1.23 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 1htt h ASP 353 CO 0.13 0.84 -1.18 -0.33 -1.72 0.00 0.00 179.24 176.99 1htt h GLU 354 N 0.55 0.00 -3.23 3.56 5.08 -1.10 -3.39 114.58 116.06 1htt h GLU 354 Ca 0.08 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.80 1htt h GLU 354 Cb 0.68 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.52 1htt h GLU 354 CO 0.05 0.45 -0.55 -0.51 -1.00 0.00 0.00 179.01 177.45 1htt s LEU 355 N -6.10 4.73 0.18 1.33 1.43 0.52 -5.06 118.68 115.72 1htt s LEU 355 Ca -0.01 -3.51 -0.32 0.00 -1.03 0.00 0.00 54.13 49.26 1htt s LEU 355 Cb 0.08 -1.67 -0.11 0.00 0.03 0.00 0.00 46.19 44.52 1htt s LEU 355 CO 0.80 -0.16 1.75 -2.84 0.23 0.00 0.00 176.35 176.13 1htt s PRO 356 N -0.98 4.13 0.00 1.29 0.02 -1.25 -2.43 135.00 135.78 1htt s PRO 356 Ca 0.22 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.83 1htt s PRO 356 Cb -0.13 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.15 1htt s PRO 356 CO -0.10 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.21 1htt n GLY 357 N 4.05 0.44 3.79 0.52 0.00 -1.26 -5.03 105.19 107.69 1htt n GLY 357 Ca 0.16 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 1htt n GLY 357 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1htt s VAL 358 N -2.00 5.35 -0.71 1.61 1.01 -1.02 -5.04 120.40 119.60 1htt s VAL 358 Ca 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.89 1htt s VAL 358 Cb 0.00 -3.38 0.05 0.00 0.00 0.00 0.00 36.38 33.05 1htt s VAL 358 CO 0.00 0.53 1.14 -0.54 0.00 0.00 0.00 175.10 176.24 1htt s LYS 359 N -0.34 3.16 -0.12 2.72 1.02 -1.26 -4.97 119.74 119.94 1htt s LYS 359 Ca 0.11 -0.52 0.00 0.00 0.02 0.00 0.00 55.97 55.59 1htt s LYS 359 Cb -0.12 -4.22 -0.01 0.00 -0.52 0.00 0.00 37.83 32.96 1htt s LYS 359 CO 0.01 -2.00 -0.14 -1.17 -0.92 0.00 0.00 175.35 171.13 1htt s LEU 360 N 4.99 2.70 -0.10 3.17 0.20 -1.26 -0.05 118.68 128.32 1htt s LEU 360 Ca 0.30 -0.33 0.03 0.00 0.69 0.00 0.00 54.13 54.82 1htt s LEU 360 Cb -0.12 -1.60 -0.00 0.00 -0.43 0.00 0.00 46.19 44.04 1htt s LEU 360 CO 0.12 0.18 -0.22 -0.32 -0.29 0.00 0.00 176.35 175.82 1htt s MET 361 N 0.29 3.08 -0.14 1.98 1.75 -0.49 -4.98 119.30 120.78 1htt s MET 361 Ca -0.10 -0.84 -0.22 0.00 -1.25 0.00 0.00 55.69 53.29 1htt s MET 361 Cb -0.16 -2.36 -0.03 0.00 2.84 0.00 0.00 34.83 35.12 1htt s MET 361 CO 0.06 0.21 0.64 0.99 -0.65 0.00 0.00 175.02 176.26 1htt s THR 362 N 0.30 5.05 0.41 10.11 2.01 -1.26 -1.12 115.64 131.13 1htt s THR 362 Ca -0.16 1.26 -0.27 0.00 0.31 0.00 0.00 61.69 62.84 1htt s THR 362 Cb -0.17 -3.97 -0.10 0.00 0.01 0.00 0.00 72.50 68.27 1htt s THR 362 CO 0.08 0.18 1.44 0.21 -0.69 0.00 0.00 174.62 175.84 1htt s ASN 363 N 0.97 6.14 0.11 3.53 2.47 -0.23 -4.93 114.94 123.00 1htt s ASN 363 Ca 0.32 2.95 0.03 0.00 0.42 0.00 0.00 52.86 56.58 1htt s ASN 363 Cb -0.16 -2.66 -0.04 0.00 -1.45 0.00 0.00 41.25 36.94 1htt s ASN 363 CO 0.13 -1.00 -0.09 -1.00 -3.72 0.00 0.00 177.10 171.42 1htt s HIS 364 N -1.17 1.03 -0.12 0.43 3.76 -1.26 -4.85 115.29 113.11 1htt s HIS 364 Ca 0.57 -0.75 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 1htt s HIS 364 Cb -0.44 -0.57 0.00 0.00 1.11 0.00 0.00 32.58 32.68 1htt s HIS 364 CO 0.59 -0.03 0.00 0.41 -0.85 0.00 0.00 174.74 174.86 1htt n GLY 365 N 0.26 0.48 7.00 -2.22 0.00 -1.26 -4.86 105.19 104.59 1htt n GLY 365 Ca -0.14 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1htt n GLY 365 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1htt n GLY 366 N -2.83 0.23 0.00 -0.02 0.00 -1.26 -5.04 105.19 96.27 1htt n GLY 366 Ca -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1htt n GLY 366 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1htt n GLY 367 N 0.00 3.36 3.78 -0.02 0.00 -1.26 -4.90 105.19 106.15 1htt n GLY 367 Ca 0.00 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 1htt n GLY 367 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1htt s ASN 368 N 0.00 4.44 0.30 1.61 2.20 -1.26 -4.73 114.94 117.49 1htt s ASN 368 Ca 0.00 1.52 0.04 0.00 -0.94 0.00 0.00 52.86 53.47 1htt s ASN 368 Cb 0.00 -2.26 0.64 0.00 -2.00 0.00 0.00 41.25 37.63 1htt s ASN 368 CO 0.00 -2.03 1.82 -0.26 -2.94 0.00 0.00 177.10 173.69 1htt h PHE 369 N -1.13 1.09 -0.27 1.54 -1.00 -1.98 0.37 116.94 115.56 1htt h PHE 369 Ca -0.46 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.35 1htt h PHE 369 Cb 1.25 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 40.46 1htt h PHE 369 CO 0.51 0.37 0.17 -0.22 -1.61 0.00 0.00 178.31 177.53 1htt h LYS 370 N 0.90 0.37 0.20 1.51 3.64 -1.99 0.15 116.57 121.34 1htt h LYS 370 Ca 0.52 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.85 1htt h LYS 370 Cb 0.64 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1htt h LYS 370 CO -0.29 0.28 -0.09 0.87 -2.27 0.00 0.00 179.45 177.95 1htt h LYS 371 N 0.35 -0.25 -0.27 1.90 1.57 -1.53 -1.05 116.57 117.29 1htt h LYS 371 Ca 0.10 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.97 1htt h LYS 371 Cb 0.01 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1htt h LYS 371 CO -0.02 -0.12 0.21 1.96 -0.57 0.00 0.00 179.45 180.91 1htt h GLN 372 N -0.33 0.00 0.08 3.15 4.20 -0.58 -0.47 115.11 121.16 1htt h GLN 372 Ca -0.03 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.40 1htt h GLN 372 Cb 0.26 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.06 1htt h GLN 372 CO 0.04 0.00 -1.18 0.74 -0.67 0.00 0.00 178.83 177.77 1htt h PHE 373 N 0.00 0.98 -0.84 2.96 0.04 0.14 -2.22 116.94 118.00 1htt h PHE 373 Ca 0.13 -0.59 0.02 0.00 2.80 0.00 0.00 57.97 60.32 1htt h PHE 373 Cb 0.54 -0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.55 1htt h PHE 373 CO 0.00 1.43 0.55 0.00 -0.60 0.00 0.00 178.31 179.69 1htt h ALA 374 N 0.36 1.08 -0.93 2.45 0.00 -0.10 -1.27 119.26 120.85 1htt h ALA 374 Ca -0.16 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1htt h ALA 374 Cb 1.84 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.27 1htt h ALA 374 CO 0.22 0.42 0.61 0.00 0.00 0.00 0.00 179.25 180.50 1htt h ARG 375 N 1.09 1.18 -0.75 0.00 -0.00 -1.05 -0.08 114.38 114.78 1htt h ARG 375 Ca 0.32 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.98 59.72 1htt h ARG 375 Cb -0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 29.97 29.61 1htt h ARG 375 CO -0.09 0.78 0.41 0.00 0.00 0.00 0.00 179.97 181.07 1htt h ALA 376 N 1.36 1.32 -0.42 0.04 0.00 -0.63 -2.56 119.26 118.36 1htt h ALA 376 Ca 0.36 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1htt h ALA 376 Cb -0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1htt h ALA 376 CO -0.10 0.56 -0.26 -0.44 0.00 0.00 0.00 179.25 179.01 1htt h ASP 377 N 1.04 0.96 -0.94 0.00 3.32 -0.32 -2.03 116.42 118.45 1htt h ASP 377 Ca 0.26 -0.42 0.16 0.00 0.02 0.00 0.00 57.03 57.05 1htt h ASP 377 Cb 0.02 -0.27 -0.10 0.00 0.22 0.00 0.00 39.33 39.21 1htt h ASP 377 CO -0.04 1.18 0.53 0.50 -1.72 0.00 0.00 179.24 179.69 1htt h LYS 378 N 0.75 0.71 -0.00 3.56 3.64 -0.64 -2.40 116.57 122.17 1htt h LYS 378 Ca 0.09 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1htt h LYS 378 Cb 0.84 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1htt h LYS 378 CO 0.07 0.47 -0.14 0.91 -2.27 0.00 0.00 179.45 178.49 1htt n TRP 379 N -4.80 0.00 -1.66 1.91 7.02 -1.09 -4.93 117.44 113.89 1htt n TRP 379 Ca 0.20 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.68 1htt n TRP 379 Cb 0.49 -0.39 0.00 0.00 -2.42 0.00 0.00 31.31 28.99 1htt n TRP 379 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1htt n GLY 380 N 1.46 0.63 3.74 6.99 0.00 -0.91 -3.52 105.19 113.59 1htt n GLY 380 Ca 0.08 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 1htt n GLY 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1htt s ALA 381 N -2.00 3.43 0.03 4.61 0.00 -0.77 -4.67 121.76 122.39 1htt s ALA 381 Ca 0.00 0.94 -0.08 0.00 0.00 0.00 0.00 51.96 52.82 1htt s ALA 381 Cb 0.00 -3.40 -0.30 0.00 0.00 0.00 0.00 23.12 19.41 1htt s ALA 381 CO 0.00 -0.35 0.99 0.00 0.00 0.00 0.00 175.76 176.40 1htt h ARG 382 N 5.16 0.35 -5.78 0.00 -0.00 -1.53 -3.45 114.38 109.13 1htt h ARG 382 Ca -0.45 -0.60 -0.49 0.00 -0.50 0.00 0.00 59.98 57.95 1htt h ARG 382 Cb 1.21 0.22 -0.21 0.00 0.00 0.00 0.00 29.97 31.20 1htt h ARG 382 CO 0.74 1.26 -0.80 0.08 0.00 0.00 0.00 179.97 181.25 1htt s VAL 383 N -2.62 1.47 -0.02 2.04 1.01 -1.15 -1.17 120.40 119.95 1htt s VAL 383 Ca -0.08 -1.51 0.07 0.00 0.00 0.00 0.00 61.98 60.46 1htt s VAL 383 Cb 0.06 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 1htt s VAL 383 CO 0.89 -0.18 -0.22 0.00 0.00 0.00 0.00 175.10 175.60 1htt s ALA 384 N -1.38 1.79 -0.19 5.51 0.00 -0.68 -1.73 121.76 125.08 1htt s ALA 384 Ca 0.04 -0.93 -0.07 0.00 0.00 0.00 0.00 51.96 51.01 1htt s ALA 384 Cb -0.09 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 1htt s ALA 384 CO 0.04 0.44 0.05 0.08 0.00 0.00 0.00 175.76 176.36 1htt s VAL 385 N -0.49 4.54 -0.02 0.00 1.01 -0.24 -1.37 120.40 123.83 1htt s VAL 385 Ca 0.08 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1htt s VAL 385 Cb -0.08 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 1htt s VAL 385 CO -0.01 0.44 -0.06 -0.69 0.00 0.00 0.00 175.10 174.78 1htt s VAL 386 N 0.60 3.70 -0.22 2.92 1.01 -0.28 -0.36 120.40 127.77 1htt s VAL 386 Ca 0.02 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 1htt s VAL 386 Cb -0.13 -2.58 0.08 0.00 0.00 0.00 0.00 36.38 33.75 1htt s VAL 386 CO 0.02 0.45 0.13 -0.76 0.00 0.00 0.00 175.10 174.94 1htt s LEU 387 N -1.26 0.29 0.00 3.92 1.02 -0.89 -2.04 118.68 119.72 1htt s LEU 387 Ca 0.16 -0.76 0.04 0.00 0.02 0.00 0.00 54.13 53.59 1htt s LEU 387 Cb -0.11 -0.13 0.04 0.00 0.02 0.00 0.00 46.19 46.01 1htt s LEU 387 CO 0.06 -0.37 0.32 0.61 0.02 0.00 0.00 176.35 176.98 1htt n GLY 388 N 5.28 2.42 0.23 -3.19 0.00 -1.25 -1.78 105.19 106.88 1htt n GLY 388 Ca -0.06 -2.21 -0.06 0.00 0.00 0.00 0.00 46.02 43.69 1htt n GLY 388 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1htt h GLU 389 N 0.00 0.69 -0.53 1.61 4.57 -1.89 -2.59 114.58 116.43 1htt h GLU 389 Ca -0.16 -0.04 0.10 0.00 -1.18 0.00 0.00 59.36 58.08 1htt h GLU 389 Cb 0.65 -0.16 -0.08 0.00 -0.16 0.00 0.00 28.75 29.01 1htt h GLU 389 CO 0.24 0.46 0.06 0.77 -1.18 0.00 0.00 179.01 179.35 1htt h SER 390 N 0.71 -0.11 -0.58 1.04 0.02 -1.95 0.90 113.55 113.57 1htt h SER 390 Ca 0.22 0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 61.24 1htt h SER 390 Cb -0.02 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 1htt h SER 390 CO -0.08 -0.03 0.22 -0.33 -1.14 0.00 0.00 176.83 175.47 1htt h GLU 391 N 0.18 0.91 0.17 3.45 3.07 -1.77 0.12 114.58 120.71 1htt h GLU 391 Ca 0.27 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 1htt h GLU 391 Cb 0.41 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1htt h GLU 391 CO -0.40 0.77 -0.08 0.28 -1.40 0.00 0.00 179.01 178.18 1htt h VAL 392 N 0.89 0.91 -0.56 3.13 2.07 -0.72 0.25 116.25 122.22 1htt h VAL 392 Ca 0.21 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1htt h VAL 392 Cb 0.22 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1htt h VAL 392 CO -0.01 0.08 0.36 0.00 0.02 0.00 0.00 177.57 178.01 1htt h ALA 393 N 0.41 0.72 -0.00 1.67 0.00 -0.44 -2.77 119.26 118.85 1htt h ALA 393 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1htt h ALA 393 Cb 0.31 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1htt h ALA 393 CO 0.04 0.18 -0.03 0.09 0.00 0.00 0.00 179.25 179.52 1htt n ASN 394 N -4.67 0.26 -1.10 0.00 3.02 0.37 -4.90 115.26 108.24 1htt n ASN 394 Ca 0.04 -0.65 -0.12 0.00 -0.03 0.00 0.00 54.58 53.82 1htt n ASN 394 Cb 0.04 -0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.07 1htt n ASN 394 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1htt n GLY 395 N 1.18 0.60 3.87 7.41 0.00 0.69 -5.02 105.19 113.92 1htt n GLY 395 Ca 0.18 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 1htt n GLY 395 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1htt s THR 396 N -2.50 2.45 -0.07 2.61 -4.23 -0.14 -2.45 115.64 111.31 1htt s THR 396 Ca 0.00 -1.41 -0.04 0.00 -1.18 0.00 0.00 61.69 59.07 1htt s THR 396 Cb 0.00 -2.85 0.03 0.00 1.34 0.00 0.00 72.50 71.02 1htt s THR 396 CO 0.00 0.00 0.16 0.00 -0.54 0.00 0.00 174.62 174.24 1htt s ALA 397 N -2.54 -0.33 -0.11 3.99 0.00 -0.39 -4.45 121.76 117.94 1htt s ALA 397 Ca 0.45 0.66 -0.24 0.00 0.00 0.00 0.00 51.96 52.83 1htt s ALA 397 Cb -0.02 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1htt s ALA 397 CO 0.26 -0.14 0.75 0.08 0.00 0.00 0.00 175.76 176.72 1htt s VAL 398 N 0.92 4.98 -0.27 0.00 1.01 -0.86 -1.46 120.40 124.71 1htt s VAL 398 Ca -0.07 1.52 -0.12 0.00 0.00 0.00 0.00 61.98 63.32 1htt s VAL 398 Cb -0.09 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 1htt s VAL 398 CO -0.05 0.16 0.21 -0.69 0.00 0.00 0.00 175.10 174.74 1htt s VAL 399 N 1.34 5.30 -0.27 2.92 1.01 0.60 -1.13 120.40 130.17 1htt s VAL 399 Ca 0.38 0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.56 1htt s VAL 399 Cb -0.17 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.68 1htt s VAL 399 CO 0.16 0.26 0.01 -0.75 0.00 0.00 0.00 175.10 174.79 1htt s LYS 400 N 1.62 2.94 -0.53 2.72 2.47 -0.47 -0.88 119.74 127.61 1htt s LYS 400 Ca 0.08 -0.93 -0.27 0.00 -1.56 0.00 0.00 55.97 53.29 1htt s LYS 400 Cb -0.15 -3.19 0.03 0.00 -1.46 0.00 0.00 37.83 33.06 1htt s LYS 400 CO 0.09 -0.43 1.06 0.34 0.16 0.00 0.00 175.35 176.57 1htt s ASP 401 N 1.41 6.47 0.44 1.43 -1.08 -0.59 -1.69 116.67 123.06 1htt s ASP 401 Ca 0.01 0.07 0.18 0.00 -0.52 0.00 0.00 52.55 52.28 1htt s ASP 401 Cb -0.17 -2.50 1.03 0.00 -1.46 0.00 0.00 42.92 39.82 1htt s ASP 401 CO -0.01 -1.27 1.96 -0.07 0.52 0.00 0.00 175.17 176.30 1htt h LEU 402 N 11.24 0.00 -1.35 -1.34 3.38 -1.47 0.54 115.31 126.31 1htt h LEU 402 Ca -0.25 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1htt h LEU 402 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1htt h LEU 402 CO 1.11 0.23 0.03 0.03 0.09 0.00 0.00 178.44 179.93 1htt h ARG 403 N 0.00 0.47 0.00 1.13 -0.00 -1.89 -3.33 114.38 110.76 1htt h ARG 403 Ca -0.00 -0.08 0.00 0.00 -0.50 0.00 0.00 59.98 59.39 1htt h ARG 403 Cb 0.44 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.33 1htt h ARG 403 CO 0.03 0.47 -0.35 -1.13 0.00 0.00 0.00 179.97 178.99 1htt n SER 404 N -4.32 1.53 0.00 7.04 3.41 -0.84 -5.01 113.62 115.43 1htt n SER 404 Ca 0.01 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.27 1htt n SER 404 Cb 0.21 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.17 1htt n SER 404 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1htt n GLY 405 N 1.47 2.51 3.61 5.00 0.00 0.18 -4.99 105.19 112.97 1htt n GLY 405 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1htt n GLY 405 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1htt s GLU 406 N -0.21 3.38 -0.09 1.61 2.02 -1.23 -4.65 118.70 119.53 1htt s GLU 406 Ca 0.00 1.77 0.04 0.00 0.02 0.00 0.00 54.97 56.80 1htt s GLU 406 Cb 0.00 -4.24 0.00 0.00 0.10 0.00 0.00 34.13 29.99 1htt s GLU 406 CO 0.00 -1.80 -0.22 1.14 0.02 0.00 0.00 175.26 174.40 1htt s GLN 407 N 5.68 2.73 0.18 1.61 -2.07 -1.26 -1.55 119.66 124.99 1htt s GLN 407 Ca 0.87 -0.80 0.11 0.00 -1.82 0.00 0.00 55.36 53.72 1htt s GLN 407 Cb -0.28 -2.12 -0.04 0.00 -1.09 0.00 0.00 33.01 29.48 1htt s GLN 407 CO 0.34 0.18 -0.23 0.95 -1.32 0.00 0.00 175.29 175.21 1htt s THR 408 N 0.32 2.23 -0.11 3.63 -4.23 -0.06 -4.91 115.64 112.50 1htt s THR 408 Ca -0.16 -1.96 -0.23 0.00 -1.18 0.00 0.00 61.69 58.16 1htt s THR 408 Cb -0.17 -2.04 -0.03 0.00 1.34 0.00 0.00 72.50 71.60 1htt s THR 408 CO 0.07 -0.12 0.69 0.00 -0.54 0.00 0.00 174.62 174.72 1htt s ALA 409 N -1.64 3.41 0.06 3.99 0.00 -1.26 -0.29 121.76 126.03 1htt s ALA 409 Ca 0.18 0.03 0.08 0.00 0.00 0.00 0.00 51.96 52.25 1htt s ALA 409 Cb -0.08 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 1htt s ALA 409 CO 0.09 -0.25 -0.22 0.08 0.00 0.00 0.00 175.76 175.45 1htt s VAL 410 N 1.17 1.77 0.36 0.00 1.01 -0.54 -4.95 120.40 119.23 1htt s VAL 410 Ca 0.35 -1.33 -0.28 0.00 0.00 0.00 0.00 61.98 60.73 1htt s VAL 410 Cb -0.17 -1.55 -0.10 0.00 0.00 0.00 0.00 36.38 34.56 1htt s VAL 410 CO 0.15 0.16 1.36 0.00 0.00 0.00 0.00 175.10 176.78 1htt s ALA 411 N -0.89 3.47 0.52 5.51 0.00 -1.26 -1.26 121.76 127.85 1htt s ALA 411 Ca 0.08 1.35 0.24 0.00 0.00 0.00 0.00 51.96 53.63 1htt s ALA 411 Cb -0.09 -3.52 1.35 0.00 0.00 0.00 0.00 23.12 20.86 1htt s ALA 411 CO 0.03 -0.81 2.00 1.96 0.00 0.00 0.00 175.76 178.93 1htt h GLN 412 N 3.11 0.05 0.00 0.00 4.20 -1.77 0.34 115.11 121.04 1htt h GLN 412 Ca -0.50 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.16 1htt h GLN 412 Cb 1.23 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 1htt h GLN 412 CO 0.64 0.03 -0.22 -0.44 -0.67 0.00 0.00 178.83 178.18 1htt h ASP 413 N 0.05 0.00 0.00 1.46 5.19 -1.90 -3.03 116.42 118.19 1htt h ASP 413 Ca 0.25 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 1htt h ASP 413 Cb 0.94 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.45 1htt h ASP 413 CO -0.01 0.22 -0.89 -1.20 -3.12 0.00 0.00 179.24 174.23 1htt n SER 414 N -3.49 0.89 -0.34 6.45 7.64 0.11 -4.58 113.62 120.29 1htt n SER 414 Ca -0.01 -0.94 0.03 0.00 1.01 0.00 0.00 58.87 58.96 1htt n SER 414 Cb 0.38 1.00 0.19 0.00 -1.01 0.00 0.00 64.21 64.78 1htt n SER 414 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1htt h VAL 415 N 0.00 1.10 -0.17 0.44 2.07 -1.24 -2.65 116.25 115.80 1htt h VAL 415 Ca 0.00 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.15 1htt h VAL 415 Cb 0.45 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1htt h VAL 415 CO 0.00 0.21 0.04 0.00 0.02 0.00 0.00 177.57 177.84 1htt h ALA 416 N 1.47 0.18 -0.67 1.67 0.00 -1.81 -0.53 119.26 119.56 1htt h ALA 416 Ca 0.41 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 1htt h ALA 416 Cb 0.14 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1htt h ALA 416 CO -0.15 -0.39 0.41 0.00 0.00 0.00 0.00 179.25 179.11 1htt h ALA 417 N 1.11 1.45 -0.28 0.00 0.00 -1.83 -0.67 119.26 119.05 1htt h ALA 417 Ca 0.07 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1htt h ALA 417 Cb 0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1htt h ALA 417 CO -0.09 0.48 -0.16 0.45 0.00 0.00 0.00 179.25 179.93 1htt h HIS 418 N 0.92 0.52 -0.19 0.00 3.86 -0.89 -1.89 115.15 117.49 1htt h HIS 418 Ca 0.24 -0.09 -0.20 0.00 -1.16 0.00 0.00 60.37 59.17 1htt h HIS 418 Cb -0.04 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.29 1htt h HIS 418 CO 0.00 0.62 -0.67 -0.07 0.86 0.00 0.00 177.93 178.67 1htt h LEU 419 N 0.44 0.85 -0.54 2.43 3.38 -0.31 -2.04 115.31 119.51 1htt h LEU 419 Ca 0.08 -0.51 0.08 0.00 0.09 0.00 0.00 57.88 57.62 1htt h LEU 419 Cb 0.53 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 1htt h LEU 419 CO 0.03 1.29 0.19 0.03 0.09 0.00 0.00 178.44 180.08 1htt h ARG 420 N 0.53 0.36 -0.15 1.13 3.08 -0.73 0.17 114.38 118.78 1htt h ARG 420 Ca -0.02 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.02 1htt h ARG 420 Cb 1.28 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 1htt h ARG 420 CO 0.14 0.24 0.03 1.15 -1.07 0.00 0.00 179.97 180.46 1htt h THR 421 N 0.37 0.94 -0.09 2.04 2.02 -1.31 -1.82 112.91 115.05 1htt h THR 421 Ca 0.27 -0.03 -0.09 0.00 0.77 0.00 0.00 66.41 67.32 1htt h THR 421 Cb 0.31 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1htt h THR 421 CO -0.27 0.02 -0.36 -0.07 0.37 0.00 0.00 175.52 175.20 1htt h LEU 422 N 0.10 0.20 0.03 2.58 3.38 -0.02 -3.34 115.31 118.23 1htt h LEU 422 Ca 0.06 -0.07 -0.33 0.00 0.09 0.00 0.00 57.88 57.63 1htt h LEU 422 Cb 0.05 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1htt h LEU 422 CO -0.08 0.55 -1.82 0.18 0.09 0.00 0.00 178.44 177.36 1htt n LEU 423 N -4.07 2.14 0.00 1.67 4.77 0.16 -5.09 117.00 116.58 1htt n LEU 423 Ca -0.01 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1htt n LEU 423 Cb 0.44 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1htt n LEU 423 CO 0.41 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.60