#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 4.80 0.47 1.53 1.01 -1.26 -5.11 121.20 122.65 1htt s ILE 5 Ca 0.00 0.56 0.02 0.00 0.00 0.00 0.00 60.65 61.23 1htt s ILE 5 Cb 0.00 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1htt s ILE 5 CO 0.00 -0.61 0.06 -1.10 0.00 0.00 0.00 174.94 173.28 1htt s GLN 6 N -4.08 2.10 0.21 2.79 -1.52 -1.26 -5.13 119.66 112.77 1htt s GLN 6 Ca 0.51 -2.32 -0.19 0.00 -1.95 0.00 0.00 55.36 51.41 1htt s GLN 6 Cb -0.10 -1.13 -0.08 0.00 -0.22 0.00 0.00 33.01 31.48 1htt s GLN 6 CO 0.35 -0.43 0.70 0.00 -0.25 0.00 0.00 175.29 175.66 1htt s ALA 7 N -3.01 3.43 0.22 6.09 0.00 -1.26 -5.01 121.76 122.22 1htt s ALA 7 Ca 0.12 0.12 -0.32 0.00 0.00 0.00 0.00 51.96 51.88 1htt s ALA 7 Cb 0.02 -2.77 -0.14 0.00 0.00 0.00 0.00 23.12 20.23 1htt s ALA 7 CO 0.08 0.35 1.40 -0.89 0.00 0.00 0.00 175.76 176.69 1htt n ILE 8 N 0.69 0.83 -1.73 0.00 -0.00 -1.26 -4.86 119.36 113.03 1htt n ILE 8 Ca -0.03 -0.21 -0.42 0.00 -0.00 0.00 0.00 62.75 62.10 1htt n ILE 8 Cb 0.51 -1.41 -0.02 0.00 -0.00 0.00 0.00 39.64 38.72 1htt n ILE 8 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41 1htt n ARG 9 N 2.15 2.69 -1.01 0.38 0.63 -1.26 -1.77 116.66 118.48 1htt n ARG 9 Ca 0.13 0.96 -0.00 0.00 -0.92 0.00 0.00 57.85 58.02 1htt n ARG 9 Cb 0.30 -2.76 -0.00 0.00 0.45 0.00 0.00 32.46 30.45 1htt n ARG 9 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1htt n GLY 10 N 2.74 0.47 3.10 5.14 0.00 -1.26 -4.80 105.19 110.58 1htt n GLY 10 Ca 0.11 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.48 2.84 0.19 1.61 -1.94 -0.73 -0.06 119.30 120.73 1htt s MET 11 Ca 0.00 -0.77 0.01 0.00 -1.71 0.00 0.00 55.69 53.22 1htt s MET 11 Cb 0.00 -2.46 -0.04 0.00 2.01 0.00 0.00 34.83 34.34 1htt s MET 11 CO 0.00 -0.20 0.35 -0.80 -0.01 0.00 0.00 175.02 174.35 1htt s ASN 12 N 1.30 6.35 -0.15 3.03 0.02 -1.26 -4.67 114.94 119.57 1htt s ASN 12 Ca 0.04 0.27 -0.06 0.00 -1.02 0.00 0.00 52.86 52.09 1htt s ASN 12 Cb -0.13 -1.95 -0.04 0.00 0.02 0.00 0.00 41.25 39.15 1htt s ASN 12 CO -0.12 -0.01 0.05 -1.81 0.02 0.00 0.00 177.10 175.22 1htt s ASP 13 N -3.32 5.55 -0.34 -1.22 1.01 -1.26 -5.09 116.67 112.00 1htt s ASP 13 Ca 0.36 0.12 -0.08 0.00 0.71 0.00 0.00 52.55 53.66 1htt s ASP 13 Cb -0.11 -1.85 0.03 0.00 1.01 0.00 0.00 42.92 42.00 1htt s ASP 13 CO 0.29 0.25 0.13 -0.31 0.21 0.00 0.00 175.17 175.74 1htt s TYR 14 N -0.08 3.22 0.83 4.23 2.02 -1.26 -5.08 117.35 121.25 1htt s TYR 14 Ca 0.06 -1.14 -0.12 0.00 -0.37 0.00 0.00 57.07 55.50 1htt s TYR 14 Cb -0.12 -2.32 0.09 0.00 -0.40 0.00 0.00 41.96 39.20 1htt s TYR 14 CO 0.01 -0.66 1.10 -0.51 -1.57 0.00 0.00 175.55 173.93 1htt s LEU 15 N 1.48 2.43 0.25 -1.29 1.43 -1.26 -4.66 118.68 117.06 1htt s LEU 15 Ca 0.01 1.26 -0.06 0.00 -1.03 0.00 0.00 54.13 54.31 1htt s LEU 15 Cb -0.19 -3.79 0.48 0.00 0.03 0.00 0.00 46.19 42.72 1htt s LEU 15 CO 0.04 -2.18 1.64 -0.65 0.23 0.00 0.00 176.35 175.43 1htt h PRO 16 N -1.24 0.12 -0.67 1.29 0.11 -1.99 -0.70 132.00 128.92 1htt h PRO 16 Ca -0.48 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.65 1htt h PRO 16 Cb 1.28 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 1htt h PRO 16 CO 0.59 0.08 0.44 0.78 -0.21 0.00 0.00 178.00 179.68 1htt h GLY 17 N 0.12 0.92 0.88 -0.55 0.00 -2.02 -2.85 103.07 99.56 1htt h GLY 17 Ca 0.43 -0.33 -0.26 0.00 0.00 0.00 0.00 47.33 47.17 1htt h GLY 17 CO -0.66 0.30 -1.70 -2.21 0.00 0.00 0.00 176.54 172.26 1htt n GLU 18 N -4.45 0.63 0.15 4.80 2.13 -0.39 -3.87 120.64 119.64 1htt n GLU 18 Ca 0.08 0.24 0.04 0.00 0.66 0.00 0.00 57.16 58.18 1htt n GLU 18 Cb 0.10 -1.77 0.43 0.00 0.27 0.00 0.00 31.44 30.47 1htt n GLU 18 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1htt h THR 19 N 0.00 1.15 -0.80 6.31 1.03 -1.01 -1.91 112.91 117.67 1htt h THR 19 Ca -0.28 -0.68 0.00 0.00 -0.01 0.00 0.00 66.41 65.44 1htt h THR 19 Cb 1.92 1.21 -0.04 0.00 -1.07 0.00 0.00 68.15 70.17 1htt h THR 19 CO 0.07 0.21 0.52 0.00 -0.01 0.00 0.00 175.52 176.30 1htt h ALA 20 N 1.72 1.02 -0.27 0.00 0.00 -1.62 0.47 119.26 120.58 1htt h ALA 20 Ca 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1htt h ALA 20 Cb 0.33 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1htt h ALA 20 CO 0.02 0.45 0.13 0.82 0.00 0.00 0.00 179.25 180.67 1htt h ILE 21 N 1.09 1.15 -0.43 0.00 1.08 -1.58 -2.74 117.51 116.08 1htt h ILE 21 Ca 0.29 -0.41 0.07 0.00 -0.39 0.00 0.00 64.86 64.41 1htt h ILE 21 Cb -0.10 0.93 -0.06 0.00 -3.07 0.00 0.00 36.82 34.52 1htt h ILE 21 CO -0.06 0.15 0.09 -0.50 -0.69 0.00 0.00 178.15 177.14 1htt h TRP 22 N 0.30 0.15 -0.16 1.37 4.06 -0.64 -1.84 115.95 119.20 1htt h TRP 22 Ca 0.09 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 61.03 1htt h TRP 22 Cb 0.11 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.26 1htt h TRP 22 CO -0.02 0.02 -0.09 -0.56 -3.56 0.00 0.00 178.44 174.22 1htt h GLN 23 N 0.23 0.24 -0.40 0.49 3.07 -0.86 -1.23 115.11 116.65 1htt h GLN 23 Ca 0.21 -0.05 -0.11 0.00 0.09 0.00 0.00 58.65 58.79 1htt h GLN 23 Cb 0.25 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.77 1htt h GLN 23 CO -0.27 0.35 -0.16 -0.09 0.09 0.00 0.00 178.83 178.76 1htt h ARG 24 N 0.24 0.82 -0.42 0.06 2.43 -1.08 -1.43 114.38 114.99 1htt h ARG 24 Ca 0.05 -0.34 -0.15 0.00 -0.81 0.00 0.00 59.98 58.73 1htt h ARG 24 Cb 0.32 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1htt h ARG 24 CO 0.02 0.97 -0.31 0.82 -1.51 0.00 0.00 179.97 179.96 1htt h ILE 25 N 0.63 1.27 -0.38 1.20 2.04 -1.13 -3.01 117.51 118.13 1htt h ILE 25 Ca 0.09 -1.48 -0.15 0.00 1.00 0.00 0.00 64.86 64.32 1htt h ILE 25 Cb 0.71 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1htt h ILE 25 CO 0.05 0.50 -0.35 -0.33 0.00 0.00 0.00 178.15 178.02 1htt h GLU 26 N 0.79 0.88 -0.64 2.37 5.08 -1.13 -2.41 114.58 119.52 1htt h GLU 26 Ca 0.08 -0.44 0.10 0.00 -1.00 0.00 0.00 59.36 58.10 1htt h GLU 26 Cb 0.90 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.08 1htt h GLU 26 CO 0.08 1.09 0.25 0.78 -1.00 0.00 0.00 179.01 180.21 1htt h GLY 27 N 0.85 0.91 1.11 -3.84 0.00 -1.28 -0.90 103.07 99.93 1htt h GLY 27 Ca 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 1htt h GLY 27 CO 0.09 -0.02 0.37 -0.84 0.00 0.00 0.00 176.54 176.14 1htt h THR 28 N 0.44 1.25 -0.19 4.70 2.02 -1.37 -0.66 112.91 119.10 1htt h THR 28 Ca 0.32 -0.72 -0.08 0.00 0.77 0.00 0.00 66.41 66.71 1htt h THR 28 Cb 0.41 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1htt h THR 28 CO -0.31 0.30 -0.18 -0.07 0.37 0.00 0.00 175.52 175.63 1htt h LEU 29 N 1.13 0.49 -1.37 2.58 3.38 -0.90 -2.45 115.31 118.16 1htt h LEU 29 Ca 0.27 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 1htt h LEU 29 Cb 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1htt h LEU 29 CO -0.03 0.86 -0.28 0.11 0.09 0.00 0.00 178.44 179.19 1htt h LYS 30 N 0.12 0.06 0.21 1.13 1.57 -1.02 -2.05 116.57 116.58 1htt h LYS 30 Ca 0.03 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1htt h LYS 30 Cb 0.72 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1htt h LYS 30 CO 0.05 0.33 -0.10 -0.97 -0.57 0.00 0.00 179.45 178.19 1htt h ASN 31 N 0.05 -0.23 0.10 0.86 -0.73 -1.05 -1.36 115.58 113.22 1htt h ASN 31 Ca 0.01 -0.20 -0.01 0.00 1.87 0.00 0.00 56.30 57.96 1htt h ASN 31 Cb 0.52 0.06 -0.00 0.00 0.27 0.00 0.00 38.32 39.17 1htt h ASN 31 CO 0.04 0.08 -0.07 0.58 -0.37 0.00 0.00 177.43 177.69 1htt h VAL 32 N -0.56 0.85 0.01 2.57 2.07 -1.22 -1.35 116.25 118.60 1htt h VAL 32 Ca -0.03 -0.25 -0.26 0.00 0.82 0.00 0.00 66.70 66.99 1htt h VAL 32 Cb 0.42 1.14 0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1htt h VAL 32 CO 0.05 0.07 -1.02 -0.07 0.02 0.00 0.00 177.57 176.61 1htt h LEU 33 N 0.00 0.89 -0.69 2.57 3.38 -1.21 -3.22 115.31 117.03 1htt h LEU 33 Ca -0.00 -0.74 0.06 0.00 0.09 0.00 0.00 57.88 57.28 1htt h LEU 33 Cb 0.13 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1htt h LEU 33 CO 0.01 1.52 0.40 1.23 0.09 0.00 0.00 178.44 181.68 1htt h GLY 34 N 0.35 1.02 1.99 0.83 0.00 -0.80 -1.89 103.07 104.56 1htt h GLY 34 Ca -0.13 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1htt h GLY 34 CO 0.20 0.18 0.01 1.48 0.00 0.00 0.00 176.54 178.41 1htt h SER 35 N 0.73 0.00 -0.17 0.19 4.64 -1.27 -0.57 113.55 117.11 1htt h SER 35 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1htt h SER 35 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1htt h SER 35 CO -0.17 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.57 1htt n TYR 36 N -2.38 0.19 -1.83 4.77 4.02 -0.74 -4.98 117.16 116.21 1htt n TYR 36 Ca -0.02 -0.10 -0.01 0.00 -0.01 0.00 0.00 57.90 57.76 1htt n TYR 36 Cb 0.04 -0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.36 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 1.39 0.35 3.75 2.72 0.00 -0.22 -5.04 105.19 108.14 1htt n GLY 37 Ca 0.16 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.07 3.66 0.10 1.61 1.51 -1.03 -4.91 117.35 116.22 1htt s TYR 38 Ca 0.00 1.21 -0.04 0.00 -1.01 0.00 0.00 57.07 57.23 1htt s TYR 38 Cb 0.00 -2.65 -0.05 0.00 -0.11 0.00 0.00 41.96 39.15 1htt s TYR 38 CO 0.00 0.29 0.31 -1.12 -1.11 0.00 0.00 175.55 173.93 1htt s SER 39 N 0.02 6.46 0.15 2.29 0.01 -0.33 -4.54 113.70 117.75 1htt s SER 39 Ca 0.32 0.50 -0.25 0.00 1.31 0.00 0.00 55.95 57.82 1htt s SER 39 Cb -0.18 -2.05 -0.08 0.00 0.21 0.00 0.00 66.02 63.92 1htt s SER 39 CO 0.17 0.11 0.78 -0.70 0.41 0.00 0.00 173.24 174.02 1htt s GLU 40 N -2.49 4.57 0.02 12.44 2.12 -1.26 -1.03 118.70 133.06 1htt s GLU 40 Ca 0.37 1.16 0.08 0.00 0.36 0.00 0.00 54.97 56.94 1htt s GLU 40 Cb -0.13 -3.28 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 1htt s GLU 40 CO 0.24 0.53 -0.23 -1.50 -0.54 0.00 0.00 175.26 173.77 1htt s ILE 41 N -1.00 1.82 -0.14 -3.70 2.07 -0.17 -4.88 121.20 115.20 1htt s ILE 41 Ca 0.36 -1.14 -0.01 0.00 -1.41 0.00 0.00 60.65 58.46 1htt s ILE 41 Cb -0.23 -1.55 -0.01 0.00 0.13 0.00 0.00 42.46 40.80 1htt s ILE 41 CO 0.26 0.37 -0.12 -0.13 -1.91 0.00 0.00 174.94 173.41 1htt s ARG 42 N -0.91 3.36 0.17 3.50 0.52 -1.26 -4.54 118.95 119.80 1htt s ARG 42 Ca 0.09 -0.69 0.11 0.00 -0.52 0.00 0.00 55.73 54.72 1htt s ARG 42 Cb -0.09 -2.68 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 1htt s ARG 42 CO 0.01 0.13 -0.23 -0.51 0.02 0.00 0.00 175.30 174.72 1htt s LEU 43 N 0.56 2.40 0.69 2.53 1.43 -1.26 -5.14 118.68 119.89 1htt s LEU 43 Ca -0.08 -0.83 -0.16 0.00 -1.03 0.00 0.00 54.13 52.03 1htt s LEU 43 Cb -0.16 -1.10 0.02 0.00 0.03 0.00 0.00 46.19 44.98 1htt s LEU 43 CO 0.04 0.10 1.22 -2.84 0.23 0.00 0.00 176.35 175.10 1htt s PRO 44 N -2.53 2.37 0.23 1.29 0.02 -1.26 -4.97 135.00 130.14 1htt s PRO 44 Ca 0.18 1.82 0.13 0.00 0.02 0.00 0.00 61.00 63.15 1htt s PRO 44 Cb -0.08 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.57 1htt s PRO 44 CO 0.08 -1.68 1.36 0.82 -0.33 0.00 0.00 177.00 177.26 1htt h ILE 45 N 0.06 1.04 -3.32 2.83 2.04 -1.97 -3.45 117.51 114.75 1htt h ILE 45 Ca -0.49 -2.49 -0.65 0.00 1.00 0.00 0.00 64.86 62.23 1htt h ILE 45 Cb 1.30 2.50 -0.26 0.00 -0.74 0.00 0.00 36.82 39.63 1htt h ILE 45 CO 0.51 0.59 -0.74 0.68 0.00 0.00 0.00 178.15 179.19 1htt s VAL 46 N -2.90 3.24 0.39 1.67 -7.23 -1.26 -1.12 120.40 113.19 1htt s VAL 46 Ca 0.03 -0.59 0.06 0.00 -1.81 0.00 0.00 61.98 59.67 1htt s VAL 46 Cb 0.08 -2.38 -0.08 0.00 0.56 0.00 0.00 36.38 34.57 1htt s VAL 46 CO 0.77 0.52 0.02 -1.61 -0.31 0.00 0.00 175.10 174.48 1htt s GLU 47 N 0.37 1.89 0.27 4.82 0.41 -0.84 -4.96 118.70 120.67 1htt s GLU 47 Ca -0.09 -2.07 -0.30 0.00 -0.41 0.00 0.00 54.97 52.10 1htt s GLU 47 Cb -0.16 -1.47 -0.10 0.00 -1.78 0.00 0.00 34.13 30.62 1htt s GLU 47 CO 0.05 -0.08 1.47 -0.65 -0.49 0.00 0.00 175.26 175.55 1htt s GLN 48 N -3.75 4.23 0.38 1.61 -1.52 -1.26 -1.14 119.66 118.21 1htt s GLN 48 Ca 0.35 2.38 0.14 0.00 -1.95 0.00 0.00 55.36 56.28 1htt s GLN 48 Cb 0.10 -3.08 0.96 0.00 -0.22 0.00 0.00 33.01 30.77 1htt s GLN 48 CO 0.17 -0.46 1.84 1.15 -0.25 0.00 0.00 175.29 177.74 1htt h THR 49 N 3.42 0.71 0.00 -0.19 2.02 -1.74 -2.06 112.91 115.08 1htt h THR 49 Ca -0.47 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 1htt h THR 49 Cb 1.22 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1htt h THR 49 CO 0.76 0.10 -0.01 1.55 0.37 0.00 0.00 175.52 178.28 1htt h PRO 50 N 0.53 0.00 -0.29 6.66 0.13 -1.92 -2.39 132.00 134.72 1htt h PRO 50 Ca 0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.62 1htt h PRO 50 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1htt h PRO 50 CO -0.23 0.01 0.19 1.25 -0.23 0.00 0.00 178.00 179.00 1htt h LEU 51 N 0.00 0.34 -0.21 1.56 5.85 -1.76 0.22 115.31 121.32 1htt h LEU 51 Ca -0.00 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 1htt h LEU 51 Cb 0.03 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 1htt h LEU 51 CO 0.00 0.26 -0.16 -0.26 -0.34 0.00 0.00 178.44 177.94 1htt h PHE 52 N 0.39 0.56 -0.63 1.25 0.04 -1.59 0.11 116.94 117.08 1htt h PHE 52 Ca 0.11 -0.16 0.05 0.00 2.80 0.00 0.00 57.97 60.77 1htt h PHE 52 Cb -0.03 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 37.95 1htt h PHE 52 CO -0.05 0.80 0.35 0.87 -0.60 0.00 0.00 178.31 179.68 1htt h LYS 53 N 0.16 0.65 -0.11 1.51 1.79 -1.28 0.13 116.57 119.42 1htt h LYS 53 Ca 0.04 -0.04 -0.15 0.00 -2.18 0.00 0.00 60.65 58.32 1htt h LYS 53 Cb 0.69 -0.15 0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1htt h LYS 53 CO 0.04 0.43 -0.52 0.00 -1.08 0.00 0.00 179.45 178.32 1htt h ARG 54 N 0.66 0.54 0.04 3.15 3.08 -0.27 -2.89 114.38 118.70 1htt h ARG 54 Ca 0.28 -0.44 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 1htt h ARG 54 Cb 0.15 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1htt h ARG 54 CO -0.16 1.07 -0.02 0.00 -1.07 0.00 0.00 179.97 179.78 1htt h ALA 55 N 0.48 -0.05 -0.04 0.04 0.00 -0.62 -3.38 119.26 115.68 1htt h ALA 55 Ca -0.04 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 1htt h ALA 55 Cb 1.17 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1htt h ALA 55 CO 0.11 -0.07 -0.72 0.82 0.00 0.00 0.00 179.25 179.39 1htt h ILE 56 N -0.98 1.43 0.00 0.00 2.04 -0.90 -3.40 117.51 115.70 1htt h ILE 56 Ca -0.01 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.61 1htt h ILE 56 Cb 0.48 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 1htt h ILE 56 CO 0.01 0.66 0.00 0.61 0.00 0.00 0.00 178.15 179.43 1htt n GLY 57 N 0.52 3.23 0.17 5.37 0.00 -1.09 -0.97 105.19 112.42 1htt n GLY 57 Ca -0.03 -1.44 -0.08 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 0.52 -3.63 1.61 4.39 -1.89 -3.31 114.58 112.26 1htt h GLU 58 Ca 0.00 -0.04 -0.79 0.00 0.34 0.00 0.00 59.36 58.87 1htt h GLU 58 Cb 0.00 -0.12 -0.26 0.00 -0.10 0.00 0.00 28.75 28.27 1htt h GLU 58 CO 0.00 0.36 0.65 1.55 -1.16 0.00 0.00 179.01 180.41 1htt n VAL 59 N -4.80 4.63 -3.79 3.13 3.14 -1.26 -4.03 118.33 115.35 1htt n VAL 59 Ca 0.00 -5.35 -0.13 0.00 -2.96 0.00 0.00 64.34 55.91 1htt n VAL 59 Cb 0.03 -2.51 -0.09 0.00 -1.06 0.00 0.00 33.84 30.21 1htt n VAL 59 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1htt s THR 60 N -1.08 0.06 0.46 1.55 -1.32 -1.25 -5.03 115.64 109.03 1htt s THR 60 Ca 0.33 -0.49 0.12 0.00 -1.21 0.00 0.00 61.69 60.43 1htt s THR 60 Cb -0.07 -0.56 0.27 0.00 -1.51 0.00 0.00 72.50 70.64 1htt s THR 60 CO -0.05 -0.27 2.09 0.44 -2.21 0.00 0.00 174.62 174.63 1htt h ASP 61 N 4.09 0.24 -0.10 8.08 3.32 -1.91 0.14 116.42 130.29 1htt h ASP 61 Ca -0.30 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 1htt h ASP 61 Cb 1.18 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 1htt h ASP 61 CO 0.40 0.17 -0.02 0.58 -1.72 0.00 0.00 179.24 178.65 1htt h VAL 62 N 0.29 1.28 0.06 -1.35 2.07 -1.93 0.11 116.25 116.78 1htt h VAL 62 Ca 0.09 -0.91 -0.22 0.00 0.82 0.00 0.00 66.70 66.48 1htt h VAL 62 Cb 0.03 1.69 0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1htt h VAL 62 CO -0.02 0.26 -0.90 0.58 0.02 0.00 0.00 177.57 177.51 1htt h VAL 63 N -0.12 1.37 -0.05 2.57 2.07 -1.71 -0.63 116.25 119.74 1htt h VAL 63 Ca 0.03 -2.29 0.03 0.00 0.82 0.00 0.00 66.70 65.29 1htt h VAL 63 Cb 0.41 2.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.82 1htt h VAL 63 CO 0.01 0.68 -0.14 -0.08 0.02 0.00 0.00 177.57 178.06 1htt h GLU 64 N 0.06 -0.19 0.00 1.57 4.81 -0.77 -3.40 114.58 116.65 1htt h GLU 64 Ca -0.13 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1htt h GLU 64 Cb 1.61 0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.03 1htt h GLU 64 CO 0.17 -0.13 0.00 0.36 -0.73 0.00 0.00 179.01 178.69 1htt n LYS 65 N -5.27 0.14 -0.00 1.92 0.00 0.35 -4.96 118.16 110.33 1htt n LYS 65 Ca -0.04 -0.38 0.04 0.00 -0.00 0.00 0.00 58.31 57.92 1htt n LYS 65 Cb 0.19 -0.55 -0.06 0.00 -0.00 0.00 0.00 35.03 34.62 1htt n LYS 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1htt n GLU 66 N -0.03 0.39 -2.42 -1.58 1.02 -0.27 -4.81 120.64 112.94 1htt n GLU 66 Ca 0.00 -0.06 -0.36 0.00 -0.02 0.00 0.00 57.16 56.71 1htt n GLU 66 Cb 0.38 -1.16 -0.03 0.00 -0.02 0.00 0.00 31.44 30.62 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 -2.46 3.91 -0.69 3.49 -1.94 -1.03 -0.00 119.30 120.58 1htt s MET 67 Ca -0.02 1.59 -0.17 0.00 -1.71 0.00 0.00 55.69 55.38 1htt s MET 67 Cb 0.05 -2.39 0.14 0.00 2.01 0.00 0.00 34.83 34.63 1htt s MET 67 CO 0.30 -0.38 0.75 0.71 -0.01 0.00 0.00 175.02 176.39 1htt s TYR 68 N -1.67 3.22 0.12 -0.03 1.51 -1.26 -4.82 117.35 114.41 1htt s TYR 68 Ca 0.62 -1.30 0.03 0.00 -1.01 0.00 0.00 57.07 55.41 1htt s TYR 68 Cb -0.24 -3.98 -0.04 0.00 -0.11 0.00 0.00 41.96 37.59 1htt s TYR 68 CO 0.29 -1.22 0.18 0.99 -1.11 0.00 0.00 175.55 174.68 1htt s THR 69 N 1.99 4.93 0.12 -0.71 2.01 -1.26 -1.83 115.64 120.88 1htt s THR 69 Ca 0.15 -0.75 -0.25 0.00 0.31 0.00 0.00 61.69 61.16 1htt s THR 69 Cb -0.19 -3.47 0.08 0.00 0.01 0.00 0.00 72.50 68.93 1htt s THR 69 CO 0.00 0.01 0.70 0.72 -0.69 0.00 0.00 174.62 175.36 1htt s PHE 70 N -1.61 -0.45 -0.04 4.92 -0.71 -0.14 -4.99 117.98 114.95 1htt s PHE 70 Ca 0.32 0.25 -0.13 0.00 -1.04 0.00 0.00 56.93 56.34 1htt s PHE 70 Cb -0.11 0.56 -0.05 0.00 -1.21 0.00 0.00 43.02 42.21 1htt s PHE 70 CO 0.26 -0.78 0.34 -2.00 -1.34 0.00 0.00 175.22 171.70 1htt s GLU 71 N -3.56 3.85 0.48 1.99 2.12 -1.26 -1.35 118.70 120.97 1htt s GLU 71 Ca 0.03 0.27 -0.02 0.00 0.36 0.00 0.00 54.97 55.61 1htt s GLU 71 Cb -0.01 -3.24 -0.01 0.00 0.26 0.00 0.00 34.13 31.13 1htt s GLU 71 CO -0.10 0.66 0.73 0.34 -0.54 0.00 0.00 175.26 176.34 1htt s ASP 72 N -0.89 5.89 0.00 -1.70 2.15 0.13 -4.93 116.67 117.32 1htt s ASP 72 Ca 0.21 0.50 0.00 0.00 0.43 0.00 0.00 52.55 53.69 1htt s ASP 72 Cb -0.15 -1.74 0.00 0.00 -0.30 0.00 0.00 42.92 40.73 1htt s ASP 72 CO 0.10 -0.72 0.00 0.54 -0.17 0.00 0.00 175.17 174.92 1htt n ARG 73 N -2.19 0.00 -0.25 4.34 1.74 -1.26 -0.97 116.66 118.07 1htt n ARG 73 Ca 0.01 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.10 1htt n ARG 73 Cb 0.57 -1.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.03 1htt n ARG 73 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1htt n ASN 74 N -0.24 0.45 0.00 0.55 6.94 -1.26 -4.99 115.26 116.71 1htt n ASN 74 Ca 0.00 -1.81 0.00 0.00 -0.02 0.00 0.00 54.58 52.75 1htt n ASN 74 Cb 0.00 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.27 1htt n ASN 74 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1htt n GLY 75 N -0.22 2.82 3.66 4.83 0.00 -0.15 -5.02 105.19 111.10 1htt n GLY 75 Ca 0.02 -0.03 -0.47 0.00 0.00 0.00 0.00 46.02 45.54 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 0.37 2.84 -4.70 1.61 9.92 -1.26 -4.39 116.55 120.95 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 -1.39 -0.05 0.00 -0.64 0.00 0.00 41.12 39.04 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 0.82 6.85 0.00 -2.24 0.15 -1.26 0.17 113.70 118.19 1htt s SER 77 Ca 0.79 1.02 0.06 0.00 0.70 0.00 0.00 55.95 58.52 1htt s SER 77 Cb -0.72 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 61.19 1htt s SER 77 CO 0.40 -0.13 -0.18 -0.76 1.20 0.00 0.00 173.24 173.77 1htt s LEU 78 N 1.03 2.56 -0.06 3.45 1.02 -0.45 -2.27 118.68 123.95 1htt s LEU 78 Ca 0.33 -0.36 0.02 0.00 0.02 0.00 0.00 54.13 54.14 1htt s LEU 78 Cb -0.17 -1.50 0.02 0.00 0.02 0.00 0.00 46.19 44.56 1htt s LEU 78 CO 0.14 0.30 -0.09 -0.89 0.02 0.00 0.00 176.35 175.82 1htt s THR 79 N -0.81 0.93 0.26 5.49 2.01 -0.29 -0.97 115.64 122.25 1htt s THR 79 Ca 0.13 -0.35 -0.31 0.00 0.31 0.00 0.00 61.69 61.47 1htt s THR 79 Cb -0.10 -0.88 -0.12 0.00 0.01 0.00 0.00 72.50 71.40 1htt s THR 79 CO 0.03 0.31 1.62 0.18 -0.69 0.00 0.00 174.62 176.06 1htt n LEU 80 N 3.94 4.09 -4.76 4.42 4.32 -0.76 -1.99 117.00 126.26 1htt n LEU 80 Ca -0.23 1.12 -0.41 0.00 -0.02 0.00 0.00 56.01 56.47 1htt n LEU 80 Cb 0.51 -1.57 -0.03 0.00 -1.62 0.00 0.00 43.42 40.72 1htt n LEU 80 CO 0.24 0.08 0.95 0.00 -1.22 0.00 0.00 177.39 177.45 1htt s ARG 81 N 0.03 4.41 0.03 3.23 1.70 -0.28 -4.46 118.95 123.61 1htt s ARG 81 Ca 0.68 2.12 0.22 0.00 -0.47 0.00 0.00 55.73 58.28 1htt s ARG 81 Cb -0.52 -3.11 -0.12 0.00 -0.57 0.00 0.00 34.95 30.63 1htt s ARG 81 CO 0.44 -0.14 0.85 -0.35 -1.08 0.00 0.00 175.30 175.01 1htt n PRO 82 N 1.24 0.38 -3.92 3.89 -0.04 -1.26 -0.52 135.00 134.77 1htt n PRO 82 Ca 0.01 -0.05 -0.08 0.00 -0.04 0.00 0.00 63.50 63.34 1htt n PRO 82 Cb 0.42 -1.58 -0.04 0.00 -0.04 0.00 0.00 33.50 32.27 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 -3.27 1.65 -0.00 0.54 4.04 -1.26 -4.55 118.70 115.85 1htt s GLU 83 Ca 0.01 -1.10 0.10 0.00 0.04 0.00 0.00 54.97 54.01 1htt s GLU 83 Cb 0.14 0.54 -0.12 0.00 0.02 0.00 0.00 34.13 34.71 1htt s GLU 83 CO 0.84 -0.72 0.37 0.41 -1.84 0.00 0.00 175.26 174.32 1htt n GLY 84 N -0.42 -0.06 0.29 -3.83 0.00 -1.26 -4.63 105.19 95.28 1htt n GLY 84 Ca -0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 1.23 -0.19 2.61 2.02 -1.99 -1.88 112.91 114.71 1htt h THR 85 Ca 0.00 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.31 1htt h THR 85 Cb 0.29 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1htt h THR 85 CO 0.00 0.32 0.12 0.00 0.37 0.00 0.00 175.52 176.32 1htt h ALA 86 N 1.34 0.24 -0.39 6.16 0.00 -1.97 -1.38 119.26 123.26 1htt h ALA 86 Ca 0.15 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1htt h ALA 86 Cb 0.35 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1htt h ALA 86 CO 0.01 -0.26 -0.03 0.78 0.00 0.00 0.00 179.25 179.75 1htt h GLY 87 N 0.23 0.68 0.83 0.00 0.00 -1.78 -0.61 103.07 102.42 1htt h GLY 87 Ca 0.07 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 1htt h GLY 87 CO -0.01 0.41 -0.36 0.00 0.00 0.00 0.00 176.54 176.58 1htt h VAL 89 N -1.17 1.05 -0.59 0.00 2.07 -1.08 -0.95 116.25 115.58 1htt h VAL 89 Ca -0.10 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.09 1htt h VAL 89 Cb 0.78 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1htt h VAL 89 CO 0.17 0.19 0.34 -0.09 0.02 0.00 0.00 177.57 178.20 1htt h ARG 90 N 1.05 0.65 -0.13 1.57 2.43 -0.99 -0.28 114.38 118.68 1htt h ARG 90 Ca 0.40 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.42 1htt h ARG 90 Cb 0.19 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1htt h ARG 90 CO -0.18 0.43 -0.43 0.00 -1.51 0.00 0.00 179.97 178.28 1htt h ALA 91 N 1.27 1.04 0.12 2.80 0.00 -0.25 -0.45 119.26 123.79 1htt h ALA 91 Ca 0.24 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1htt h ALA 91 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1htt h ALA 91 CO -0.12 0.61 -0.06 0.78 0.00 0.00 0.00 179.25 180.47 1htt h GLY 92 N 1.22 -0.17 0.91 0.00 0.00 -0.33 -0.72 103.07 103.99 1htt h GLY 92 Ca 0.02 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1htt h GLY 92 CO 0.07 -0.06 0.11 -2.22 0.00 0.00 0.00 176.54 174.43 1htt h ILE 93 N -0.45 1.16 -0.07 2.60 2.04 -1.08 -0.25 117.51 121.45 1htt h ILE 93 Ca -0.02 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 1htt h ILE 93 Cb 0.36 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1htt h ILE 93 CO 0.03 0.16 -0.07 -0.08 0.00 0.00 0.00 178.15 178.18 1htt h GLU 94 N 0.25 0.11 -0.00 2.37 4.81 -0.98 -2.86 114.58 118.27 1htt h GLU 94 Ca 0.08 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1htt h GLU 94 Cb 0.15 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1htt h GLU 94 CO -0.01 0.19 -0.82 0.72 -0.73 0.00 0.00 179.01 178.36 1htt n HIS 95 N -4.39 0.00 -0.66 0.92 8.25 -0.29 -4.99 115.22 114.06 1htt n HIS 95 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1htt n HIS 95 Cb 0.19 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.28 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 1.48 0.62 0.22 -1.41 0.00 -0.76 -4.98 105.19 100.37 1htt n GLY 96 Ca 0.06 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.79 1htt n GLY 96 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1htt h LEU 97 N 0.00 0.00 0.00 0.99 3.38 -1.36 -3.38 115.31 114.94 1htt h LEU 97 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1htt h LEU 97 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1htt h LEU 97 CO 0.00 0.05 -1.95 0.18 0.09 0.00 0.00 178.44 176.81 1htt n LEU 98 N -3.12 0.00 -4.66 1.67 4.77 -1.24 -4.69 117.00 109.73 1htt n LEU 98 Ca 0.03 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.59 1htt n LEU 98 Cb 0.51 0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.72 1htt n LEU 98 CO 0.33 0.15 1.25 -0.47 -1.33 0.00 0.00 177.39 177.32 1htt s TYR 99 N -2.96 2.35 -1.45 -1.77 5.04 -1.26 -2.59 117.35 114.71 1htt s TYR 99 Ca -0.07 0.54 -0.09 0.00 -2.44 0.00 0.00 57.07 55.01 1htt s TYR 99 Cb 0.09 -3.74 0.05 0.00 0.35 0.00 0.00 41.96 38.71 1htt s TYR 99 CO 0.74 -2.93 0.74 0.09 -1.34 0.00 0.00 175.55 172.85 1htt n ASN 100 N 6.88 -5.09 -4.26 4.32 5.03 -1.26 -4.98 115.26 115.91 1htt n ASN 100 Ca 0.16 -0.48 -0.14 0.00 0.87 0.00 0.00 54.58 54.98 1htt n ASN 100 Cb 0.44 -4.10 -0.10 0.00 -1.02 0.00 0.00 39.78 34.99 1htt n ASN 100 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1htt s GLN 101 N -6.12 1.18 -0.08 3.52 -0.21 -1.07 -5.15 119.66 111.73 1htt s GLN 101 Ca 0.47 -1.59 0.04 0.00 0.02 0.00 0.00 55.36 54.30 1htt s GLN 101 Cb -0.23 -0.24 0.00 0.00 1.00 0.00 0.00 33.01 33.54 1htt s GLN 101 CO 0.58 -0.18 -0.22 -2.00 -2.12 0.00 0.00 175.29 171.35 1htt s GLU 102 N -3.95 2.64 -0.00 2.91 2.12 -1.26 -4.19 118.70 116.96 1htt s GLU 102 Ca 0.28 -0.78 0.02 0.00 0.36 0.00 0.00 54.97 54.84 1htt s GLU 102 Cb 0.07 -2.07 -0.01 0.00 0.26 0.00 0.00 34.13 32.38 1htt s GLU 102 CO 0.06 0.19 -0.07 -0.65 -0.54 0.00 0.00 175.26 174.26 1htt s GLN 103 N 0.29 0.56 -0.26 4.30 -1.52 -0.77 -4.97 119.66 117.29 1htt s GLN 103 Ca -0.14 -0.29 -0.01 0.00 -1.95 0.00 0.00 55.36 52.96 1htt s GLN 103 Cb -0.16 -0.53 0.08 0.00 -0.22 0.00 0.00 33.01 32.18 1htt s GLN 103 CO 0.07 0.14 0.05 1.03 -0.25 0.00 0.00 175.29 176.33 1htt s ARG 104 N -0.29 0.89 0.28 2.91 0.52 -1.26 -1.31 118.95 120.69 1htt s ARG 104 Ca 0.02 -0.89 0.12 0.00 -0.52 0.00 0.00 55.73 54.45 1htt s ARG 104 Cb -0.03 -2.18 -0.05 0.00 0.52 0.00 0.00 34.95 33.20 1htt s ARG 104 CO -0.00 -0.81 -0.20 -0.51 0.02 0.00 0.00 175.30 173.80 1htt s LEU 105 N 1.62 2.60 0.09 2.53 1.43 0.31 -1.19 118.68 126.06 1htt s LEU 105 Ca 0.04 -1.01 -0.04 0.00 -1.03 0.00 0.00 54.13 52.08 1htt s LEU 105 Cb -0.18 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 1htt s LEU 105 CO -0.16 0.04 0.09 -1.66 0.23 0.00 0.00 176.35 174.89 1htt s TRP 106 N -2.47 0.45 0.02 0.29 1.48 -0.20 -1.57 118.94 116.94 1htt s TRP 106 Ca 0.30 -0.91 -0.11 0.00 -1.06 0.00 0.00 56.10 54.32 1htt s TRP 106 Cb -0.05 -0.26 0.01 0.00 -1.16 0.00 0.00 33.47 32.00 1htt s TRP 106 CO 0.15 -0.49 0.23 1.52 -4.06 0.00 0.00 176.95 174.29 1htt s TYR 107 N -3.93 -0.03 -0.02 1.66 -0.85 -0.54 -1.00 117.35 112.64 1htt s TYR 107 Ca 0.10 -0.07 0.01 0.00 -0.52 0.00 0.00 57.07 56.59 1htt s TYR 107 Cb 0.06 0.01 0.02 0.00 0.38 0.00 0.00 41.96 42.43 1htt s TYR 107 CO -0.07 -0.40 -0.01 -1.50 -1.52 0.00 0.00 175.55 172.05 1htt s ILE 108 N -1.97 0.16 -2.51 -3.49 2.07 -1.26 -1.71 121.20 112.49 1htt s ILE 108 Ca -0.09 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.16 1htt s ILE 108 Cb -0.04 -0.21 0.00 0.00 0.13 0.00 0.00 42.46 42.34 1htt s ILE 108 CO -0.00 0.10 0.00 0.61 -1.91 0.00 0.00 174.94 173.74 1htt n GLY 109 N 3.67 -1.56 3.81 1.50 0.00 -0.51 -5.00 105.19 107.09 1htt n GLY 109 Ca -0.21 -1.07 -0.37 0.00 0.00 0.00 0.00 46.02 44.37 1htt n GLY 109 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1htt s PRO 110 N -1.35 4.32 0.26 1.61 0.02 -1.26 -0.76 135.00 137.84 1htt s PRO 110 Ca 0.00 0.93 0.12 0.00 0.02 0.00 0.00 61.00 62.06 1htt s PRO 110 Cb 0.00 -2.98 -0.05 0.00 0.02 0.00 0.00 34.50 31.49 1htt s PRO 110 CO 0.00 0.44 -0.20 -1.64 -0.33 0.00 0.00 177.00 175.27 1htt s MET 111 N -1.75 1.62 -0.07 5.54 -1.94 0.16 -4.89 119.30 117.97 1htt s MET 111 Ca 0.41 -1.71 0.02 0.00 -1.71 0.00 0.00 55.69 52.70 1htt s MET 111 Cb -0.18 -1.74 0.02 0.00 2.01 0.00 0.00 34.83 34.93 1htt s MET 111 CO 0.22 0.33 -0.11 -0.06 -0.01 0.00 0.00 175.02 175.39 1htt s PHE 112 N -2.37 1.45 -0.04 -0.03 0.40 0.32 -1.51 117.98 116.20 1htt s PHE 112 Ca 0.28 -0.57 -0.01 0.00 -0.60 0.00 0.00 56.93 56.02 1htt s PHE 112 Cb -0.05 -1.09 0.03 0.00 0.51 0.00 0.00 43.02 42.42 1htt s PHE 112 CO 0.13 -0.32 0.07 1.03 0.70 0.00 0.00 175.22 176.83 1htt s ARG 113 N 0.86 -0.02 -0.93 0.44 0.52 0.45 -4.00 118.95 116.27 1htt s ARG 113 Ca -0.11 0.29 -0.24 0.00 -0.52 0.00 0.00 55.73 55.15 1htt s ARG 113 Cb -0.15 -0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.03 1htt s ARG 113 CO 0.01 -0.21 1.69 -1.58 0.02 0.00 0.00 175.30 175.23 1htt s HIS 114 N 1.40 2.14 0.25 -0.53 5.65 1.00 -4.20 115.29 121.00 1htt s HIS 114 Ca -0.05 -0.05 -0.06 0.00 0.25 0.00 0.00 55.06 55.15 1htt s HIS 114 Cb -0.12 -4.37 -0.02 0.00 -1.18 0.00 0.00 32.58 26.89 1htt s HIS 114 CO -0.04 -1.88 0.34 -1.83 -0.65 0.00 0.00 174.74 170.69 1htt s GLU 115 N 6.05 1.49 -0.16 2.88 -1.05 -1.26 -4.55 118.70 122.10 1htt s GLU 115 Ca 0.58 -1.51 -0.29 0.00 -0.15 0.00 0.00 54.97 53.59 1htt s GLU 115 Cb -0.04 0.39 -0.01 0.00 -0.44 0.00 0.00 34.13 34.03 1htt s GLU 115 CO -0.03 -0.58 1.16 0.50 0.95 0.00 0.00 175.26 177.26 1htt s ARG 116 N -3.87 4.28 0.08 -4.83 3.00 -1.26 -4.75 118.95 111.60 1htt s ARG 116 Ca 0.31 1.54 -0.37 0.00 -1.00 0.00 0.00 55.73 56.21 1htt s ARG 116 Cb 0.02 -3.67 -0.17 0.00 0.00 0.00 0.00 34.95 31.13 1htt s ARG 116 CO 0.13 -0.60 1.31 -2.30 0.00 0.00 0.00 175.30 173.84 1htt n PRO 117 N 6.13 1.06 -0.95 5.12 -0.02 -1.26 -4.84 135.00 140.23 1htt n PRO 117 Ca 0.12 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1htt n PRO 117 Cb 0.46 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1htt n PRO 117 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1htt n GLN 118 N 2.40 0.00 0.10 -0.52 1.13 -0.42 -4.98 117.38 115.09 1htt n GLN 118 Ca 0.18 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 55.08 1htt n GLN 118 Cb 0.19 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.39 1htt n GLN 118 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1htt h LYS 119 N 0.00 0.27 0.00 -1.09 3.64 -2.04 -3.30 116.57 114.05 1htt h LYS 119 Ca 0.00 -0.47 -0.05 0.00 -1.27 0.00 0.00 60.65 58.86 1htt h LYS 119 Cb 0.00 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1htt h LYS 119 CO 0.00 1.20 -0.97 0.78 -2.27 0.00 0.00 179.45 178.19 1htt h GLY 120 N 1.57 0.00 -5.81 5.01 0.00 -1.97 -3.45 103.07 98.43 1htt h GLY 120 Ca -0.16 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.53 1htt h GLY 120 CO 0.20 0.00 -0.66 0.50 0.00 0.00 0.00 176.54 176.57 1htt s ARG 121 N -3.20 3.62 0.35 4.80 0.52 -1.24 -4.64 118.95 119.15 1htt s ARG 121 Ca -0.00 -0.51 0.03 0.00 -0.52 0.00 0.00 55.73 54.73 1htt s ARG 121 Cb 0.09 -2.90 -0.04 0.00 0.52 0.00 0.00 34.95 32.61 1htt s ARG 121 CO 0.78 0.28 0.12 0.71 0.02 0.00 0.00 175.30 177.21 1htt s TYR 122 N 0.26 1.76 -0.13 -0.53 2.02 -1.26 -1.30 117.35 118.16 1htt s TYR 122 Ca -0.03 -1.23 0.14 0.00 -0.37 0.00 0.00 57.07 55.59 1htt s TYR 122 Cb -0.14 -1.08 -0.24 0.00 -0.40 0.00 0.00 41.96 40.10 1htt s TYR 122 CO 0.03 -0.29 0.33 0.54 -1.57 0.00 0.00 175.55 174.59 1htt n ARG 123 N -0.74 0.66 -3.93 -0.62 1.74 0.92 -4.62 116.66 110.08 1htt n ARG 123 Ca -0.03 0.14 -0.35 0.00 -0.77 0.00 0.00 57.85 56.85 1htt n ARG 123 Cb 0.65 -1.65 -0.14 0.00 -1.02 0.00 0.00 32.46 30.31 1htt n ARG 123 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1htt s GLN 124 N -2.54 2.70 0.38 5.56 0.74 -1.13 -0.41 119.66 124.95 1htt s GLN 124 Ca -0.09 -1.08 0.04 0.00 0.05 0.00 0.00 55.36 54.28 1htt s GLN 124 Cb 0.07 -3.08 -0.05 0.00 1.10 0.00 0.00 33.01 31.05 1htt s GLN 124 CO 0.82 -0.48 0.07 -0.59 -0.55 0.00 0.00 175.29 174.56 1htt s PHE 125 N 1.31 1.93 -0.03 1.67 -0.71 -0.57 -4.65 117.98 116.93 1htt s PHE 125 Ca -0.02 -1.04 0.04 0.00 -1.04 0.00 0.00 56.93 54.87 1htt s PHE 125 Cb -0.18 -1.31 -0.01 0.00 -1.21 0.00 0.00 43.02 40.31 1htt s PHE 125 CO -0.03 -0.04 -0.15 -1.01 -1.34 0.00 0.00 175.22 172.65 1htt s HIS 126 N -3.18 1.47 0.15 3.49 3.76 -1.26 -0.66 115.29 119.05 1htt s HIS 126 Ca 0.29 -0.35 0.09 0.00 -0.15 0.00 0.00 55.06 54.94 1htt s HIS 126 Cb 0.06 -0.98 -0.04 0.00 1.11 0.00 0.00 32.58 32.73 1htt s HIS 126 CO 0.14 -0.09 -0.20 -0.65 -0.85 0.00 0.00 174.74 173.08 1htt s GLN 127 N -0.12 1.26 -0.13 1.40 -0.21 0.06 -2.03 119.66 119.88 1htt s GLN 127 Ca 0.01 -1.34 0.02 0.00 0.02 0.00 0.00 55.36 54.08 1htt s GLN 127 Cb -0.09 -1.45 0.00 0.00 1.00 0.00 0.00 33.01 32.48 1htt s GLN 127 CO 0.01 0.31 -0.21 -1.17 -2.12 0.00 0.00 175.29 172.11 1htt s LEU 128 N -2.37 2.22 0.11 2.90 1.98 -0.96 -1.43 118.68 121.13 1htt s LEU 128 Ca 0.13 -0.54 -0.04 0.00 -2.89 0.00 0.00 54.13 50.79 1htt s LEU 128 Cb -0.08 -1.47 -0.03 0.00 0.66 0.00 0.00 46.19 45.28 1htt s LEU 128 CO 0.06 0.12 0.10 -0.83 -1.89 0.00 0.00 176.35 173.91 1htt s GLY 129 N 0.61 0.65 0.03 7.98 0.00 -0.69 -0.59 107.32 115.31 1htt s GLY 129 Ca -0.11 -1.18 0.07 0.00 0.00 0.00 0.00 44.72 43.49 1htt s GLY 129 CO 0.03 -1.17 -0.20 0.00 0.00 0.00 0.00 173.10 171.76 1htt s GLU 131 N -0.97 0.71 -0.12 0.00 0.41 -0.61 -1.12 118.70 117.00 1htt s GLU 131 Ca 0.07 0.04 0.02 0.00 -0.41 0.00 0.00 54.97 54.69 1htt s GLU 131 Cb -0.08 -0.98 -0.00 0.00 -1.78 0.00 0.00 34.13 31.29 1htt s GLU 131 CO 0.01 -0.25 -0.19 0.08 -0.49 0.00 0.00 175.26 174.41 1htt s VAL 132 N 1.72 2.44 -0.06 2.63 1.01 -0.41 -0.53 120.40 127.20 1htt s VAL 132 Ca 0.01 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.17 1htt s VAL 132 Cb -0.13 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 1htt s VAL 132 CO -0.04 0.54 -0.20 -0.36 0.00 0.00 0.00 175.10 175.04 1htt s PHE 133 N 0.45 2.03 0.00 5.22 0.08 -0.43 -1.97 117.98 123.37 1htt s PHE 133 Ca -0.14 -0.64 0.00 0.00 0.12 0.00 0.00 56.93 56.27 1htt s PHE 133 Cb -0.17 -1.36 0.00 0.00 -0.57 0.00 0.00 43.02 40.92 1htt s PHE 133 CO 0.06 -0.23 0.00 0.41 -0.10 0.00 0.00 175.22 175.36 1htt n GLY 134 N 3.19 0.99 3.48 4.36 0.00 -0.22 -1.84 105.19 115.16 1htt n GLY 134 Ca -0.18 0.00 -0.32 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 2.72 -0.04 0.99 1.43 -1.26 -4.78 118.68 117.74 1htt s LEU 135 Ca 0.00 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 52.73 1htt s LEU 135 Cb 0.00 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 1htt s LEU 135 CO 0.00 0.29 -0.14 1.67 0.23 0.00 0.00 176.35 178.40 1htt n GLN 136 N 1.85 0.22 -0.32 1.70 7.27 -1.26 -4.23 117.38 122.60 1htt n GLN 136 Ca -0.16 0.09 -0.29 0.00 0.07 0.00 0.00 57.00 56.71 1htt n GLN 136 Cb 0.52 -0.88 0.27 0.00 2.41 0.00 0.00 30.24 32.56 1htt n GLN 136 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1htt n GLY 137 N 2.58 -3.36 0.16 1.69 0.00 -1.26 -4.91 105.19 100.09 1htt n GLY 137 Ca -0.10 -1.50 0.13 0.00 0.00 0.00 0.00 46.02 44.56 1htt n GLY 137 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1htt h PRO 138 N -3.33 0.00 -0.69 1.61 0.13 -1.95 -3.33 132.00 124.43 1htt h PRO 138 Ca -0.45 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 1htt h PRO 138 Cb 1.29 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 1htt h PRO 138 CO 0.30 0.00 0.30 0.38 -0.23 0.00 0.00 178.00 178.75 1htt h ASP 139 N 0.00 0.91 0.82 1.44 2.03 -1.94 0.20 116.42 119.89 1htt h ASP 139 Ca 0.00 -0.12 -0.11 0.00 -0.73 0.00 0.00 57.03 56.07 1htt h ASP 139 Cb 0.47 -0.23 -0.02 0.00 -0.83 0.00 0.00 39.33 38.72 1htt h ASP 139 CO 0.00 0.80 -0.53 -0.29 -1.03 0.00 0.00 179.24 178.18 1htt h ILE 140 N 0.99 1.17 -0.38 4.15 6.09 -1.94 -0.43 117.51 127.15 1htt h ILE 140 Ca 0.23 -1.98 -0.12 0.00 -1.37 0.00 0.00 64.86 61.63 1htt h ILE 140 Cb 0.15 2.13 -0.01 0.00 0.47 0.00 0.00 36.82 39.56 1htt h ILE 140 CO -0.02 0.52 -0.26 0.44 -3.07 0.00 0.00 178.15 175.75 1htt h ASP 141 N 0.00 0.81 0.18 2.19 5.19 -1.44 -1.17 116.42 122.18 1htt h ASP 141 Ca -0.01 -0.31 -0.12 0.00 -0.62 0.00 0.00 57.03 55.98 1htt h ASP 141 Cb 1.09 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.37 1htt h ASP 141 CO 0.07 1.03 -0.44 0.00 -3.12 0.00 0.00 179.24 176.78 1htt h ALA 142 N 1.03 1.00 -0.56 3.45 0.00 -0.74 -1.97 119.26 121.47 1htt h ALA 142 Ca 0.08 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1htt h ALA 142 Cb 0.79 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1htt h ALA 142 CO 0.07 0.62 0.31 1.49 0.00 0.00 0.00 179.25 181.75 1htt h GLU 143 N 0.27 0.77 -0.42 0.00 4.81 0.05 -0.69 114.58 119.37 1htt h GLU 143 Ca 0.02 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 1htt h GLU 143 Cb 0.88 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1htt h GLU 143 CO 0.07 0.58 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.78 1htt h LEU 144 N 0.75 0.71 -0.78 1.64 3.38 -1.07 0.20 115.31 120.14 1htt h LEU 144 Ca 0.20 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1htt h LEU 144 Cb 0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1htt h LEU 144 CO -0.03 0.83 -0.58 0.40 0.09 0.00 0.00 178.44 179.15 1htt h ILE 145 N 0.67 1.40 -0.65 1.22 2.04 -1.14 -2.16 117.51 118.88 1htt h ILE 145 Ca 0.12 -1.95 -0.05 0.00 1.00 0.00 0.00 64.86 63.98 1htt h ILE 145 Cb 0.54 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 1htt h ILE 145 CO 0.03 0.57 0.21 0.24 0.00 0.00 0.00 178.15 179.20 1htt h MET 146 N 0.08 0.99 -0.32 2.37 2.86 -0.62 -2.25 114.93 118.04 1htt h MET 146 Ca -0.00 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 1htt h MET 146 Cb 1.04 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 1htt h MET 146 CO 0.08 0.84 0.15 1.25 1.06 0.00 0.00 176.91 180.29 1htt h LEU 147 N 0.96 0.42 -0.65 1.22 6.46 -0.67 -1.74 115.31 121.31 1htt h LEU 147 Ca 0.22 -0.13 -0.13 0.00 -0.12 0.00 0.00 57.88 57.72 1htt h LEU 147 Cb 0.26 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 1htt h LEU 147 CO -0.01 0.43 -0.30 0.71 -0.62 0.00 0.00 178.44 178.66 1htt h THR 148 N 0.37 1.28 -0.78 1.05 1.35 -1.26 -2.67 112.91 112.26 1htt h THR 148 Ca 0.11 -1.43 0.02 0.00 -0.55 0.00 0.00 66.41 64.56 1htt h THR 148 Cb 0.13 1.33 -0.04 0.00 -1.73 0.00 0.00 68.15 67.84 1htt h THR 148 CO -0.01 0.47 0.52 0.00 -0.25 0.00 0.00 175.52 176.24 1htt h ALA 149 N 1.04 1.49 -0.49 6.62 0.00 -1.20 -1.49 119.26 125.23 1htt h ALA 149 Ca 0.07 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1htt h ALA 149 Cb 0.82 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1htt h ALA 149 CO 0.07 0.46 -0.02 -0.09 0.00 0.00 0.00 179.25 179.67 1htt h ARG 150 N 1.01 0.88 -0.67 0.00 2.43 -1.08 -2.28 114.38 114.67 1htt h ARG 150 Ca 0.30 -0.29 0.10 0.00 -0.81 0.00 0.00 59.98 59.28 1htt h ARG 150 Cb -0.04 -0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 29.35 1htt h ARG 150 CO -0.08 0.92 0.28 -1.49 -1.51 0.00 0.00 179.97 178.10 1htt h TRP 151 N 0.74 0.49 -0.32 2.20 6.55 -0.96 -0.20 115.95 124.45 1htt h TRP 151 Ca 0.14 0.03 -0.10 0.00 0.95 0.00 0.00 58.89 59.91 1htt h TRP 151 Cb 0.54 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 28.71 1htt h TRP 151 CO 0.04 0.13 -0.21 -1.49 -1.05 0.00 0.00 178.44 175.86 1htt h TRP 152 N 0.47 0.68 -0.33 0.49 -0.00 -0.87 0.22 115.95 116.60 1htt h TRP 152 Ca 0.34 -0.14 -0.03 0.00 -0.00 0.00 0.00 58.89 59.07 1htt h TRP 152 Cb 0.43 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.16 29.41 1htt h TRP 152 CO -0.15 0.77 0.10 0.00 -0.00 0.00 0.00 178.44 179.16 1htt h ARG 153 N 0.54 0.51 -0.46 0.49 3.08 -0.99 0.76 114.38 118.31 1htt h ARG 153 Ca 0.08 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 1htt h ARG 153 Cb 0.66 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1htt h ARG 153 CO 0.05 0.55 0.08 0.00 -1.07 0.00 0.00 179.97 179.58 1htt h ALA 154 N 0.94 1.28 -0.01 0.04 0.00 0.04 -1.97 119.26 119.59 1htt h ALA 154 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1htt h ALA 154 Cb 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1htt h ALA 154 CO -0.00 0.50 -0.18 1.28 0.00 0.00 0.00 179.25 180.84 1htt n LEU 155 N -4.28 1.25 -0.94 0.00 7.99 0.66 -4.96 117.00 116.73 1htt n LEU 155 Ca 0.03 -0.37 -0.08 0.00 -0.01 0.00 0.00 56.01 55.58 1htt n LEU 155 Cb 0.23 -0.08 -0.01 0.00 -0.11 0.00 0.00 43.42 43.45 1htt n LEU 155 CO 0.39 0.22 -0.11 0.61 -1.51 0.00 0.00 177.39 177.00 1htt n GLY 156 N 1.30 0.10 0.33 -0.72 0.00 -0.06 -4.92 105.19 101.22 1htt n GLY 156 Ca 0.14 -0.54 0.03 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.91 0.58 -0.31 -0.61 -5.35 0.06 -4.77 119.36 105.05 1htt n ILE 157 Ca -0.10 -0.79 0.08 0.00 -0.27 0.00 0.00 62.75 61.67 1htt n ILE 157 Cb 0.55 0.77 0.19 0.00 -1.74 0.00 0.00 39.64 39.41 1htt n ILE 157 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1htt h SER 158 N 1.22 -0.58 -0.03 7.28 4.64 -1.82 -1.16 113.55 123.10 1htt h SER 158 Ca 0.00 0.26 -0.04 0.00 -0.47 0.00 0.00 61.79 61.54 1htt h SER 158 Cb 0.48 0.48 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1htt h SER 158 CO 0.00 -0.29 -0.02 -0.62 -0.87 0.00 0.00 176.83 175.04 1htt n GLU 159 N -5.49 1.14 -0.30 4.77 -0.58 -1.26 -3.44 120.64 115.49 1htt n GLU 159 Ca 0.17 -0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1htt n GLU 159 Cb 0.58 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 30.31 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 1.54 0.00 -3.78 -0.32 8.25 -0.44 -5.09 115.22 115.38 1htt n HIS 160 Ca 0.06 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.39 1htt n HIS 160 Cb 0.54 0.17 -0.13 0.00 1.12 0.00 0.00 29.99 31.69 1htt n HIS 160 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1htt s VAL 161 N 0.00 -0.02 0.11 1.59 0.11 -1.22 -4.30 120.40 116.66 1htt s VAL 161 Ca 0.00 0.09 0.09 0.00 -2.93 0.00 0.00 61.98 59.23 1htt s VAL 161 Cb 0.00 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 1htt s VAL 161 CO 0.00 0.04 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.74 1htt s THR 162 N 0.68 2.85 -0.21 5.04 2.01 0.05 -4.92 115.64 121.14 1htt s THR 162 Ca -0.05 -1.47 -0.04 0.00 0.31 0.00 0.00 61.69 60.44 1htt s THR 162 Cb -0.06 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 1htt s THR 162 CO -0.04 0.12 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.78 1htt s LEU 163 N -2.08 3.08 -0.09 4.42 2.96 -1.26 -1.26 118.68 124.45 1htt s LEU 163 Ca 0.18 -0.30 -0.02 0.00 -0.22 0.00 0.00 54.13 53.77 1htt s LEU 163 Cb -0.11 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 1htt s LEU 163 CO 0.10 0.02 -0.00 -1.61 -1.32 0.00 0.00 176.35 173.53 1htt s GLU 164 N 1.25 3.06 0.03 1.98 2.02 -0.41 -0.34 118.70 126.30 1htt s GLU 164 Ca 0.03 -0.42 -0.00 0.00 0.02 0.00 0.00 54.97 54.60 1htt s GLU 164 Cb -0.14 -2.81 -0.03 0.00 0.10 0.00 0.00 34.13 31.25 1htt s GLU 164 CO -0.00 0.65 -0.03 -1.17 0.02 0.00 0.00 175.26 174.73 1htt s LEU 165 N -0.74 2.36 -0.14 1.80 2.96 0.74 -1.93 118.68 123.72 1htt s LEU 165 Ca 0.12 -0.73 -0.32 0.00 -0.22 0.00 0.00 54.13 52.97 1htt s LEU 165 Cb -0.12 0.14 0.13 0.00 0.50 0.00 0.00 46.19 46.85 1htt s LEU 165 CO 0.02 -0.44 1.10 0.21 -1.32 0.00 0.00 176.35 175.92 1htt s ASN 166 N -2.14 -0.23 -0.11 3.68 2.47 -0.33 -1.16 114.94 117.12 1htt s ASN 166 Ca -0.05 0.08 -0.03 0.00 0.42 0.00 0.00 52.86 53.28 1htt s ASN 166 Cb -0.02 0.23 -0.03 0.00 -1.45 0.00 0.00 41.25 39.98 1htt s ASN 166 CO -0.05 -0.34 -0.01 -0.55 -3.72 0.00 0.00 177.10 172.43 1htt s SER 167 N -1.94 5.09 -0.14 -4.21 0.15 -1.26 -0.93 113.70 110.47 1htt s SER 167 Ca 0.06 0.04 0.15 0.00 0.70 0.00 0.00 55.95 56.91 1htt s SER 167 Cb -0.01 -1.58 0.53 0.00 -1.71 0.00 0.00 66.02 63.25 1htt s SER 167 CO -0.05 0.30 1.44 2.30 1.20 0.00 0.00 173.24 178.42 1htt n ILE 168 N 2.69 2.03 -4.78 6.45 -5.35 -0.57 -4.99 119.36 114.85 1htt n ILE 168 Ca -0.18 -1.60 0.00 0.00 -0.27 0.00 0.00 62.75 60.70 1htt n ILE 168 Cb 0.53 -0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 1htt n ILE 168 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1htt n GLY 169 N -0.07 1.77 2.37 3.28 0.00 -1.15 -4.63 105.19 106.76 1htt n GLY 169 Ca 0.20 -0.58 -0.19 0.00 0.00 0.00 0.00 46.02 45.46 1htt n GLY 169 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1htt n SER 170 N 0.21 2.49 0.08 1.61 3.41 -1.26 -3.60 113.62 116.56 1htt n SER 170 Ca 0.00 -2.31 -0.12 0.00 -0.26 0.00 0.00 58.87 56.18 1htt n SER 170 Cb 0.00 0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 1htt n SER 170 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1htt h LEU 171 N 0.00 -0.28 -0.41 1.04 -0.00 -1.96 -2.08 115.31 111.62 1htt h LEU 171 Ca -0.24 0.03 0.08 0.00 -0.00 0.00 0.00 57.88 57.75 1htt h LEU 171 Cb 0.81 0.11 -0.08 0.00 -0.00 0.00 0.00 40.66 41.50 1htt h LEU 171 CO 0.40 -0.16 -0.11 -0.33 -0.00 0.00 0.00 178.44 178.24 1htt h GLU 172 N -0.21 -0.01 -0.40 1.13 3.07 -1.97 0.37 114.58 116.55 1htt h GLU 172 Ca 0.02 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.79 1htt h GLU 172 Cb 0.22 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 1htt h GLU 172 CO -0.05 -0.01 -0.11 0.00 -1.40 0.00 0.00 179.01 177.44 1htt h ALA 173 N 1.39 1.06 -0.10 3.43 0.00 -1.85 -1.03 119.26 122.16 1htt h ALA 173 Ca 0.20 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1htt h ALA 173 Cb 0.31 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1htt h ALA 173 CO -0.43 0.58 -0.03 0.00 0.00 0.00 0.00 179.25 179.37 1htt h ARG 174 N 0.65 0.20 -0.00 0.00 3.08 -0.43 -0.64 114.38 117.24 1htt h ARG 174 Ca 0.11 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1htt h ARG 174 Cb 0.56 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 1htt h ARG 174 CO 0.03 0.52 0.00 0.00 -1.07 0.00 0.00 179.97 179.45 1htt h ALA 175 N 0.67 1.59 -0.01 0.04 0.00 -0.13 -0.59 119.26 120.83 1htt h ALA 175 Ca 0.02 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.67 1htt h ALA 175 Cb 0.45 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.26 1htt h ALA 175 CO 0.01 -0.00 -1.02 -0.91 0.00 0.00 0.00 179.25 177.33 1htt h ASN 176 N 0.00 0.87 0.00 0.00 2.35 -0.86 -3.50 115.58 114.43 1htt h ASN 176 Ca 0.00 -0.69 0.00 0.00 -0.55 0.00 0.00 56.30 55.06 1htt h ASN 176 Cb 0.00 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.11 1htt h ASN 176 CO -0.00 1.49 0.00 0.00 -1.65 0.00 0.00 177.43 177.27 1htt n TYR 177 N -3.84 0.00 -0.08 1.19 9.36 -0.23 -5.11 117.16 118.45 1htt n TYR 177 Ca -0.10 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 60.97 1htt n TYR 177 Cb 0.87 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.53 1htt n TYR 177 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1htt n LEU 229 N 0.00 1.58 -3.59 2.98 7.94 -1.26 -5.06 117.00 119.59 1htt n LEU 229 Ca 0.00 0.26 -0.14 0.00 -1.11 0.00 0.00 56.01 55.03 1htt n LEU 229 Cb 0.00 -0.62 -0.06 0.00 0.53 0.00 0.00 43.42 43.27 1htt n LEU 229 CO 0.00 0.04 0.55 1.51 -1.11 0.00 0.00 177.39 178.37 1htt s ASP 230 N -6.42 -0.60 0.29 1.96 1.47 -1.26 -4.79 116.67 107.32 1htt s ASP 230 Ca -0.25 0.94 0.04 0.00 1.18 0.00 0.00 52.55 54.46 1htt s ASP 230 Cb 0.07 0.88 0.68 0.00 -0.34 0.00 0.00 42.92 44.21 1htt s ASP 230 CO 0.34 -0.36 1.77 -0.33 0.68 0.00 0.00 175.17 177.27 1htt h GLU 231 N 3.83 0.68 -0.47 2.11 4.39 -2.05 0.13 114.58 123.19 1htt h GLU 231 Ca -0.26 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.35 1htt h GLU 231 Cb 1.16 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.63 1htt h GLU 231 CO 0.21 0.45 0.09 0.93 -1.16 0.00 0.00 179.01 179.53 1htt h GLU 232 N 0.70 0.72 0.00 2.33 5.08 -1.99 0.38 114.58 121.79 1htt h GLU 232 Ca 0.55 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.71 1htt h GLU 232 Cb 0.85 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1htt h GLU 232 CO -0.39 0.67 -0.24 0.77 -1.00 0.00 0.00 179.01 178.82 1htt h SER 233 N 0.69 0.00 -0.08 1.42 0.02 -1.26 -1.52 113.55 112.82 1htt h SER 233 Ca 0.15 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.96 1htt h SER 233 Cb 0.29 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.84 1htt h SER 233 CO 0.00 0.24 -0.53 -0.09 -1.14 0.00 0.00 176.83 175.32 1htt h ARG 234 N 0.00 0.49 0.38 3.45 9.65 -0.17 -1.44 114.38 126.74 1htt h ARG 234 Ca -0.00 -0.43 -0.02 0.00 -1.10 0.00 0.00 59.98 58.43 1htt h ARG 234 Cb 1.16 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 1htt h ARG 234 CO 0.03 1.06 -0.18 0.93 2.80 0.00 0.00 179.97 184.61 1htt h GLU 235 N 0.06 -0.50 -0.62 0.20 3.07 -0.97 -0.90 114.58 114.94 1htt h GLU 235 Ca -0.04 0.03 0.08 0.00 -0.50 0.00 0.00 59.36 58.93 1htt h GLU 235 Cb 1.19 0.11 -0.07 0.00 -0.84 0.00 0.00 28.75 29.14 1htt h GLU 235 CO 0.11 -0.33 0.27 1.25 -1.40 0.00 0.00 179.01 178.91 1htt h HIS 236 N -0.51 0.48 -0.43 4.33 2.76 -1.34 -0.32 115.15 120.12 1htt h HIS 236 Ca -0.05 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.08 1htt h HIS 236 Cb 0.40 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 1htt h HIS 236 CO -0.05 0.17 0.00 0.35 -1.30 0.00 0.00 177.93 177.10 1htt h PHE 237 N 0.49 0.83 -0.16 5.26 3.57 -1.19 -1.59 116.94 124.14 1htt h PHE 237 Ca 0.30 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 1htt h PHE 237 Cb 0.32 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1htt h PHE 237 CO -0.14 0.82 0.09 0.00 -2.23 0.00 0.00 178.31 176.86 1htt h ALA 238 N 0.90 0.20 -0.63 2.41 0.00 -0.60 0.15 119.26 121.68 1htt h ALA 238 Ca 0.12 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.09 1htt h ALA 238 Cb 0.49 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1htt h ALA 238 CO 0.02 -0.29 0.27 0.78 0.00 0.00 0.00 179.25 180.03 1htt h GLY 239 N 0.18 0.91 1.00 0.00 0.00 -1.00 0.76 103.07 104.92 1htt h GLY 239 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1htt h GLY 239 CO -0.01 0.02 0.07 -2.00 0.00 0.00 0.00 176.54 174.62 1htt h LEU 240 N 0.48 0.13 -1.69 3.11 5.85 -0.31 -1.38 115.31 121.51 1htt h LEU 240 Ca 0.31 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 1htt h LEU 240 Cb 0.35 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1htt h LEU 240 CO -0.28 0.10 0.01 0.00 -0.34 0.00 0.00 178.44 177.93 1htt h LYS 242 N 0.20 0.46 -1.00 0.00 3.64 -0.26 -2.36 116.57 117.25 1htt h LYS 242 Ca 0.05 -0.13 0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1htt h LYS 242 Cb 0.13 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.85 1htt h LYS 242 CO 0.00 0.60 0.65 -0.07 -2.27 0.00 0.00 179.45 178.36 1htt h LEU 243 N 0.26 1.09 -0.23 5.20 -0.00 -0.79 -2.07 115.31 118.77 1htt h LEU 243 Ca 0.08 -0.01 -0.20 0.00 -0.00 0.00 0.00 57.88 57.75 1htt h LEU 243 Cb 0.37 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1htt h LEU 243 CO 0.01 0.75 -0.64 -0.07 -0.00 0.00 0.00 178.44 178.48 1htt h LEU 244 N 1.26 0.96 -0.28 1.67 4.07 -1.38 -2.88 115.31 118.73 1htt h LEU 244 Ca 0.40 -0.57 -0.01 0.00 0.08 0.00 0.00 57.88 57.77 1htt h LEU 244 Cb -0.00 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.45 1htt h LEU 244 CO -0.12 1.37 0.14 -0.08 -1.08 0.00 0.00 178.44 178.66 1htt h GLU 245 N 0.61 0.41 0.00 1.13 4.81 -1.30 -0.35 114.58 119.88 1htt h GLU 245 Ca -0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1htt h GLU 245 Cb 1.26 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1htt h GLU 245 CO 0.14 0.38 0.00 0.43 -0.73 0.00 0.00 179.01 179.23 1htt n SER 246 N -4.80 0.00 -0.02 1.04 7.64 -0.79 -0.81 113.62 115.88 1htt n SER 246 Ca -0.02 0.02 0.02 0.00 1.01 0.00 0.00 58.87 59.90 1htt n SER 246 Cb 0.10 -0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.14 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 -1.13 2.67 -1.08 -0.43 0.00 -0.29 -5.01 120.51 115.24 1htt n ALA 247 Ca 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 53.44 53.29 1htt n ALA 247 Cb 0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 1.07 0.42 3.59 0.00 0.00 0.01 -5.01 105.19 105.27 1htt n GLY 248 Ca 0.01 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 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 4.57 0.04 -0.61 1.01 -0.74 -5.01 121.20 118.43 1htt s ILE 249 Ca 0.00 1.07 -0.30 0.00 0.00 0.00 0.00 60.65 61.42 1htt s ILE 249 Cb 0.00 -4.35 -0.05 0.00 0.01 0.00 0.00 42.46 38.07 1htt s ILE 249 CO 0.00 -0.60 1.18 0.00 0.00 0.00 0.00 174.94 175.52 1htt s ALA 250 N 3.52 3.39 0.19 9.38 0.00 -1.26 -4.42 121.76 132.56 1htt s ALA 250 Ca 0.37 0.79 0.02 0.00 0.00 0.00 0.00 51.96 53.14 1htt s ALA 250 Cb -0.12 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 1htt s ALA 250 CO 0.20 -0.48 0.01 1.52 0.00 0.00 0.00 175.76 177.01 1htt s TYR 251 N 1.26 1.30 -0.12 0.00 -0.85 -1.26 -4.33 117.35 113.36 1htt s TYR 251 Ca 0.58 -1.01 0.03 0.00 -0.52 0.00 0.00 57.07 56.15 1htt s TYR 251 Cb -0.28 -0.74 0.01 0.00 0.38 0.00 0.00 41.96 41.33 1htt s TYR 251 CO 0.28 -0.19 -0.21 0.99 -1.52 0.00 0.00 175.55 174.90 1htt s THR 252 N -3.62 1.92 -0.39 -3.49 2.01 0.54 -5.01 115.64 107.60 1htt s THR 252 Ca 0.26 -0.91 -0.22 0.00 0.31 0.00 0.00 61.69 61.12 1htt s THR 252 Cb 0.06 -1.69 0.01 0.00 0.01 0.00 0.00 72.50 70.90 1htt s THR 252 CO 0.06 0.52 0.74 -0.69 -0.69 0.00 0.00 174.62 174.56 1htt s VAL 253 N 0.66 4.75 -0.29 3.82 1.01 -1.26 -0.19 120.40 128.90 1htt s VAL 253 Ca -0.12 0.61 -0.02 0.00 0.00 0.00 0.00 61.98 62.46 1htt s VAL 253 Cb -0.16 -4.21 0.05 0.00 0.00 0.00 0.00 36.38 32.05 1htt s VAL 253 CO 0.02 -0.51 -0.01 0.21 0.00 0.00 0.00 175.10 174.81 1htt s ASN 254 N 1.93 4.79 0.27 3.32 2.47 -0.31 -4.93 114.94 122.49 1htt s ASN 254 Ca 0.29 -1.21 0.25 0.00 0.42 0.00 0.00 52.86 52.61 1htt s ASN 254 Cb -0.13 -1.70 0.93 0.00 -1.45 0.00 0.00 41.25 38.90 1htt s ASN 254 CO 0.18 -0.24 1.75 1.56 -3.72 0.00 0.00 177.10 176.64 1htt h GLN 255 N 8.00 0.00 -0.01 0.43 4.20 -1.95 -1.52 115.11 124.26 1htt h GLN 255 Ca -0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1htt h GLN 255 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1htt h GLN 255 CO 0.54 0.00 -0.02 0.54 -0.67 0.00 0.00 178.83 179.22 1htt n ARG 256 N -2.33 1.50 -2.51 1.46 3.00 -1.26 -4.81 116.66 111.71 1htt n ARG 256 Ca 0.03 -0.79 -0.41 0.00 -0.01 0.00 0.00 57.85 56.67 1htt n ARG 256 Cb 0.31 -1.48 -0.03 0.00 0.00 0.00 0.00 32.46 31.26 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 -2.04 3.31 0.17 0.55 0.20 -0.57 -4.94 118.68 115.35 1htt s LEU 257 Ca 0.38 -0.10 0.11 0.00 0.69 0.00 0.00 54.13 55.21 1htt s LEU 257 Cb 0.21 -2.86 -0.04 0.00 -0.43 0.00 0.00 46.19 43.07 1htt s LEU 257 CO 0.35 -1.71 -0.24 -0.69 -0.29 0.00 0.00 176.35 173.77 1htt s VAL 258 N 5.65 2.24 0.51 1.68 1.01 -1.26 -4.84 120.40 125.39 1htt s VAL 258 Ca 0.42 -1.91 0.01 0.00 0.00 0.00 0.00 61.98 60.50 1htt s VAL 258 Cb -0.08 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.29 1htt s VAL 258 CO 0.21 -0.07 0.74 -0.13 0.00 0.00 0.00 175.10 175.84 1htt s ARG 259 N -2.44 2.73 -0.09 2.72 0.52 -1.26 -5.00 118.95 116.13 1htt s ARG 259 Ca 0.17 -0.68 0.07 0.00 -0.52 0.00 0.00 55.73 54.78 1htt s ARG 259 Cb -0.09 -2.52 0.37 0.00 0.52 0.00 0.00 34.95 33.23 1htt s ARG 259 CO 0.08 -0.55 1.12 0.41 0.02 0.00 0.00 175.30 176.38 1htt n GLY 260 N -2.24 1.83 3.12 -3.53 0.00 -1.26 -4.83 105.19 98.29 1htt n GLY 260 Ca 0.06 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.22 2.13 -0.78 0.99 2.01 -1.26 -4.70 118.68 115.84 1htt s LEU 261 Ca 0.25 -0.39 0.00 0.00 0.01 0.00 0.00 54.13 54.00 1htt s LEU 261 Cb 0.18 -0.61 0.36 0.00 0.01 0.00 0.00 46.19 46.12 1htt s LEU 261 CO 0.09 0.06 1.68 0.47 1.01 0.00 0.00 176.35 179.67 1htt n ASP 262 N 2.15 6.61 0.00 2.29 8.00 -0.14 -4.25 116.55 131.21 1htt n ASP 262 Ca -0.17 -3.76 0.00 0.00 0.71 0.00 0.00 54.79 51.57 1htt n ASP 262 Cb 0.55 -0.92 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 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 -0.38 0.00 -2.41 1.24 0.18 -1.26 -4.82 117.16 109.70 1htt n TYR 263 Ca 0.47 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.90 1htt n TYR 263 Cb 0.34 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.28 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 -0.52 2.92 0.00 -3.48 2.02 -1.25 -4.42 117.35 112.62 1htt s TYR 264 Ca 0.00 1.57 0.00 0.00 -0.37 0.00 0.00 57.07 58.27 1htt s TYR 264 Cb 0.00 -3.19 0.00 0.00 -0.40 0.00 0.00 41.96 38.37 1htt s TYR 264 CO 0.00 -1.13 0.00 0.27 -1.57 0.00 0.00 175.55 173.12 1htt n ASN 265 N -0.86 0.00 0.00 2.29 6.94 0.08 -4.92 115.26 118.79 1htt n ASN 265 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.65 1htt n ASN 265 Cb 0.51 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 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 -1.40 0.00 -2.14 -3.83 1.74 -1.24 -2.94 116.66 106.85 1htt n ARG 266 Ca 0.00 0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.70 1htt n ARG 266 Cb 0.00 -0.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.93 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 -0.10 3.21 -0.02 0.55 2.01 -1.26 -1.50 115.64 118.53 1htt s THR 267 Ca 0.00 0.88 0.00 0.00 0.31 0.00 0.00 61.69 62.88 1htt s THR 267 Cb 0.00 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 68.96 1htt s THR 267 CO 0.00 0.07 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.31 1htt s VAL 268 N 1.02 0.14 0.08 3.82 1.01 -0.10 -0.28 120.40 126.08 1htt s VAL 268 Ca 0.65 0.03 -0.16 0.00 0.00 0.00 0.00 61.98 62.50 1htt s VAL 268 Cb -0.38 -0.19 0.03 0.00 0.00 0.00 0.00 36.38 35.84 1htt s VAL 268 CO 0.31 0.10 0.37 0.72 0.00 0.00 0.00 175.10 176.59 1htt s PHE 269 N 0.59 -0.17 -0.12 5.22 -0.71 -0.79 -1.19 117.98 120.81 1htt s PHE 269 Ca -0.06 -0.04 -0.10 0.00 -1.04 0.00 0.00 56.93 55.69 1htt s PHE 269 Cb -0.08 0.18 0.04 0.00 -1.21 0.00 0.00 43.02 41.95 1htt s PHE 269 CO -0.01 -0.61 0.32 -1.21 -1.34 0.00 0.00 175.22 172.37 1htt s GLU 270 N -3.19 0.34 -0.28 1.99 2.02 -0.81 -1.99 118.70 116.78 1htt s GLU 270 Ca -0.01 0.52 -0.11 0.00 0.02 0.00 0.00 54.97 55.39 1htt s GLU 270 Cb 0.01 0.09 -0.04 0.00 0.10 0.00 0.00 34.13 34.28 1htt s GLU 270 CO -0.07 -0.09 0.18 -1.58 0.02 0.00 0.00 175.26 173.72 1htt s TRP 271 N 0.58 3.20 0.03 1.61 0.52 0.02 -1.29 118.94 123.61 1htt s TRP 271 Ca -0.03 0.02 0.09 0.00 0.02 0.00 0.00 56.10 56.20 1htt s TRP 271 Cb -0.05 -2.37 -0.03 0.00 -1.15 0.00 0.00 33.47 29.88 1htt s TRP 271 CO -0.03 -0.20 -0.26 0.54 0.02 0.00 0.00 176.95 177.01 1htt s VAL 272 N 1.74 2.10 0.28 4.03 0.11 -0.39 -1.06 120.40 127.21 1htt s VAL 272 Ca 0.07 -1.33 0.11 0.00 -2.93 0.00 0.00 61.98 57.90 1htt s VAL 272 Cb -0.16 -1.79 -0.05 0.00 -1.53 0.00 0.00 36.38 32.85 1htt s VAL 272 CO 0.10 0.40 -0.13 0.28 -3.33 0.00 0.00 175.10 172.42 1htt s THR 273 N -0.77 2.75 -0.80 5.04 -1.32 0.36 -0.77 115.64 120.13 1htt s THR 273 Ca 0.11 -2.25 0.02 0.00 -1.21 0.00 0.00 61.69 58.37 1htt s THR 273 Cb -0.10 -2.48 0.28 0.00 -1.51 0.00 0.00 72.50 68.69 1htt s THR 273 CO 0.01 -0.38 1.07 -0.46 -2.21 0.00 0.00 174.62 172.66 1htt n ASN 274 N -0.71 4.93 -3.71 8.08 0.23 -1.26 -4.47 115.26 118.34 1htt n ASN 274 Ca -0.05 -3.48 -0.42 0.00 -0.53 0.00 0.00 54.58 50.10 1htt n ASN 274 Cb 0.60 -0.88 -0.07 0.00 -2.08 0.00 0.00 39.78 37.35 1htt n ASN 274 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 1htt n GLN 279 N 0.82 1.19 0.00 -3.83 7.27 -1.26 -5.12 117.38 116.45 1htt n GLN 279 Ca 0.30 -1.74 0.00 0.00 0.07 0.00 0.00 57.00 55.63 1htt n GLN 279 Cb 0.37 -2.93 0.00 0.00 2.41 0.00 0.00 30.24 30.09 1htt n GLN 279 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1htt n GLY 280 N 4.77 2.27 3.66 1.69 0.00 -1.26 -4.83 105.19 111.50 1htt n GLY 280 Ca 0.48 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 46.12 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 4.61 -0.11 2.61 2.01 -1.26 -0.49 115.64 123.01 1htt s THR 281 Ca 0.00 1.93 0.14 0.00 0.31 0.00 0.00 61.69 64.08 1htt s THR 281 Cb 0.00 -4.25 -0.24 0.00 0.01 0.00 0.00 72.50 68.02 1htt s THR 281 CO 0.00 -0.15 0.40 0.52 -0.69 0.00 0.00 174.62 174.70 1htt n VAL 282 N 5.24 1.52 -3.79 3.82 0.31 -0.23 -4.87 118.33 120.33 1htt n VAL 282 Ca 0.12 -0.82 -0.13 0.00 -0.01 0.00 0.00 64.34 63.51 1htt n VAL 282 Cb 0.46 -0.82 -0.12 0.00 -0.91 0.00 0.00 33.84 32.45 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 0.23 -0.51 0.02 0.00 0.00 -0.20 -0.80 121.76 120.50 1htt s ALA 284 Ca -0.01 0.17 -0.05 0.00 0.00 0.00 0.00 51.96 52.08 1htt s ALA 284 Cb -0.02 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1htt s ALA 284 CO -0.01 -0.20 0.22 0.41 0.00 0.00 0.00 175.76 176.18 1htt n GLY 285 N 1.74 0.95 0.00 0.00 0.00 -0.84 -1.05 105.19 105.99 1htt n GLY 285 Ca -0.20 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.16 -1.35 3.92 -0.02 0.00 -0.84 -1.89 105.19 104.85 1htt n GLY 286 Ca 0.00 -0.96 -0.27 0.00 0.00 0.00 0.00 46.02 44.78 1htt n GLY 286 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1htt s ARG 287 N -0.86 3.57 -0.44 1.61 0.52 0.61 -2.19 118.95 121.76 1htt s ARG 287 Ca 0.00 -0.14 0.07 0.00 -0.52 0.00 0.00 55.73 55.14 1htt s ARG 287 Cb 0.00 -2.68 0.29 0.00 0.52 0.00 0.00 34.95 33.08 1htt s ARG 287 CO 0.00 0.23 0.89 2.48 0.02 0.00 0.00 175.30 178.91 1htt n TYR 288 N -1.12 -2.07 0.27 -0.53 4.11 -0.63 -0.74 117.16 116.45 1htt n TYR 288 Ca -0.03 -2.55 0.16 0.00 -0.00 0.00 0.00 57.90 55.48 1htt n TYR 288 Cb 0.54 0.93 0.80 0.00 -0.00 0.00 0.00 39.34 41.62 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 3.45 0.00 0.00 9.48 3.32 -1.80 -2.99 116.42 127.88 1htt h ASP 289 Ca -0.05 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1htt h ASP 289 Cb 1.02 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.57 1htt h ASP 289 CO 0.31 0.00 -1.93 0.61 -1.72 0.00 0.00 179.24 176.51 1htt n GLY 290 N -0.86 -0.92 0.34 2.75 0.00 -1.26 -4.23 105.19 101.01 1htt n GLY 290 Ca -0.01 -0.47 0.07 0.00 0.00 0.00 0.00 46.02 45.61 1htt n GLY 290 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1htt h LEU 291 N 0.00 0.54 -1.14 0.99 5.85 -1.79 -1.37 115.31 118.38 1htt h LEU 291 Ca -0.01 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1htt h LEU 291 Cb 0.95 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 1htt h LEU 291 CO 0.00 0.35 0.27 0.58 -0.34 0.00 0.00 178.44 179.30 1htt h VAL 292 N 0.61 1.21 -0.00 1.05 2.07 -1.84 -1.85 116.25 117.51 1htt h VAL 292 Ca 0.26 -0.62 -0.23 0.00 0.82 0.00 0.00 66.70 66.94 1htt h VAL 292 Cb 0.25 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1htt h VAL 292 CO -0.08 0.25 -0.94 1.05 0.02 0.00 0.00 177.57 177.87 1htt h GLU 293 N 0.86 0.42 -0.79 1.57 4.11 -1.39 0.25 114.58 119.61 1htt h GLU 293 Ca 0.21 -0.45 0.04 0.00 0.07 0.00 0.00 59.36 59.23 1htt h GLU 293 Cb 0.13 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1htt h GLU 293 CO -0.02 1.11 0.50 0.37 0.07 0.00 0.00 179.01 181.04 1htt h GLN 294 N 0.24 0.92 -0.73 1.06 4.15 -1.18 -0.43 115.11 119.14 1htt h GLN 294 Ca -0.08 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.28 1htt h GLN 294 Cb 1.58 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 29.06 1htt h GLN 294 CO 0.16 0.61 0.00 1.28 -1.93 0.00 0.00 178.83 178.95 1htt n LEU 295 N -4.62 2.39 0.00 -2.39 4.32 -0.73 -4.88 117.00 111.09 1htt n LEU 295 Ca 0.10 -1.21 0.00 0.00 -0.02 0.00 0.00 56.01 54.88 1htt n LEU 295 Cb 0.12 -0.48 0.00 0.00 -1.62 0.00 0.00 43.42 41.43 1htt n LEU 295 CO 0.32 0.37 0.00 0.61 -1.22 0.00 0.00 177.39 177.48 1htt n GLY 296 N 0.36 0.73 0.68 -0.72 0.00 -0.17 -5.00 105.19 101.07 1htt n GLY 296 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 1htt n GLY 296 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1htt n GLY 297 N -1.09 2.63 3.89 -0.02 0.00 0.07 -4.98 105.19 105.69 1htt n GLY 297 Ca 0.00 -2.18 -0.29 0.00 0.00 0.00 0.00 46.02 43.55 1htt n GLY 297 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1htt s ARG 298 N -2.42 3.62 0.14 1.61 0.52 -1.26 -3.99 118.95 117.16 1htt s ARG 298 Ca 0.07 0.47 -0.31 0.00 -0.52 0.00 0.00 55.73 55.44 1htt s ARG 298 Cb -0.01 -2.26 -0.08 0.00 0.52 0.00 0.00 34.95 33.12 1htt s ARG 298 CO 0.05 -0.31 1.38 0.00 0.02 0.00 0.00 175.30 176.43 1htt s ALA 299 N -2.83 3.58 -0.08 2.13 0.00 -1.26 -4.09 121.76 119.21 1htt s ALA 299 Ca 0.51 1.13 -0.06 0.00 0.00 0.00 0.00 51.96 53.54 1htt s ALA 299 Cb -0.10 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.52 1htt s ALA 299 CO 0.45 -0.60 0.20 0.99 0.00 0.00 0.00 175.76 176.80 1htt s THR 300 N 0.86 -0.02 0.58 0.00 2.01 -1.26 -4.98 115.64 112.83 1htt s THR 300 Ca 0.63 0.06 -0.17 0.00 0.31 0.00 0.00 61.69 62.52 1htt s THR 300 Cb -0.37 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.80 1htt s THR 300 CO 0.32 0.03 1.08 -2.84 -0.69 0.00 0.00 174.62 172.52 1htt s PRO 301 N 0.53 3.31 -0.06 4.92 0.02 -1.26 -4.62 135.00 137.84 1htt s PRO 301 Ca -0.04 1.35 -0.26 0.00 0.02 0.00 0.00 61.00 62.08 1htt s PRO 301 Cb -0.05 -2.02 0.06 0.00 0.02 0.00 0.00 34.50 32.51 1htt s PRO 301 CO -0.03 -0.84 0.58 0.00 -0.33 0.00 0.00 177.00 176.38 1htt s ALA 302 N -2.21 -1.49 0.02 -1.55 0.00 -1.26 -1.06 121.76 114.21 1htt s ALA 302 Ca 0.67 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 53.63 1htt s ALA 302 Cb -0.19 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.84 1htt s ALA 302 CO 0.33 -0.33 0.23 0.08 0.00 0.00 0.00 175.76 176.06 1htt s VAL 303 N -1.04 0.08 -0.01 0.00 1.01 -0.83 -1.61 120.40 118.00 1htt s VAL 303 Ca -0.10 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 1htt s VAL 303 Cb -0.02 -0.71 0.05 0.00 0.00 0.00 0.00 36.38 35.70 1htt s VAL 303 CO 0.07 -0.38 0.66 0.61 0.00 0.00 0.00 175.10 176.06 1htt n GLY 304 N 1.03 0.42 3.83 4.51 0.00 -0.93 -1.29 105.19 112.76 1htt n GLY 304 Ca -0.21 -0.94 -0.07 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.55 -0.11 0.01 1.61 -0.12 -0.27 -2.00 117.98 114.55 1htt s PHE 305 Ca 0.16 -0.35 -0.11 0.00 -0.05 0.00 0.00 56.93 56.58 1htt s PHE 305 Cb -0.00 0.66 0.01 0.00 -0.63 0.00 0.00 43.02 43.05 1htt s PHE 305 CO -0.00 -1.23 0.22 0.00 -0.05 0.00 0.00 175.22 174.15 1htt s ALA 306 N -3.85 -0.50 0.01 1.99 0.00 -0.21 -0.21 121.76 118.99 1htt s ALA 306 Ca 0.12 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.08 1htt s ALA 306 Cb -0.05 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 1htt s ALA 306 CO 0.07 -0.29 -0.10 1.41 0.00 0.00 0.00 175.76 176.86 1htt s MET 307 N -1.83 0.75 -0.57 0.00 0.00 0.25 -1.03 119.30 116.87 1htt s MET 307 Ca -0.11 -0.46 -0.24 0.00 0.00 0.00 0.00 55.69 54.88 1htt s MET 307 Cb -0.04 -0.72 0.05 0.00 0.00 0.00 0.00 34.83 34.12 1htt s MET 307 CO 0.00 0.19 0.93 0.20 0.00 0.00 0.00 175.02 176.34 1htt s GLY 308 N -0.56 1.42 0.59 2.11 0.00 -0.57 -2.27 107.32 108.04 1htt s GLY 308 Ca 0.02 -1.37 0.30 0.00 0.00 0.00 0.00 44.72 43.66 1htt s GLY 308 CO 0.00 2.03 2.25 1.41 0.00 0.00 0.00 173.10 178.79 1htt h LEU 309 N 10.99 0.00 -0.46 0.66 3.38 -1.73 -0.59 115.31 127.57 1htt h LEU 309 Ca -0.27 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.54 1htt h LEU 309 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1htt h LEU 309 CO 1.10 0.01 -0.45 -0.33 0.09 0.00 0.00 178.44 178.86 1htt h GLU 310 N 0.00 0.78 -0.10 1.13 3.07 -1.90 -1.47 114.58 116.08 1htt h GLU 310 Ca -0.00 -0.44 -0.18 0.00 -0.50 0.00 0.00 59.36 58.24 1htt h GLU 310 Cb 0.01 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1htt h GLU 310 CO 0.00 1.07 -0.69 0.00 -1.40 0.00 0.00 179.01 177.99 1htt h ARG 311 N 0.63 0.44 0.17 2.33 3.08 -1.48 -1.87 114.38 117.67 1htt h ARG 311 Ca 0.04 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 1htt h ARG 311 Cb 1.02 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1htt h ARG 311 CO 0.10 0.97 -0.08 1.25 -1.07 0.00 0.00 179.97 181.14 1htt h LEU 312 N 0.31 -0.19 -1.45 3.04 5.85 -1.19 -1.41 115.31 120.27 1htt h LEU 312 Ca -0.02 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.56 1htt h LEU 312 Cb 1.26 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 1htt h LEU 312 CO 0.12 0.09 0.42 0.58 -0.34 0.00 0.00 178.44 179.31 1htt h VAL 313 N -0.47 1.04 -0.48 1.05 2.07 -1.22 0.72 116.25 118.96 1htt h VAL 313 Ca -0.02 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.16 1htt h VAL 313 Cb 0.37 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1htt h VAL 313 CO 0.04 0.12 -0.12 0.25 0.02 0.00 0.00 177.57 177.88 1htt h LEU 314 N 0.68 0.90 -0.01 2.57 5.85 -1.26 -2.30 115.31 121.75 1htt h LEU 314 Ca 0.27 -0.29 -0.24 0.00 0.84 0.00 0.00 57.88 58.45 1htt h LEU 314 Cb 0.20 -0.25 0.02 0.00 0.37 0.00 0.00 40.66 41.00 1htt h LEU 314 CO -0.08 1.03 -0.94 0.25 -0.34 0.00 0.00 178.44 178.36 1htt h LEU 315 N 0.81 0.85 0.70 2.25 5.85 0.21 -2.52 115.31 123.45 1htt h LEU 315 Ca 0.13 -0.74 -0.03 0.00 0.84 0.00 0.00 57.88 58.08 1htt h LEU 315 Cb 0.65 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.43 1htt h LEU 315 CO 0.05 1.47 -0.34 0.58 -0.34 0.00 0.00 178.44 179.86 1htt h VAL 316 N 0.31 0.25 -1.06 1.05 2.07 -1.08 0.26 116.25 118.05 1htt h VAL 316 Ca -0.12 -0.14 0.30 0.00 0.82 0.00 0.00 66.70 67.56 1htt h VAL 316 Cb 1.61 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 1htt h VAL 316 CO 0.19 0.02 0.75 1.56 0.02 0.00 0.00 177.57 180.11 1htt h GLN 317 N -1.05 0.05 0.00 1.57 4.20 -1.45 0.54 115.11 118.98 1htt h GLN 317 Ca -0.10 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 1htt h GLN 317 Cb 0.75 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 1htt h GLN 317 CO 0.16 0.03 -0.50 0.00 -0.67 0.00 0.00 178.83 177.85 1htt h ALA 318 N 1.49 0.09 0.00 3.87 0.00 -1.13 -3.25 119.26 120.33 1htt h ALA 318 Ca 0.51 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1htt h ALA 318 Cb 1.96 0.32 0.00 0.00 0.00 0.00 0.00 17.79 20.07 1htt h ALA 318 CO -0.04 0.31 -0.12 0.28 0.00 0.00 0.00 179.25 179.68 1htt h VAL 319 N -1.00 0.00 -0.95 0.00 2.07 -0.40 -3.32 116.25 112.65 1htt h VAL 319 Ca -0.12 -0.59 -0.46 0.00 0.82 0.00 0.00 66.70 66.35 1htt h VAL 319 Cb 0.91 1.52 -0.41 0.00 -1.52 0.00 0.00 31.29 31.79 1htt h VAL 319 CO -0.07 0.00 -0.93 -3.20 0.02 0.00 0.00 177.57 173.38 1htt n ASN 320 N -2.42 3.45 0.00 0.57 2.85 0.19 -4.99 115.26 114.91 1htt n ASN 320 Ca 0.05 -3.16 0.00 0.00 -0.11 0.00 0.00 54.58 51.35 1htt n ASN 320 Cb 0.45 -0.44 0.00 0.00 1.24 0.00 0.00 39.78 41.03 1htt n ASN 320 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1htt n PRO 321 N -0.49 0.00 -2.11 1.20 -0.04 -1.23 -0.44 135.00 131.90 1htt n PRO 321 Ca 0.28 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.45 1htt n PRO 321 Cb 0.82 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.30 1htt n PRO 321 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1htt n GLU 322 N -2.65 3.31 -2.30 0.54 1.02 -1.26 -4.91 120.64 114.39 1htt n GLU 322 Ca 0.00 -4.11 -0.42 0.00 -0.02 0.00 0.00 57.16 52.61 1htt n GLU 322 Cb 0.00 -2.27 -0.03 0.00 -0.02 0.00 0.00 31.44 29.13 1htt n GLU 322 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1htt s PHE 323 N -3.67 2.20 0.08 -0.32 2.19 0.42 -4.98 117.98 113.90 1htt s PHE 323 Ca 0.52 0.57 0.02 0.00 0.33 0.00 0.00 56.93 58.37 1htt s PHE 323 Cb 0.42 -4.31 -0.04 0.00 -1.31 0.00 0.00 43.02 37.78 1htt s PHE 323 CO -0.12 -2.12 0.14 0.21 1.83 0.00 0.00 175.22 175.16 1htt s LYS 324 N 5.54 3.09 0.39 10.12 2.47 -1.26 -5.01 119.74 135.09 1htt s LYS 324 Ca 0.59 -0.61 0.08 0.00 -1.56 0.00 0.00 55.97 54.46 1htt s LYS 324 Cb -0.13 -2.84 -0.01 0.00 -1.46 0.00 0.00 37.83 33.39 1htt s LYS 324 CO 0.27 0.57 0.42 0.00 0.16 0.00 0.00 175.35 176.78 1htt s ALA 325 N -1.47 4.17 0.36 3.13 0.00 -1.26 -5.02 121.76 121.67 1htt s ALA 325 Ca 0.32 -1.74 -0.27 0.00 0.00 0.00 0.00 51.96 50.27 1htt s ALA 325 Cb -0.12 -1.28 -0.12 0.00 0.00 0.00 0.00 23.12 21.59 1htt s ALA 325 CO 0.24 -0.18 1.18 -0.40 0.00 0.00 0.00 175.76 176.60 1htt n ASP 326 N -1.61 2.15 -4.80 0.00 5.68 -1.26 -5.01 116.55 111.69 1htt n ASP 326 Ca 0.03 1.16 -0.35 0.00 -0.50 0.00 0.00 54.79 55.14 1htt n ASP 326 Cb 0.60 -1.42 -0.06 0.00 -1.14 0.00 0.00 41.12 39.10 1htt n ASP 326 CO 0.00 0.00 0.00 -2.84 -1.33 0.00 0.00 177.20 173.03 1htt s PRO 327 N -1.88 4.29 0.00 0.11 0.02 -1.26 -4.98 135.00 131.30 1htt s PRO 327 Ca 0.58 1.24 0.25 0.00 0.02 0.00 0.00 61.00 63.09 1htt s PRO 327 Cb -0.59 -2.38 0.47 0.00 0.02 0.00 0.00 34.50 32.02 1htt s PRO 327 CO 0.60 0.01 1.39 1.33 -0.33 0.00 0.00 177.00 180.00 1htt n VAL 328 N -0.27 0.00 -4.48 3.83 0.24 -1.26 -4.79 118.33 111.60 1htt n VAL 328 Ca 0.06 -0.04 -0.21 0.00 -2.04 0.00 0.00 64.34 62.11 1htt n VAL 328 Cb 0.52 0.39 -0.15 0.00 -1.47 0.00 0.00 33.84 33.13 1htt n VAL 328 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1htt s VAL 329 N -2.87 0.90 -0.19 3.34 1.01 -1.24 -4.84 120.40 116.51 1htt s VAL 329 Ca 0.14 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 1htt s VAL 329 Cb 0.18 -0.78 -0.10 0.00 0.00 0.00 0.00 36.38 35.68 1htt s VAL 329 CO 0.67 0.27 -0.22 0.47 0.00 0.00 0.00 175.10 176.29 1htt n ASP 330 N 3.07 1.90 -4.16 3.32 8.00 0.11 -3.71 116.55 125.08 1htt n ASP 330 Ca -0.16 0.10 -0.29 0.00 0.71 0.00 0.00 54.79 55.15 1htt n ASP 330 Cb 0.55 -0.46 -0.17 0.00 -0.02 0.00 0.00 41.12 41.02 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 -2.37 1.69 -0.17 0.53 1.01 -0.44 -0.44 121.20 121.01 1htt s ILE 331 Ca -0.27 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.52 1htt s ILE 331 Cb 0.09 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 1htt s ILE 331 CO 0.39 0.48 -0.03 -0.47 0.00 0.00 0.00 174.94 175.30 1htt s TYR 332 N 0.24 3.01 -0.48 3.97 5.04 -0.75 -1.05 117.35 127.33 1htt s TYR 332 Ca -0.11 -0.39 -0.17 0.00 -2.44 0.00 0.00 57.07 53.96 1htt s TYR 332 Cb -0.15 -1.99 0.07 0.00 0.35 0.00 0.00 41.96 40.24 1htt s TYR 332 CO 0.05 -0.12 0.48 -1.17 -1.34 0.00 0.00 175.55 173.45 1htt s LEU 333 N 0.56 5.37 0.03 6.97 0.20 0.31 -1.64 118.68 130.47 1htt s LEU 333 Ca -0.03 -1.16 -0.26 0.00 0.69 0.00 0.00 54.13 53.38 1htt s LEU 333 Cb -0.14 -2.28 -0.05 0.00 -0.43 0.00 0.00 46.19 43.29 1htt s LEU 333 CO 0.03 -0.73 0.79 -0.69 -0.29 0.00 0.00 176.35 175.45 1htt s VAL 334 N 2.01 4.78 -0.24 1.68 1.01 -0.30 -1.06 120.40 128.28 1htt s VAL 334 Ca 0.08 1.67 -0.08 0.00 0.00 0.00 0.00 61.98 63.66 1htt s VAL 334 Cb -0.22 -4.14 0.11 0.00 0.00 0.00 0.00 36.38 32.13 1htt s VAL 334 CO 0.09 0.32 0.51 0.00 0.00 0.00 0.00 175.10 176.02 1htt s ALA 335 N 0.20 -1.52 0.16 5.51 0.00 -1.26 -1.20 121.76 123.65 1htt s ALA 335 Ca 0.40 1.79 -0.01 0.00 0.00 0.00 0.00 51.96 54.14 1htt s ALA 335 Cb -0.20 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 1htt s ALA 335 CO 0.23 -0.87 0.08 0.45 0.00 0.00 0.00 175.76 175.66 1htt s SER 336 N 2.72 0.31 0.00 0.00 0.15 -1.04 -4.89 113.70 110.95 1htt s SER 336 Ca -0.02 -1.28 0.00 0.00 0.70 0.00 0.00 55.95 55.35 1htt s SER 336 Cb -0.12 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1htt s SER 336 CO -0.15 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.13 1htt n GLY 337 N -0.18 2.48 3.68 9.45 0.00 -1.26 -4.00 105.19 115.35 1htt n GLY 337 Ca -0.02 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 1htt n GLY 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1htt s ALA 338 N -2.62 3.65 -1.36 4.61 0.00 -1.26 -3.22 121.76 121.56 1htt s ALA 338 Ca 0.00 1.10 -0.02 0.00 0.00 0.00 0.00 51.96 53.04 1htt s ALA 338 Cb 0.00 -3.70 0.01 0.00 0.00 0.00 0.00 23.12 19.43 1htt s ALA 338 CO 0.00 -1.18 0.16 -0.25 0.00 0.00 0.00 175.76 174.48 1htt n ASP 339 N 6.09 -4.76 0.10 0.00 9.92 -1.26 -4.90 116.55 121.75 1htt n ASP 339 Ca 0.16 -0.01 -0.04 0.00 -0.53 0.00 0.00 54.79 54.37 1htt n ASP 339 Cb 0.42 -3.97 0.05 0.00 -0.64 0.00 0.00 41.12 36.97 1htt n ASP 339 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1htt h THR 340 N -0.34 1.56 -0.78 -3.53 2.02 -1.87 -3.38 112.91 106.60 1htt h THR 340 Ca -0.40 -2.68 0.05 0.00 0.77 0.00 0.00 66.41 64.15 1htt h THR 340 Cb 1.29 2.45 -0.05 0.00 -1.74 0.00 0.00 68.15 70.10 1htt h THR 340 CO 0.47 0.77 0.51 1.56 0.37 0.00 0.00 175.52 179.20 1htt h GLN 341 N 0.00 0.87 -0.41 6.66 1.08 -1.90 -0.07 115.11 121.34 1htt h GLN 341 Ca -0.01 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.05 1htt h GLN 341 Cb 1.39 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 28.60 1htt h GLN 341 CO 0.10 0.57 -0.11 1.03 -0.95 0.00 0.00 178.83 179.47 1htt h SER 342 N 0.89 0.71 -0.40 1.46 0.87 -2.00 0.99 113.55 116.08 1htt h SER 342 Ca 0.33 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 1htt h SER 342 Cb 0.15 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 1htt h SER 342 CO -0.11 0.86 0.18 0.00 -0.53 0.00 0.00 176.83 177.23 1htt h ALA 343 N 1.21 0.52 -0.07 6.23 0.00 -1.31 0.14 119.26 125.98 1htt h ALA 343 Ca 0.11 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1htt h ALA 343 Cb 0.57 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1htt h ALA 343 CO 0.04 0.10 -0.05 0.00 0.00 0.00 0.00 179.25 179.33 1htt h ALA 344 N 1.03 0.01 -0.12 0.00 0.00 -0.72 -0.01 119.26 119.46 1htt h ALA 344 Ca 0.14 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1htt h ALA 344 Cb 0.15 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1htt h ALA 344 CO -0.01 -0.52 -0.30 0.52 0.00 0.00 0.00 179.25 178.93 1htt h MET 345 N -0.06 0.22 -0.34 0.00 2.86 -0.60 -1.44 114.93 115.57 1htt h MET 345 Ca 0.05 -0.08 -0.17 0.00 -2.06 0.00 0.00 59.70 57.43 1htt h MET 345 Cb 0.12 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 1htt h MET 345 CO -0.11 0.51 -0.46 0.00 1.06 0.00 0.00 176.91 177.91 1htt h ALA 346 N 1.50 0.53 -0.43 6.32 0.00 -0.28 -1.42 119.26 125.48 1htt h ALA 346 Ca 0.03 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 1htt h ALA 346 Cb 0.64 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1htt h ALA 346 CO 0.05 0.68 -0.16 1.25 0.00 0.00 0.00 179.25 181.06 1htt h LEU 347 N 0.72 0.82 -0.03 0.00 5.85 -0.82 -1.97 115.31 119.87 1htt h LEU 347 Ca 0.04 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1htt h LEU 347 Cb 1.06 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 1htt h LEU 347 CO 0.11 0.98 0.02 0.00 -0.34 0.00 0.00 178.44 179.20 1htt h ALA 348 N 1.09 0.03 -0.66 1.25 0.00 -1.06 -0.67 119.26 119.25 1htt h ALA 348 Ca 0.11 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1htt h ALA 348 Cb 0.67 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 1htt h ALA 348 CO 0.05 -0.46 0.33 0.93 0.00 0.00 0.00 179.25 180.10 1htt h GLU 349 N 0.02 0.58 0.04 0.00 4.39 -1.07 -1.27 114.58 117.27 1htt h GLU 349 Ca 0.01 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1htt h GLU 349 Cb 0.01 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1htt h GLU 349 CO -0.00 0.39 -0.02 -0.09 -1.16 0.00 0.00 179.01 178.12 1htt h ARG 350 N 0.60 -0.06 0.00 2.33 2.43 -1.02 -1.92 114.38 116.74 1htt h ARG 350 Ca 0.31 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1htt h ARG 350 Cb 0.27 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1htt h ARG 350 CO -0.23 0.10 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.25 1htt h LEU 351 N -0.20 0.00 -0.17 3.80 3.38 -0.92 -0.82 115.31 120.38 1htt h LEU 351 Ca -0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1htt h LEU 351 Cb 0.18 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.93 1htt h LEU 351 CO 0.01 0.01 -0.66 0.03 0.09 0.00 0.00 178.44 177.92 1htt h ARG 352 N 0.00 0.74 -0.44 1.13 3.08 -0.50 0.27 114.38 118.67 1htt h ARG 352 Ca -0.00 -0.58 -0.04 0.00 0.07 0.00 0.00 59.98 59.43 1htt h ARG 352 Cb 0.03 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1htt h ARG 352 CO 0.00 1.19 0.10 -0.44 -1.07 0.00 0.00 179.97 179.75 1htt h ASP 353 N 0.46 0.60 0.64 7.04 3.32 -0.59 -3.20 116.42 124.68 1htt h ASP 353 Ca -0.04 -0.09 -0.27 0.00 0.02 0.00 0.00 57.03 56.65 1htt h ASP 353 Cb 1.29 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.65 1htt h ASP 353 CO 0.14 0.60 -1.47 -0.33 -1.72 0.00 0.00 179.24 176.46 1htt h GLU 354 N 0.63 0.03 -3.43 3.56 5.08 -1.06 -3.39 114.58 116.01 1htt h GLU 354 Ca 0.14 -0.05 -0.66 0.00 -1.00 0.00 0.00 59.36 57.80 1htt h GLU 354 Cb 0.24 0.02 -0.39 0.00 0.50 0.00 0.00 28.75 29.12 1htt h GLU 354 CO -0.00 0.73 -0.54 -0.51 -1.00 0.00 0.00 179.01 177.68 1htt s LEU 355 N -6.39 4.61 0.23 1.33 1.02 0.95 -5.06 118.68 115.37 1htt s LEU 355 Ca -0.04 -2.99 -0.31 0.00 0.02 0.00 0.00 54.13 50.81 1htt s LEU 355 Cb 0.08 -1.71 -0.11 0.00 0.02 0.00 0.00 46.19 44.47 1htt s LEU 355 CO 0.82 -0.27 1.64 -2.84 0.02 0.00 0.00 176.35 175.72 1htt s PRO 356 N -0.26 4.15 -0.96 1.29 0.02 -1.25 -2.63 135.00 135.36 1htt s PRO 356 Ca 0.17 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.73 1htt s PRO 356 Cb -0.24 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.21 1htt s PRO 356 CO -0.01 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.40 1htt n GLY 357 N 3.18 -0.08 3.89 0.52 0.00 -1.26 -5.04 105.19 106.40 1htt n GLY 357 Ca 0.12 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 1htt n GLY 357 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1htt s VAL 358 N -2.56 5.49 -0.53 1.61 -7.23 -1.08 -5.05 120.40 111.04 1htt s VAL 358 Ca 0.00 0.13 -0.22 0.00 -1.81 0.00 0.00 61.98 60.08 1htt s VAL 358 Cb 0.00 -3.44 0.05 0.00 0.56 0.00 0.00 36.38 33.55 1htt s VAL 358 CO 0.00 0.55 0.81 -0.54 -0.31 0.00 0.00 175.10 175.61 1htt s LYS 359 N -1.24 3.24 -0.13 4.82 1.02 -1.26 -4.98 119.74 121.20 1htt s LYS 359 Ca 0.18 -0.54 0.02 0.00 0.02 0.00 0.00 55.97 55.65 1htt s LYS 359 Cb -0.12 -4.08 0.01 0.00 -0.52 0.00 0.00 37.83 33.12 1htt s LYS 359 CO 0.08 -1.38 -0.20 -1.17 -0.92 0.00 0.00 175.35 171.75 1htt s LEU 360 N 3.40 2.00 -0.12 3.17 0.20 -1.26 0.04 118.68 126.11 1htt s LEU 360 Ca 0.24 -0.55 0.02 0.00 0.69 0.00 0.00 54.13 54.52 1htt s LEU 360 Cb -0.15 -1.35 -0.00 0.00 -0.43 0.00 0.00 46.19 44.26 1htt s LEU 360 CO 0.16 0.07 -0.20 -0.32 -0.29 0.00 0.00 176.35 175.77 1htt s MET 361 N 0.84 3.16 -0.36 1.98 1.75 -0.22 -5.00 119.30 121.45 1htt s MET 361 Ca -0.07 -0.81 -0.25 0.00 -1.25 0.00 0.00 55.69 53.31 1htt s MET 361 Cb -0.15 -2.46 0.01 0.00 2.84 0.00 0.00 34.83 35.07 1htt s MET 361 CO -0.01 0.13 0.88 0.99 -0.65 0.00 0.00 175.02 176.36 1htt s THR 362 N 0.50 4.63 0.39 10.11 2.01 -1.26 -0.53 115.64 131.49 1htt s THR 362 Ca -0.13 1.11 -0.25 0.00 0.31 0.00 0.00 61.69 62.74 1htt s THR 362 Cb -0.17 -4.29 -0.12 0.00 0.01 0.00 0.00 72.50 67.93 1htt s THR 362 CO 0.05 -0.50 0.88 -3.20 -0.69 0.00 0.00 174.62 171.17 1htt n ASN 363 N 6.65 0.66 -4.06 3.53 5.15 -0.22 -4.94 115.26 122.03 1htt n ASN 363 Ca 0.06 1.03 -0.07 0.00 -0.60 0.00 0.00 54.58 55.00 1htt n ASN 363 Cb 0.48 -1.27 -0.10 0.00 -0.53 0.00 0.00 39.78 38.36 1htt n ASN 363 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1htt s HIS 364 N -1.28 0.47 -0.35 1.20 3.76 -1.26 -4.85 115.29 112.98 1htt s HIS 364 Ca 0.63 -0.98 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 1htt s HIS 364 Cb -0.61 -0.35 0.00 0.00 1.11 0.00 0.00 32.58 32.74 1htt s HIS 364 CO 0.58 -0.37 0.00 0.41 -0.85 0.00 0.00 174.74 174.50 1htt n GLY 365 N 0.24 0.64 7.00 -2.22 0.00 -1.26 -4.82 105.19 104.77 1htt n GLY 365 Ca -0.15 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.45 0.41 0.00 -0.02 0.00 -1.26 -5.04 105.19 96.83 1htt n GLY 366 Ca -0.03 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 3.11 3.83 -0.02 0.00 -1.26 -4.91 105.19 105.94 1htt n GLY 367 Ca 0.00 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 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 5.02 0.39 1.61 2.20 -1.26 -4.75 114.94 118.14 1htt s ASN 368 Ca 0.00 1.32 0.14 0.00 -0.94 0.00 0.00 52.86 53.39 1htt s ASN 368 Cb 0.00 -2.12 0.99 0.00 -2.00 0.00 0.00 41.25 38.12 1htt s ASN 368 CO 0.00 -1.64 1.83 -0.26 -2.94 0.00 0.00 177.10 174.09 1htt h PHE 369 N -0.86 0.69 -0.43 1.54 -1.00 -1.98 -0.66 116.94 114.24 1htt h PHE 369 Ca -0.46 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.32 1htt h PHE 369 Cb 1.25 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 40.58 1htt h PHE 369 CO 0.51 0.17 0.18 -0.22 -1.61 0.00 0.00 178.31 177.34 1htt h LYS 370 N 0.51 0.64 0.35 1.51 1.63 -1.99 0.95 116.57 120.16 1htt h LYS 370 Ca 0.51 -0.11 -0.02 0.00 -0.85 0.00 0.00 60.65 60.18 1htt h LYS 370 Cb 1.12 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.64 1htt h LYS 370 CO -0.24 0.58 -0.17 0.87 -3.45 0.00 0.00 179.45 177.05 1htt h LYS 371 N 0.55 -0.45 -0.75 1.90 1.57 -1.55 -1.83 116.57 116.00 1htt h LYS 371 Ca 0.14 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.07 1htt h LYS 371 Cb 0.17 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 1htt h LYS 371 CO -0.01 -0.20 0.50 1.96 -0.57 0.00 0.00 179.45 181.12 1htt h GLN 372 N -0.64 0.54 -0.06 3.15 4.20 -0.97 0.94 115.11 122.28 1htt h GLN 372 Ca -0.05 -0.03 -0.20 0.00 0.06 0.00 0.00 58.65 58.43 1htt h GLN 372 Cb 0.46 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1htt h GLN 372 CO 0.08 0.36 -0.79 0.74 -0.67 0.00 0.00 178.83 178.54 1htt h PHE 373 N 0.56 0.60 -0.52 2.96 0.04 -0.64 -1.78 116.94 118.16 1htt h PHE 373 Ca 0.36 -0.28 -0.08 0.00 2.80 0.00 0.00 57.97 60.76 1htt h PHE 373 Cb 0.63 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 1htt h PHE 373 CO -0.00 1.06 -0.00 0.00 -0.60 0.00 0.00 178.31 178.77 1htt h ALA 374 N 0.85 1.01 -0.83 2.45 0.00 -0.20 -1.56 119.26 120.98 1htt h ALA 374 Ca -0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1htt h ALA 374 Cb 1.39 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1htt h ALA 374 CO 0.14 0.61 0.46 0.00 0.00 0.00 0.00 179.25 180.46 1htt h ARG 375 N 0.82 1.15 -0.82 0.00 3.08 -0.75 -0.23 114.38 117.62 1htt h ARG 375 Ca 0.15 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1htt h ARG 375 Cb 0.50 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 1htt h ARG 375 CO 0.02 0.83 0.53 0.00 -1.07 0.00 0.00 179.97 180.28 1htt h ALA 376 N 1.35 1.38 -0.54 0.04 0.00 -0.40 -1.89 119.26 119.20 1htt h ALA 376 Ca 0.29 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1htt h ALA 376 Cb 0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1htt h ALA 376 CO -0.05 0.56 0.00 -0.44 0.00 0.00 0.00 179.25 179.32 1htt h ASP 377 N 1.12 0.94 -0.91 0.00 3.32 -0.44 -2.13 116.42 118.32 1htt h ASP 377 Ca 0.30 -0.30 0.11 0.00 0.02 0.00 0.00 57.03 57.15 1htt h ASP 377 Cb -0.10 -0.25 -0.08 0.00 0.22 0.00 0.00 39.33 39.12 1htt h ASP 377 CO -0.06 1.01 0.54 0.50 -1.72 0.00 0.00 179.24 179.51 1htt h LYS 378 N 0.84 0.85 -0.00 3.56 3.64 -0.27 -2.47 116.57 122.71 1htt h LYS 378 Ca 0.15 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1htt h LYS 378 Cb 0.53 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1htt h LYS 378 CO 0.03 0.56 -0.17 0.91 -2.27 0.00 0.00 179.45 178.51 1htt n TRP 379 N -4.69 0.00 -1.31 1.91 7.02 -1.03 -4.92 117.44 114.42 1htt n TRP 379 Ca 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.64 1htt n TRP 379 Cb 0.32 -0.22 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 1.34 0.43 3.76 6.99 0.00 -0.93 -3.65 105.19 113.12 1htt n GLY 380 Ca 0.12 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 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 3.00 -0.14 4.61 0.00 -0.82 -4.70 121.76 121.72 1htt s ALA 381 Ca 0.00 1.24 0.10 0.00 0.00 0.00 0.00 51.96 53.30 1htt s ALA 381 Cb 0.00 -3.51 -0.23 0.00 0.00 0.00 0.00 23.12 19.37 1htt s ALA 381 CO 0.00 -1.08 0.30 0.54 0.00 0.00 0.00 175.76 175.52 1htt n ARG 382 N -0.55 0.67 -4.08 0.00 1.74 0.41 -4.81 116.66 110.05 1htt n ARG 382 Ca 0.08 0.17 -0.14 0.00 -0.77 0.00 0.00 57.85 57.19 1htt n ARG 382 Cb 0.45 -1.65 -0.12 0.00 -1.02 0.00 0.00 32.46 30.11 1htt n ARG 382 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1htt s VAL 383 N -2.55 0.48 -0.03 1.55 1.01 -1.16 -0.66 120.40 119.04 1htt s VAL 383 Ca -0.13 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.09 1htt s VAL 383 Cb 0.07 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 1htt s VAL 383 CO 0.79 -0.25 -0.24 0.00 0.00 0.00 0.00 175.10 175.40 1htt s ALA 384 N -1.02 2.01 -0.18 5.51 0.00 -0.50 -1.82 121.76 125.76 1htt s ALA 384 Ca -0.07 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 1htt s ALA 384 Cb -0.08 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 1htt s ALA 384 CO 0.00 0.44 -0.06 0.14 0.00 0.00 0.00 175.76 176.29 1htt s VAL 385 N -0.36 3.48 0.01 0.00 -7.23 -0.65 -1.09 120.40 114.55 1htt s VAL 385 Ca 0.03 -0.48 -0.04 0.00 -1.81 0.00 0.00 61.98 59.68 1htt s VAL 385 Cb -0.11 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1htt s VAL 385 CO 0.01 0.47 0.23 -0.69 -0.31 0.00 0.00 175.10 174.81 1htt s VAL 386 N 0.86 5.36 -0.33 1.32 1.01 -0.23 -1.15 120.40 127.25 1htt s VAL 386 Ca -0.01 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1htt s VAL 386 Cb -0.15 -3.56 0.14 0.00 0.00 0.00 0.00 36.38 32.82 1htt s VAL 386 CO 0.01 0.32 0.31 -0.22 0.00 0.00 0.00 175.10 175.52 1htt s LEU 387 N -1.91 -0.00 0.00 3.92 2.96 -0.34 -2.17 118.68 121.13 1htt s LEU 387 Ca 0.28 -1.26 0.00 0.00 -0.22 0.00 0.00 54.13 52.93 1htt s LEU 387 Cb -0.13 0.39 0.00 0.00 0.50 0.00 0.00 46.19 46.95 1htt s LEU 387 CO 0.18 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.49 1htt n GLY 388 N 4.75 0.43 0.25 7.98 0.00 -1.26 -2.51 105.19 114.84 1htt n GLY 388 Ca 0.04 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.07 1htt n GLY 388 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1htt h GLU 389 N 0.00 0.87 0.08 1.61 5.08 -1.91 -2.89 114.58 117.42 1htt h GLU 389 Ca 0.00 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.05 1htt h GLU 389 Cb 0.00 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1htt h GLU 389 CO 0.00 0.97 -0.23 0.66 -1.00 0.00 0.00 179.01 179.42 1htt h SER 390 N 0.70 -0.65 -0.54 1.42 4.64 -1.95 -1.45 113.55 115.73 1htt h SER 390 Ca 0.11 0.08 0.02 0.00 -0.47 0.00 0.00 61.79 61.53 1htt h SER 390 Cb 0.65 0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.97 1htt h SER 390 CO 0.04 -0.31 0.36 -0.33 -0.87 0.00 0.00 176.83 175.72 1htt h GLU 391 N -0.40 0.64 -0.33 4.77 3.07 -1.85 0.58 114.58 121.07 1htt h GLU 391 Ca 0.04 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 1htt h GLU 391 Cb 0.44 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1htt h GLU 391 CO -0.15 0.43 0.01 0.28 -1.40 0.00 0.00 179.01 178.17 1htt h VAL 392 N 0.66 1.25 -0.23 3.13 2.07 -1.20 -0.53 116.25 121.42 1htt h VAL 392 Ca 0.21 -0.94 -0.19 0.00 0.82 0.00 0.00 66.70 66.60 1htt h VAL 392 Cb 0.02 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1htt h VAL 392 CO -0.05 0.31 -0.59 0.00 0.02 0.00 0.00 177.57 177.26 1htt h ALA 393 N 0.85 0.38 -0.02 1.67 0.00 -0.31 -3.07 119.26 118.77 1htt h ALA 393 Ca 0.09 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1htt h ALA 393 Cb 0.43 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1htt h ALA 393 CO 0.02 0.62 0.00 0.09 0.00 0.00 0.00 179.25 179.98 1htt n ASN 394 N -4.04 0.31 -0.64 0.00 3.02 0.10 -4.91 115.26 109.11 1htt n ASN 394 Ca -0.06 -1.27 -0.08 0.00 -0.03 0.00 0.00 54.58 53.14 1htt n ASN 394 Cb 0.65 -0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.77 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 0.95 0.95 3.33 7.41 0.00 -0.56 -5.02 105.19 112.26 1htt n GLY 395 Ca 0.19 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 1htt n GLY 395 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1htt n THR 396 N -2.52 0.00 -3.73 2.61 -2.24 -0.31 -2.31 114.28 105.78 1htt n THR 396 Ca -0.08 -1.56 -0.13 0.00 -2.27 0.00 0.00 64.05 60.01 1htt n THR 396 Cb 0.39 -0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 67.82 1htt n THR 396 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1htt s ALA 397 N -2.75 -0.99 -0.03 6.98 0.00 -0.57 -4.47 121.76 119.93 1htt s ALA 397 Ca 0.53 1.20 -0.22 0.00 0.00 0.00 0.00 51.96 53.47 1htt s ALA 397 Cb -0.04 -0.71 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 1htt s ALA 397 CO 0.34 -0.20 0.66 0.08 0.00 0.00 0.00 175.76 176.64 1htt s VAL 398 N 0.47 4.95 -0.26 0.00 1.01 -0.92 -1.49 120.40 124.15 1htt s VAL 398 Ca -0.02 1.37 -0.07 0.00 0.00 0.00 0.00 61.98 63.26 1htt s VAL 398 Cb -0.04 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1htt s VAL 398 CO -0.02 0.34 0.06 -0.69 0.00 0.00 0.00 175.10 174.79 1htt s VAL 399 N 0.26 4.05 -0.23 2.92 1.01 0.48 -1.07 120.40 127.82 1htt s VAL 399 Ca 0.34 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 1htt s VAL 399 Cb -0.18 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.24 1htt s VAL 399 CO 0.18 0.24 -0.06 -0.75 0.00 0.00 0.00 175.10 174.71 1htt s LYS 400 N 1.55 3.10 -0.66 2.72 2.20 -0.25 -0.82 119.74 127.58 1htt s LYS 400 Ca 0.05 -0.80 -0.27 0.00 -0.36 0.00 0.00 55.97 54.58 1htt s LYS 400 Cb -0.16 -2.97 0.03 0.00 -1.51 0.00 0.00 37.83 33.23 1htt s LYS 400 CO 0.02 -0.29 1.21 0.34 -0.36 0.00 0.00 175.35 176.26 1htt s ASP 401 N 1.40 6.29 0.52 1.43 -1.08 -0.06 -1.42 116.67 123.74 1htt s ASP 401 Ca 0.03 -0.25 0.19 0.00 -0.52 0.00 0.00 52.55 52.00 1htt s ASP 401 Cb -0.15 -2.54 1.33 0.00 -1.46 0.00 0.00 42.92 40.09 1htt s ASP 401 CO -0.05 -1.64 2.13 -0.07 0.52 0.00 0.00 175.17 176.07 1htt h LEU 402 N 12.36 0.00 -1.56 -1.34 3.38 -1.21 0.63 115.31 127.57 1htt h LEU 402 Ca -0.27 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1htt h LEU 402 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1htt h LEU 402 CO 1.23 0.05 -0.23 0.03 0.09 0.00 0.00 178.44 179.61 1htt h ARG 403 N 0.00 0.00 0.00 1.13 3.08 -1.89 -3.33 114.38 113.37 1htt h ARG 403 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1htt h ARG 403 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1htt h ARG 403 CO 0.01 0.23 0.00 -1.13 -1.07 0.00 0.00 179.97 178.01 1htt n SER 404 N -4.15 0.17 0.00 7.04 3.41 -0.57 -5.03 113.62 114.48 1htt n SER 404 Ca -0.02 -0.50 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 1htt n SER 404 Cb 0.29 0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 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 0.31 3.11 3.53 5.00 0.00 0.21 -4.99 105.19 112.36 1htt n GLY 405 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1htt n GLY 405 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1htt n GLU 406 N -2.00 1.45 -4.73 1.61 0.28 -1.24 -4.50 120.64 111.51 1htt n GLU 406 Ca 0.00 0.35 -0.33 0.00 -0.16 0.00 0.00 57.16 57.03 1htt n GLU 406 Cb 0.00 -2.93 -0.16 0.00 1.43 0.00 0.00 31.44 29.77 1htt n GLU 406 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 1htt s GLN 407 N 6.67 3.08 0.16 3.44 -2.07 -1.26 -0.89 119.66 128.80 1htt s GLN 407 Ca 1.05 -0.83 0.11 0.00 -1.82 0.00 0.00 55.36 53.87 1htt s GLN 407 Cb -0.53 -2.46 -0.04 0.00 -1.09 0.00 0.00 33.01 28.89 1htt s GLN 407 CO 0.39 0.03 -0.25 0.95 -1.32 0.00 0.00 175.29 175.10 1htt s THR 408 N 0.72 2.34 -0.07 3.63 -4.23 0.00 -4.90 115.64 113.13 1htt s THR 408 Ca -0.09 -1.88 -0.20 0.00 -1.18 0.00 0.00 61.69 58.35 1htt s THR 408 Cb -0.16 -2.08 -0.04 0.00 1.34 0.00 0.00 72.50 71.56 1htt s THR 408 CO 0.01 -0.01 0.55 0.00 -0.54 0.00 0.00 174.62 174.62 1htt s ALA 409 N -1.36 3.46 0.10 3.99 0.00 -1.26 -0.38 121.76 126.30 1htt s ALA 409 Ca 0.17 -0.07 0.09 0.00 0.00 0.00 0.00 51.96 52.15 1htt s ALA 409 Cb -0.09 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 1htt s ALA 409 CO 0.08 0.05 -0.22 0.08 0.00 0.00 0.00 175.76 175.75 1htt s VAL 410 N 0.36 1.83 0.49 0.00 1.01 -0.56 -4.96 120.40 118.58 1htt s VAL 410 Ca 0.29 -1.55 -0.22 0.00 0.00 0.00 0.00 61.98 60.50 1htt s VAL 410 Cb -0.16 -1.64 -0.06 0.00 0.00 0.00 0.00 36.38 34.51 1htt s VAL 410 CO 0.14 0.01 1.24 0.00 0.00 0.00 0.00 175.10 176.48 1htt s ALA 411 N -1.10 2.91 0.56 5.51 0.00 -1.26 -1.51 121.76 126.87 1htt s ALA 411 Ca 0.08 1.09 0.25 0.00 0.00 0.00 0.00 51.96 53.38 1htt s ALA 411 Cb -0.10 -3.45 1.63 0.00 0.00 0.00 0.00 23.12 21.20 1htt s ALA 411 CO 0.04 -0.93 2.21 1.96 0.00 0.00 0.00 175.76 179.04 1htt h GLN 412 N 1.82 0.00 0.00 0.00 4.20 -1.73 0.74 115.11 120.14 1htt h GLN 412 Ca -0.50 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.20 1htt h GLN 412 Cb 1.27 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.05 1htt h GLN 412 CO 0.59 0.01 -0.06 -0.44 -0.67 0.00 0.00 178.83 178.26 1htt h ASP 413 N 0.00 0.00 -0.07 1.46 3.32 -1.90 -3.02 116.42 116.21 1htt h ASP 413 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1htt h ASP 413 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1htt h ASP 413 CO 0.00 0.06 0.00 -1.20 -1.72 0.00 0.00 179.24 176.38 1htt n SER 414 N -3.13 2.62 -0.13 6.45 7.64 0.19 -4.63 113.62 122.62 1htt n SER 414 Ca 0.02 -1.79 -0.10 0.00 1.01 0.00 0.00 58.87 58.02 1htt n SER 414 Cb 0.46 -0.03 -0.01 0.00 -1.01 0.00 0.00 64.21 63.61 1htt n SER 414 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1htt h VAL 415 N 3.61 1.22 -0.23 0.44 -1.51 -1.25 -2.79 116.25 115.74 1htt h VAL 415 Ca 0.00 -0.75 0.06 0.00 -1.23 0.00 0.00 66.70 64.78 1htt h VAL 415 Cb 0.78 0.97 -0.07 0.00 -2.13 0.00 0.00 31.29 30.85 1htt h VAL 415 CO 0.00 0.26 -0.25 0.00 -1.23 0.00 0.00 177.57 176.35 1htt h ALA 416 N 0.95 -0.16 -0.72 5.19 0.00 -1.82 0.37 119.26 123.07 1htt h ALA 416 Ca 0.12 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1htt h ALA 416 Cb 0.29 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1htt h ALA 416 CO -0.00 -0.68 0.47 0.00 0.00 0.00 0.00 179.25 179.04 1htt h ALA 417 N 0.75 1.73 -0.28 0.00 0.00 -1.87 0.11 119.26 119.71 1htt h ALA 417 Ca 0.13 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1htt h ALA 417 Cb 0.47 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1htt h ALA 417 CO -0.39 0.15 -0.27 1.25 0.00 0.00 0.00 179.25 179.99 1htt h HIS 418 N 0.72 0.64 -0.24 0.00 6.17 -0.11 -2.13 115.15 120.20 1htt h HIS 418 Ca 0.31 -0.15 -0.12 0.00 0.71 0.00 0.00 60.37 61.13 1htt h HIS 418 Cb 0.30 -0.15 -0.00 0.00 2.52 0.00 0.00 27.41 30.07 1htt h HIS 418 CO -0.00 0.78 -0.32 -0.07 0.71 0.00 0.00 177.93 179.03 1htt h LEU 419 N 0.49 0.70 -0.78 0.26 3.38 0.15 -2.41 115.31 117.11 1htt h LEU 419 Ca 0.07 -0.50 0.15 0.00 0.09 0.00 0.00 57.88 57.69 1htt h LEU 419 Cb 0.72 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 41.17 1htt h LEU 419 CO 0.06 1.07 0.31 0.03 0.09 0.00 0.00 178.44 180.00 1htt h ARG 420 N 0.36 0.43 -0.14 1.13 3.08 -0.76 0.18 114.38 118.66 1htt h ARG 420 Ca 0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1htt h ARG 420 Cb 0.90 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1htt h ARG 420 CO 0.08 0.28 0.06 1.15 -1.07 0.00 0.00 179.97 180.47 1htt h THR 421 N 0.44 1.13 0.00 2.04 2.02 -1.34 -2.03 112.91 115.16 1htt h THR 421 Ca 0.44 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 1htt h THR 421 Cb 0.69 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1htt h THR 421 CO -0.43 0.12 -0.27 -0.07 0.37 0.00 0.00 175.52 175.24 1htt h LEU 422 N 0.08 0.00 0.00 2.58 3.38 -0.22 -3.34 115.31 117.79 1htt h LEU 422 Ca 0.05 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.71 1htt h LEU 422 Cb 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1htt h LEU 422 CO -0.01 0.27 -1.78 0.18 0.09 0.00 0.00 178.44 177.20 1htt n LEU 423 N -3.49 1.91 0.00 1.67 4.77 0.05 -5.08 117.00 116.82 1htt n LEU 423 Ca -0.00 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1htt n LEU 423 Cb 0.44 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1htt n LEU 423 CO 0.34 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.33