#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hot s ARG 2 N 0.00 2.66 -0.10 2.12 0.52 -0.50 -5.03 118.95 118.63 1hot s ARG 2 Ca 0.00 -0.68 -0.01 0.00 -0.52 0.00 0.00 55.73 54.52 1hot s ARG 2 Cb 0.00 -2.59 0.03 0.00 0.52 0.00 0.00 34.95 32.91 1hot s ARG 2 CO 0.00 0.61 -0.02 -1.17 0.02 0.00 0.00 175.30 174.74 1hot s LEU 3 N -1.56 0.86 -0.52 2.53 0.20 -1.26 -0.80 118.68 118.12 1hot s LEU 3 Ca 0.19 -0.25 -0.19 0.00 0.69 0.00 0.00 54.13 54.58 1hot s LEU 3 Cb -0.11 -0.59 0.07 0.00 -0.43 0.00 0.00 46.19 45.13 1hot s LEU 3 CO 0.10 -0.19 0.61 -0.63 -0.29 0.00 0.00 176.35 175.95 1hot s ILE 4 N 1.87 4.92 -0.57 6.68 -1.09 0.16 -4.84 121.20 128.33 1hot s ILE 4 Ca 0.04 -0.69 -0.25 0.00 -2.23 0.00 0.00 60.65 57.53 1hot s ILE 4 Cb -0.13 -4.32 0.04 0.00 -1.58 0.00 0.00 42.46 36.48 1hot s ILE 4 CO -0.06 -0.84 1.00 -2.16 -1.23 0.00 0.00 174.94 171.64 1hot s PRO 5 N 2.49 3.34 0.48 2.79 0.04 -1.26 -1.03 135.00 141.85 1hot s PRO 5 Ca 0.13 -0.23 0.06 0.00 0.04 0.00 0.00 61.00 61.00 1hot s PRO 5 Cb -0.21 -4.07 -0.01 0.00 0.04 0.00 0.00 34.50 30.26 1hot s PRO 5 CO 0.10 -1.57 0.27 -0.51 0.04 0.00 0.00 177.00 175.33 1hot s LEU 6 N 4.19 2.87 -0.24 -3.56 1.43 0.94 -4.99 118.68 119.32 1hot s LEU 6 Ca 0.32 -1.19 -0.08 0.00 -1.03 0.00 0.00 54.13 52.15 1hot s LEU 6 Cb -0.12 -1.31 -0.17 0.00 0.03 0.00 0.00 46.19 44.62 1hot s LEU 6 CO 0.19 -0.82 -0.13 0.41 0.23 0.00 0.00 176.35 176.24 1hot n THR 7 N -1.48 1.55 -4.32 5.49 -1.04 -1.26 -1.54 114.28 111.68 1hot n THR 7 Ca -0.03 -0.44 -0.26 0.00 -2.04 0.00 0.00 64.05 61.28 1hot n THR 7 Cb 0.64 -1.72 -0.09 0.00 -1.82 0.00 0.00 70.33 67.34 1hot n THR 7 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1hot s THR 8 N -2.50 3.08 0.26 12.58 2.01 -1.26 -1.58 115.64 128.23 1hot s THR 8 Ca -0.34 -1.83 -0.04 0.00 0.31 0.00 0.00 61.69 59.79 1hot s THR 8 Cb 0.10 -2.56 0.20 0.00 0.01 0.00 0.00 72.50 70.25 1hot s THR 8 CO 0.58 -0.20 1.86 0.00 -0.69 0.00 0.00 174.62 176.18 1hot h ALA 9 N 2.66 1.22 -0.89 7.40 0.00 -1.95 -1.00 119.26 126.69 1hot h ALA 9 Ca -0.45 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.35 1hot h ALA 9 Cb 1.22 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1hot h ALA 9 CO 0.55 0.60 0.57 1.49 0.00 0.00 0.00 179.25 182.47 1hot h GLU 10 N 1.09 1.06 -0.31 0.00 4.81 -1.96 0.39 114.58 119.66 1hot h GLU 10 Ca 0.27 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 1hot h GLU 10 Cb 0.09 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1hot h GLU 10 CO -0.04 0.70 -0.06 1.96 -0.73 0.00 0.00 179.01 180.85 1hot h GLN 11 N 1.09 0.59 -0.29 1.92 4.20 -1.83 -0.77 115.11 120.02 1hot h GLN 11 Ca 0.37 -0.22 0.05 0.00 0.06 0.00 0.00 58.65 58.91 1hot h GLN 11 Cb 0.05 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 1hot h GLN 11 CO -0.13 0.77 0.01 0.28 -0.67 0.00 0.00 178.83 179.08 1hot h VAL 12 N 0.37 0.80 -0.53 -0.54 2.07 -0.67 0.28 116.25 118.02 1hot h VAL 12 Ca 0.08 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 1hot h VAL 12 Cb 0.54 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1hot h VAL 12 CO 0.03 0.02 0.32 1.23 0.02 0.00 0.00 177.57 179.18 1hot h GLY 13 N 0.10 0.78 1.00 2.17 0.00 -0.80 0.17 103.07 106.48 1hot h GLY 13 Ca 0.14 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 1hot h GLY 13 CO -0.23 0.32 0.20 0.50 0.00 0.00 0.00 176.54 177.33 1hot h LYS 14 N 0.72 0.91 0.58 4.80 1.57 -0.65 0.91 116.57 125.41 1hot h LYS 14 Ca 0.19 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1hot h LYS 14 Cb -0.00 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.18 1hot h LYS 14 CO -0.03 0.80 -0.28 2.35 -0.57 0.00 0.00 179.45 181.72 1hot h TRP 15 N 0.83 -0.73 -0.47 -1.35 7.01 -0.14 -2.07 115.95 119.03 1hot h TRP 15 Ca 0.19 -0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.25 1hot h TRP 15 Cb 0.26 0.24 -0.06 0.00 -2.10 0.00 0.00 29.16 27.50 1hot h TRP 15 CO 0.02 -0.39 0.11 0.00 -2.79 0.00 0.00 178.44 175.38 1hot h ALA 16 N -0.76 0.53 -0.90 2.65 0.00 -0.62 -0.99 119.26 119.18 1hot h ALA 16 Ca -0.08 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1hot h ALA 16 Cb 0.66 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1hot h ALA 16 CO 0.13 -0.29 0.51 0.00 0.00 0.00 0.00 179.25 179.60 1hot h ALA 17 N 1.35 1.15 -0.62 0.00 0.00 -0.83 -1.88 119.26 118.42 1hot h ALA 17 Ca 0.23 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1hot h ALA 17 Cb 0.29 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1hot h ALA 17 CO -0.29 0.64 0.13 -0.09 0.00 0.00 0.00 179.25 179.64 1hot h ARG 18 N 1.25 0.99 -0.15 0.00 2.43 -0.77 -2.06 114.38 116.07 1hot h ARG 18 Ca 0.32 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1hot h ARG 18 Cb -0.00 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1hot h ARG 18 CO -0.05 0.89 0.09 1.25 -1.51 0.00 0.00 179.97 180.64 1hot h HIS 19 N 0.94 0.19 -0.04 2.20 2.76 -0.50 0.24 115.15 120.94 1hot h HIS 19 Ca 0.20 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.37 1hot h HIS 19 Cb 0.36 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 1hot h HIS 19 CO 0.02 0.15 -0.01 0.82 -1.30 0.00 0.00 177.93 177.62 1hot h ILE 20 N 0.18 0.97 -0.38 6.26 2.04 -1.21 -1.61 117.51 123.75 1hot h ILE 20 Ca 0.05 -0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1hot h ILE 20 Cb 0.01 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 1hot h ILE 20 CO -0.01 0.00 0.15 0.58 0.00 0.00 0.00 178.15 178.88 1hot h VAL 21 N 0.01 0.92 -0.30 1.67 2.07 -1.20 -0.61 116.25 118.81 1hot h VAL 21 Ca 0.02 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.46 1hot h VAL 21 Cb 0.03 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1hot h VAL 21 CO -0.04 0.06 0.11 0.78 0.02 0.00 0.00 177.57 178.50 1hot h ASN 22 N 0.32 0.12 -0.38 0.57 -0.26 -0.78 0.04 115.58 115.22 1hot h ASN 22 Ca 0.17 0.03 -0.00 0.00 -0.56 0.00 0.00 56.30 55.94 1hot h ASN 22 Cb 0.12 0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.38 1hot h ASN 22 CO -0.15 0.11 0.24 0.03 -1.06 0.00 0.00 177.43 176.59 1hot h ARG 23 N 0.24 0.51 0.68 0.81 2.47 -0.91 -0.56 114.38 117.62 1hot h ARG 23 Ca 0.13 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.78 1hot h ARG 23 Cb 0.10 -0.11 0.01 0.00 -1.65 0.00 0.00 29.97 28.32 1hot h ARG 23 CO -0.14 0.37 -0.33 0.82 0.56 0.00 0.00 179.97 181.26 1hot h ILE 24 N 0.50 0.32 -0.85 2.04 2.04 -0.87 -0.90 117.51 119.80 1hot h ILE 24 Ca 0.14 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 66.05 1hot h ILE 24 Cb -0.01 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 36.34 1hot h ILE 24 CO -0.03 0.00 0.55 0.78 0.00 0.00 0.00 178.15 179.46 1hot h ASN 25 N -0.94 0.76 -0.17 1.72 2.35 -0.90 -0.02 115.58 118.39 1hot h ASN 25 Ca -0.09 0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.56 1hot h ASN 25 Cb 0.71 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1hot h ASN 25 CO 0.15 0.46 -0.27 0.00 -1.65 0.00 0.00 177.43 176.13 1hot h ALA 26 N 1.57 0.94 -0.38 -0.83 0.00 -0.96 -3.03 119.26 116.57 1hot h ALA 26 Ca 0.39 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1hot h ALA 26 Cb 0.37 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1hot h ALA 26 CO -0.15 0.61 -0.23 0.35 0.00 0.00 0.00 179.25 179.83 1hot h PHE 27 N 0.55 0.86 -5.06 0.00 3.57 0.41 -3.48 116.94 113.78 1hot h PHE 27 Ca 0.07 -0.20 -0.16 0.00 3.53 0.00 0.00 57.97 61.22 1hot h PHE 27 Cb 0.75 -0.20 0.12 0.00 2.79 0.00 0.00 35.95 39.41 1hot h PHE 27 CO 0.03 0.91 -0.54 1.63 -2.23 0.00 0.00 178.31 178.12 1hot n LYS 28 N -4.11 -1.70 -1.77 1.11 4.76 -0.47 -4.96 118.16 111.03 1hot n LYS 28 Ca 0.00 0.90 -0.37 0.00 -2.87 0.00 0.00 58.31 55.98 1hot n LYS 28 Cb 0.43 -5.17 0.07 0.00 -1.84 0.00 0.00 35.03 28.52 1hot n LYS 28 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1hot s PRO 29 N -3.86 2.59 0.31 1.97 0.04 -1.26 -5.01 135.00 129.77 1hot s PRO 29 Ca 0.29 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.44 1hot s PRO 29 Cb -0.04 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 1hot s PRO 29 CO 0.63 -1.57 0.27 0.25 0.04 0.00 0.00 177.00 176.63 1hot n THR 30 N -1.88 0.00 -0.18 1.26 -2.24 0.03 -4.91 114.28 106.36 1hot n THR 30 Ca 0.16 -2.22 -0.06 0.00 -2.27 0.00 0.00 64.05 59.66 1hot n THR 30 Cb 0.48 1.12 0.11 0.00 -2.10 0.00 0.00 70.33 69.94 1hot n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hot h ALA 31 N 1.99 1.04 0.13 6.98 0.00 -1.94 -3.03 119.26 124.43 1hot h ALA 31 Ca -0.22 -0.25 -0.28 0.00 0.00 0.00 0.00 54.91 54.16 1hot h ALA 31 Cb 1.11 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.68 1hot h ALA 31 CO 0.32 0.62 -1.24 -0.44 0.00 0.00 0.00 179.25 178.50 1hot h ASP 32 N 0.91 0.50 -3.85 0.00 3.32 -1.99 -3.39 116.42 111.91 1hot h ASP 32 Ca 0.18 -0.52 -0.64 0.00 0.02 0.00 0.00 57.03 56.08 1hot h ASP 32 Cb 0.41 -0.16 -0.41 0.00 0.22 0.00 0.00 39.33 39.39 1hot h ASP 32 CO 0.01 1.39 -0.59 -0.13 -1.72 0.00 0.00 179.24 178.21 1hot s ARG 33 N -2.71 2.22 0.68 3.56 1.81 -1.18 -5.09 118.95 118.23 1hot s ARG 33 Ca -0.05 -2.92 -0.10 0.00 -1.72 0.00 0.00 55.73 50.93 1hot s ARG 33 Cb 0.07 -3.39 0.01 0.00 -0.45 0.00 0.00 34.95 31.19 1hot s ARG 33 CO 0.89 -1.18 1.06 -1.25 -0.68 0.00 0.00 175.30 174.13 1hot s PRO 34 N -0.77 2.87 -0.13 3.54 0.04 -1.15 -0.79 135.00 138.61 1hot s PRO 34 Ca 0.20 0.36 -0.15 0.00 0.04 0.00 0.00 61.00 61.46 1hot s PRO 34 Cb -0.17 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 1hot s PRO 34 CO -0.07 -0.96 0.36 0.12 0.04 0.00 0.00 177.00 176.49 1hot s PHE 35 N -3.28 3.50 -0.21 0.56 5.36 -0.85 -4.90 117.98 118.16 1hot s PHE 35 Ca 0.57 0.72 -0.09 0.00 -0.96 0.00 0.00 56.93 57.17 1hot s PHE 35 Cb -0.11 -2.40 -0.04 0.00 -0.34 0.00 0.00 43.02 40.13 1hot s PHE 35 CO 0.50 0.25 0.11 0.08 -1.46 0.00 0.00 175.22 174.70 1hot s VAL 36 N 0.38 5.02 -0.09 3.12 1.01 -1.26 -0.39 120.40 128.19 1hot s VAL 36 Ca 0.20 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.27 1hot s VAL 36 Cb -0.14 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1hot s VAL 36 CO 0.07 0.40 -0.23 -0.22 0.00 0.00 0.00 175.10 175.12 1hot s LEU 37 N 0.74 2.04 -0.10 3.92 0.20 0.56 -1.53 118.68 124.52 1hot s LEU 37 Ca 0.06 -0.53 -0.10 0.00 0.69 0.00 0.00 54.13 54.25 1hot s LEU 37 Cb -0.13 -1.35 -0.05 0.00 -0.43 0.00 0.00 46.19 44.24 1hot s LEU 37 CO 0.02 0.15 0.22 -0.83 -0.29 0.00 0.00 176.35 175.62 1hot s GLY 38 N 0.33 2.23 0.07 7.98 0.00 0.43 -0.48 107.32 117.88 1hot s GLY 38 Ca -0.17 -0.52 0.03 0.00 0.00 0.00 0.00 44.72 44.05 1hot s GLY 38 CO 0.08 -0.13 -0.09 1.08 0.00 0.00 0.00 173.10 174.04 1hot s LEU 39 N -0.78 2.33 0.49 0.66 1.43 0.38 -1.09 118.68 122.11 1hot s LEU 39 Ca 0.17 -0.69 0.06 0.00 -1.03 0.00 0.00 54.13 52.63 1hot s LEU 39 Cb -0.13 -0.22 0.00 0.00 0.03 0.00 0.00 46.19 45.88 1hot s LEU 39 CO 0.06 -0.25 0.29 -2.16 0.23 0.00 0.00 176.35 174.52 1hot s PRO 40 N -2.24 2.27 0.00 1.29 0.04 -1.22 -1.91 135.00 133.22 1hot s PRO 40 Ca -0.02 -1.98 0.00 0.00 0.04 0.00 0.00 61.00 59.04 1hot s PRO 40 Cb -0.06 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1hot s PRO 40 CO -0.00 -0.41 0.00 0.25 0.04 0.00 0.00 177.00 176.87 1hot n THR 41 N -1.54 0.00 0.00 1.26 -2.24 -1.26 -4.96 114.28 105.54 1hot n THR 41 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1hot n THR 41 Cb 0.64 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1hot n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hot n GLY 42 N 3.33 0.50 0.12 3.38 0.00 -1.26 -4.66 105.19 106.61 1hot n GLY 42 Ca 0.00 -2.13 -0.00 0.00 0.00 0.00 0.00 46.02 43.89 1hot n GLY 42 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1hot h GLY 43 N 0.00 0.00 0.14 -0.02 0.00 -2.02 -3.38 103.07 97.79 1hot h GLY 43 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 1hot h GLY 43 CO 0.00 0.00 -0.19 -0.84 0.00 0.00 0.00 176.54 175.51 1hot h THR 44 N 0.00 0.46 -0.01 4.70 2.02 -1.96 -2.75 112.91 115.37 1hot h THR 44 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1hot h THR 44 Cb 1.47 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1hot h THR 44 CO 0.08 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.16 1hot n PRO 45 N -5.36 1.03 -0.08 6.66 -0.04 -1.26 -4.33 135.00 131.62 1hot n PRO 45 Ca 0.01 -0.05 -0.07 0.00 -0.04 0.00 0.00 63.50 63.35 1hot n PRO 45 Cb 0.27 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 1hot n PRO 45 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1hot h MET 46 N 0.09 0.15 -0.03 0.54 2.86 -1.72 -0.92 114.93 115.90 1hot h MET 46 Ca 0.00 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1hot h MET 46 Cb 0.02 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1hot h MET 46 CO 0.00 0.10 -0.17 1.79 1.06 0.00 0.00 176.91 179.68 1hot h THR 47 N 0.15 1.15 -0.16 2.22 1.35 -1.83 -1.99 112.91 113.80 1hot h THR 47 Ca 0.14 -0.68 -0.13 0.00 -0.55 0.00 0.00 66.41 65.20 1hot h THR 47 Cb 0.16 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1hot h THR 47 CO -0.20 0.20 -0.40 0.74 -0.25 0.00 0.00 175.52 175.61 1hot h THR 48 N 0.05 1.35 -0.59 6.82 2.02 -1.54 -1.52 112.91 119.50 1hot h THR 48 Ca 0.01 -1.66 -0.08 0.00 0.77 0.00 0.00 66.41 65.45 1hot h THR 48 Cb 0.34 1.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1hot h THR 48 CO 0.02 0.51 0.04 1.88 0.37 0.00 0.00 175.52 178.34 1hot h TYR 49 N 0.19 1.06 0.46 3.16 0.05 -1.07 -0.54 116.97 120.27 1hot h TYR 49 Ca -0.00 -0.16 -0.02 0.00 0.05 0.00 0.00 58.73 58.60 1hot h TYR 49 Cb 1.01 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 38.46 1hot h TYR 49 CO 0.10 0.92 -0.25 0.87 -1.05 0.00 0.00 178.16 178.75 1hot h LYS 50 N 0.92 -0.64 -0.41 4.88 1.57 -1.30 0.02 116.57 121.61 1hot h LYS 50 Ca 0.17 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.05 1hot h LYS 50 Cb 0.48 0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.89 1hot h LYS 50 CO 0.02 -0.43 0.15 0.00 -0.57 0.00 0.00 179.45 178.62 1hot h ALA 51 N -0.14 0.48 -0.90 3.86 0.00 -1.20 -1.15 119.26 120.22 1hot h ALA 51 Ca -0.06 0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1hot h ALA 51 Cb 0.53 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1hot h ALA 51 CO 0.08 -0.24 0.56 -0.07 0.00 0.00 0.00 179.25 179.57 1hot h LEU 52 N 0.31 0.86 -0.64 0.00 3.38 -0.81 -0.42 115.31 117.99 1hot h LEU 52 Ca 0.19 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 1hot h LEU 52 Cb 0.17 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1hot h LEU 52 CO -0.19 0.52 0.15 0.58 0.09 0.00 0.00 178.44 179.59 1hot h VAL 53 N 0.98 1.26 -0.07 1.22 2.07 -0.29 -1.64 116.25 119.78 1hot h VAL 53 Ca 0.41 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 67.00 1hot h VAL 53 Cb 0.26 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1hot h VAL 53 CO -0.20 0.36 -0.05 -0.33 0.02 0.00 0.00 177.57 177.37 1hot h GLU 54 N 0.96 -0.05 -0.79 1.57 5.08 0.07 -1.08 114.58 120.33 1hot h GLU 54 Ca 0.20 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1hot h GLU 54 Cb 0.37 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1hot h GLU 54 CO 0.00 -0.04 0.40 0.52 -1.00 0.00 0.00 179.01 178.90 1hot h MET 55 N -0.06 1.12 0.05 2.33 2.86 -0.96 -1.33 114.93 118.94 1hot h MET 55 Ca 0.05 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1hot h MET 55 Cb 0.12 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.57 1hot h MET 55 CO -0.11 0.84 -0.02 1.25 1.06 0.00 0.00 176.91 179.94 1hot h HIS 56 N 1.12 -0.06 -0.72 -0.22 -0.00 -0.99 0.26 115.15 114.53 1hot h HIS 56 Ca 0.28 -0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.72 1hot h HIS 56 Cb 0.08 0.02 -0.05 0.00 -0.00 0.00 0.00 27.41 27.46 1hot h HIS 56 CO 0.01 0.24 0.47 0.87 -0.00 0.00 0.00 177.93 179.53 1hot h LYS 57 N -0.37 0.66 0.00 5.26 1.57 -1.02 0.41 116.57 123.08 1hot h LYS 57 Ca -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1hot h LYS 57 Cb 0.33 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1hot h LYS 57 CO 0.01 0.44 0.00 0.00 -0.57 0.00 0.00 179.45 179.33 1hot n ALA 58 N -2.46 2.39 -1.31 3.86 0.00 -0.52 -4.86 120.51 117.61 1hot n ALA 58 Ca 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 1hot n ALA 58 Cb 0.28 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 1hot n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hot n GLY 59 N 0.49 0.52 0.09 0.00 0.00 0.14 -4.95 105.19 101.48 1hot n GLY 59 Ca 0.16 -0.91 -0.02 0.00 0.00 0.00 0.00 46.02 45.25 1hot n GLY 59 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1hot h GLN 60 N 0.00 0.00 -3.55 1.61 4.20 -0.60 -3.48 115.11 113.28 1hot h GLN 60 Ca -0.06 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 1hot h GLN 60 Cb 0.39 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 27.99 1hot h GLN 60 CO 0.08 0.46 -0.39 0.14 -0.67 0.00 0.00 178.83 178.46 1hot s VAL 61 N -2.83 0.11 -0.01 -0.54 -7.23 -1.24 -4.96 120.40 103.70 1hot s VAL 61 Ca -0.02 -0.89 0.03 0.00 -1.81 0.00 0.00 61.98 59.30 1hot s VAL 61 Cb 0.08 -0.91 -0.01 0.00 0.56 0.00 0.00 36.38 36.11 1hot s VAL 61 CO 0.80 -0.49 -0.10 -0.55 -0.31 0.00 0.00 175.10 174.46 1hot s SER 62 N -2.08 1.15 -0.06 4.85 0.15 -1.26 -4.43 113.70 112.02 1hot s SER 62 Ca -0.05 -0.18 0.18 0.00 0.70 0.00 0.00 55.95 56.60 1hot s SER 62 Cb -0.01 -0.14 0.59 0.00 -1.71 0.00 0.00 66.02 64.75 1hot s SER 62 CO -0.04 0.11 1.51 0.49 1.20 0.00 0.00 173.24 176.51 1hot n PHE 63 N 2.88 1.07 0.18 3.44 3.01 -1.26 -4.56 117.46 122.23 1hot n PHE 63 Ca -0.14 -0.58 0.17 0.00 1.01 0.00 0.00 57.45 57.92 1hot n PHE 63 Cb 0.56 -0.13 0.81 0.00 -0.01 0.00 0.00 39.48 40.71 1hot n PHE 63 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1hot h LYS 64 N 3.51 0.00 -0.52 -1.08 1.63 -1.96 -2.22 116.57 115.94 1hot h LYS 64 Ca 0.00 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.43 1hot h LYS 64 Cb 1.16 0.00 -0.38 0.00 -0.60 0.00 0.00 32.23 32.41 1hot h LYS 64 CO 0.11 0.00 -0.91 0.72 -3.45 0.00 0.00 179.45 175.93 1hot n HIS 65 N -3.86 1.80 -4.64 1.91 8.25 -1.26 -4.75 115.22 112.67 1hot n HIS 65 Ca 0.03 -2.01 -0.33 0.00 -0.26 0.00 0.00 57.72 55.15 1hot n HIS 65 Cb 0.36 -0.28 -0.16 0.00 1.12 0.00 0.00 29.99 31.03 1hot n HIS 65 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1hot s VAL 66 N -3.90 2.20 -0.14 1.59 1.01 -0.83 -2.01 120.40 118.32 1hot s VAL 66 Ca 0.40 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 1hot s VAL 66 Cb 0.37 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 1hot s VAL 66 CO -0.01 0.54 0.17 -0.69 0.00 0.00 0.00 175.10 175.11 1hot s VAL 67 N 0.82 5.42 0.12 2.92 1.01 0.47 -4.82 120.40 126.34 1hot s VAL 67 Ca -0.07 0.28 0.10 0.00 0.00 0.00 0.00 61.98 62.29 1hot s VAL 67 Cb -0.15 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1hot s VAL 67 CO -0.02 0.54 -0.25 0.42 0.00 0.00 0.00 175.10 175.79 1hot s THR 68 N -0.44 2.07 -0.04 3.92 -4.23 -0.12 -0.32 115.64 116.48 1hot s THR 68 Ca 0.13 -1.66 0.01 0.00 -1.18 0.00 0.00 61.69 59.00 1hot s THR 68 Cb -0.12 -1.84 0.02 0.00 1.34 0.00 0.00 72.50 71.89 1hot s THR 68 CO 0.03 0.06 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.74 1hot s PHE 69 N -1.07 0.87 0.14 3.99 0.08 0.37 -1.56 117.98 120.79 1hot s PHE 69 Ca 0.11 -0.25 -0.05 0.00 0.12 0.00 0.00 56.93 56.86 1hot s PHE 69 Cb -0.10 -0.71 -0.06 0.00 -0.57 0.00 0.00 43.02 41.58 1hot s PHE 69 CO 0.05 -0.18 0.38 -0.80 -0.10 0.00 0.00 175.22 174.57 1hot s ASN 70 N 0.73 6.51 0.14 1.36 -0.87 -1.02 -0.47 114.94 121.32 1hot s ASN 70 Ca -0.11 0.62 -0.16 0.00 -1.57 0.00 0.00 52.86 51.64 1hot s ASN 70 Cb -0.14 -2.10 0.00 0.00 -0.02 0.00 0.00 41.25 39.00 1hot s ASN 70 CO 0.01 0.06 1.73 0.24 -2.57 0.00 0.00 177.10 176.57 1hot h MET 71 N 2.93 0.58 0.00 -0.60 2.86 -1.76 -3.44 114.93 115.50 1hot h MET 71 Ca -0.46 -0.08 -0.16 0.00 -2.06 0.00 0.00 59.70 56.94 1hot h MET 71 Cb 1.17 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.69 1hot h MET 71 CO 0.72 0.49 0.05 -0.40 1.06 0.00 0.00 176.91 178.83 1hot n ASP 72 N -4.70 -1.75 -3.61 1.22 5.68 -1.26 -0.24 116.55 111.90 1hot n ASP 72 Ca 0.00 -2.69 -0.12 0.00 -0.50 0.00 0.00 54.79 51.48 1hot n ASP 72 Cb 0.10 3.05 -0.07 0.00 -1.14 0.00 0.00 41.12 43.06 1hot n ASP 72 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1hot s GLU 73 N -2.45 0.72 0.44 0.11 2.56 -0.48 -4.73 118.70 114.88 1hot s GLU 73 Ca 0.22 0.62 -0.24 0.00 0.00 0.00 0.00 54.97 55.57 1hot s GLU 73 Cb -0.03 0.35 -0.08 0.00 2.00 0.00 0.00 34.13 36.37 1hot s GLU 73 CO 0.16 -0.13 1.18 0.71 -0.56 0.00 0.00 175.26 176.61 1hot s TYR 74 N -0.14 2.91 -0.10 5.30 2.02 -1.26 -0.55 117.35 125.53 1hot s TYR 74 Ca -0.01 1.53 -0.14 0.00 -0.37 0.00 0.00 57.07 58.08 1hot s TYR 74 Cb -0.04 -3.40 -0.05 0.00 -0.40 0.00 0.00 41.96 38.07 1hot s TYR 74 CO -0.00 -1.51 0.35 0.08 -1.57 0.00 0.00 175.55 172.90 1hot s VAL 75 N -1.50 5.22 0.00 0.71 1.01 -1.09 -4.26 120.40 120.50 1hot s VAL 75 Ca 0.62 0.69 0.00 0.00 0.00 0.00 0.00 61.98 63.29 1hot s VAL 75 Cb -0.30 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1hot s VAL 75 CO 0.37 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.53 1hot n GLY 76 N 2.79 2.60 3.73 4.51 0.00 -0.49 -4.79 105.19 113.54 1hot n GLY 76 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 1hot n GLY 76 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hot s LEU 77 N 0.00 4.45 0.37 0.99 0.20 -1.26 -5.00 118.68 118.42 1hot s LEU 77 Ca 0.00 1.55 -0.27 0.00 0.69 0.00 0.00 54.13 56.09 1hot s LEU 77 Cb 0.00 -3.36 -0.10 0.00 -0.43 0.00 0.00 46.19 42.31 1hot s LEU 77 CO 0.00 -0.05 1.34 -2.84 -0.29 0.00 0.00 176.35 174.51 1hot s PRO 78 N 0.13 4.13 0.22 0.98 0.02 -1.26 -4.81 135.00 134.41 1hot s PRO 78 Ca 0.42 2.26 -0.12 0.00 0.02 0.00 0.00 61.00 63.58 1hot s PRO 78 Cb -0.21 -2.90 0.29 0.00 0.02 0.00 0.00 34.50 31.69 1hot s PRO 78 CO 0.25 -0.40 1.62 -0.22 -0.33 0.00 0.00 177.00 177.92 1hot h LYS 79 N 2.98 0.01 0.00 5.54 3.64 -1.98 0.35 116.57 127.11 1hot h LYS 79 Ca -0.50 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1hot h LYS 79 Cb 1.24 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1hot h LYS 79 CO 0.64 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 178.21 1hot n GLU 80 N -5.46 0.74 -2.04 1.90 -0.58 -1.26 -4.17 120.64 109.78 1hot n GLU 80 Ca 0.09 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.42 1hot n GLU 80 Cb 0.37 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 29.74 1hot n GLU 80 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1hot s HIS 81 N -2.00 3.06 0.58 -0.32 2.46 0.11 -4.87 115.29 114.31 1hot s HIS 81 Ca 0.34 1.01 0.29 0.00 0.47 0.00 0.00 55.06 57.17 1hot s HIS 81 Cb 0.16 -3.80 1.48 0.00 -0.13 0.00 0.00 32.58 30.29 1hot s HIS 81 CO 0.26 -2.62 1.91 -1.00 -2.47 0.00 0.00 174.74 170.82 1hot h PRO 82 N 5.33 0.00 -0.03 2.88 0.13 -1.88 -1.12 132.00 137.32 1hot h PRO 82 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1hot h PRO 82 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1hot h PRO 82 CO 0.79 0.00 -0.12 0.39 -0.23 0.00 0.00 178.00 178.84 1hot n GLU 83 N -3.85 1.98 -1.96 0.86 -0.58 -1.26 -4.29 120.64 111.55 1hot n GLU 83 Ca 0.09 -1.61 -0.38 0.00 -0.42 0.00 0.00 57.16 54.84 1hot n GLU 83 Cb 0.68 -1.47 0.02 0.00 -0.57 0.00 0.00 31.44 30.10 1hot n GLU 83 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1hot s SER 84 N -2.12 5.76 0.63 1.62 1.04 -0.42 -4.82 113.70 115.39 1hot s SER 84 Ca 0.26 2.65 0.39 0.00 0.48 0.00 0.00 55.95 59.73 1hot s SER 84 Cb 0.20 -2.63 2.12 0.00 0.10 0.00 0.00 66.02 65.81 1hot s SER 84 CO 0.37 -1.22 2.29 1.88 0.98 0.00 0.00 173.24 177.53 1hot h TYR 85 N 1.94 0.00 -0.23 5.02 0.05 -1.90 -0.39 116.97 121.46 1hot h TYR 85 Ca -0.50 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.25 1hot h TYR 85 Cb 1.27 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.00 1hot h TYR 85 CO 0.50 0.01 0.03 -0.92 -1.05 0.00 0.00 178.16 176.72 1hot h TYR 86 N 0.00 0.41 -0.28 4.88 5.03 -1.89 -1.58 116.97 123.56 1hot h TYR 86 Ca -0.00 -0.06 -0.05 0.00 2.58 0.00 0.00 58.73 61.19 1hot h TYR 86 Cb 0.08 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.24 1hot h TYR 86 CO 0.00 0.53 -0.04 0.77 -1.32 0.00 0.00 178.16 178.10 1hot h SER 87 N 0.18 0.51 -0.23 -2.11 0.02 -1.26 -2.63 113.55 108.03 1hot h SER 87 Ca 0.07 -0.34 0.06 0.00 -0.84 0.00 0.00 61.79 60.73 1hot h SER 87 Cb 0.35 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.69 1hot h SER 87 CO 0.01 0.73 -0.15 0.15 -1.14 0.00 0.00 176.83 176.43 1hot h PHE 88 N 0.28 -0.38 -0.54 3.45 3.04 -1.27 0.15 116.94 121.67 1hot h PHE 88 Ca 0.07 0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.08 1hot h PHE 88 Cb 0.50 0.21 -0.04 0.00 2.56 0.00 0.00 35.95 39.17 1hot h PHE 88 CO 0.05 -0.22 0.32 0.52 -2.02 0.00 0.00 178.31 176.95 1hot h MET 89 N -0.14 0.60 0.07 1.11 2.86 -1.24 0.04 114.93 118.23 1hot h MET 89 Ca 0.13 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1hot h MET 89 Cb 0.34 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1hot h MET 89 CO -0.32 0.40 -0.03 0.45 1.06 0.00 0.00 176.91 178.47 1hot h HIS 90 N 0.62 -0.08 -0.68 -0.22 3.86 -1.10 0.26 115.15 117.81 1hot h HIS 90 Ca 0.22 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.53 1hot h HIS 90 Cb 0.04 0.03 -0.08 0.00 1.06 0.00 0.00 27.41 28.46 1hot h HIS 90 CO -0.07 0.40 0.29 -0.09 0.86 0.00 0.00 177.93 179.32 1hot h ARG 91 N -0.61 0.47 0.00 2.45 9.65 -0.66 -1.19 114.38 124.50 1hot h ARG 91 Ca -0.01 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1hot h ARG 91 Cb 0.52 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 1hot h ARG 91 CO 0.02 0.31 -1.19 0.09 2.80 0.00 0.00 179.97 182.00 1hot n ASN 92 N -4.95 0.58 0.02 -3.80 3.02 -0.01 -4.76 115.26 105.36 1hot n ASN 92 Ca 0.11 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1hot n ASN 92 Cb 0.30 0.89 0.00 0.00 -0.61 0.00 0.00 39.78 40.36 1hot n ASN 92 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1hot n PHE 93 N -2.25 -0.26 -0.30 3.10 7.35 0.81 -4.76 117.46 121.15 1hot n PHE 93 Ca 0.00 0.05 0.10 0.00 -0.76 0.00 0.00 57.45 56.84 1hot n PHE 93 Cb 0.50 0.42 0.27 0.00 0.35 0.00 0.00 39.48 41.01 1hot n PHE 93 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1hot h PHE 94 N 0.00 0.68 0.00 -5.13 0.04 -1.35 -0.24 116.94 110.95 1hot h PHE 94 Ca 0.00 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1hot h PHE 94 Cb 0.00 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 37.98 1hot h PHE 94 CO 0.00 0.05 0.15 -0.44 -0.60 0.00 0.00 178.31 177.47 1hot h ASP 95 N 0.49 0.00 -0.01 2.17 3.32 -1.45 -2.33 116.42 118.60 1hot h ASP 95 Ca 0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.56 1hot h ASP 95 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1hot h ASP 95 CO -0.46 0.00 -0.18 1.41 -1.72 0.00 0.00 179.24 178.29 1hot n HIS 96 N -2.86 0.00 -4.34 4.55 8.25 -0.11 -5.03 115.22 115.69 1hot n HIS 96 Ca -0.02 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.19 1hot n HIS 96 Cb 0.21 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.23 1hot n HIS 96 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1hot s VAL 97 N -1.27 2.60 -0.29 1.59 -7.23 -0.88 -4.89 120.40 110.03 1hot s VAL 97 Ca 0.08 -1.96 -0.01 0.00 -1.81 0.00 0.00 61.98 58.28 1hot s VAL 97 Cb 0.07 -2.81 0.17 0.00 0.56 0.00 0.00 36.38 34.37 1hot s VAL 97 CO 0.23 -0.19 2.11 -0.90 -0.31 0.00 0.00 175.10 176.04 1hot n ASP 98 N -0.97 6.33 -4.65 4.85 5.75 -1.26 -4.92 116.55 121.68 1hot n ASP 98 Ca -0.04 -3.00 -0.40 0.00 -0.01 0.00 0.00 54.79 51.34 1hot n ASP 98 Cb 0.63 -1.09 -0.06 0.00 -1.03 0.00 0.00 41.12 39.57 1hot n ASP 98 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 1hot s ILE 99 N -1.99 5.00 0.49 2.12 2.07 -1.26 -3.52 121.20 124.10 1hot s ILE 99 Ca 0.30 1.21 -0.23 0.00 -1.41 0.00 0.00 60.65 60.53 1hot s ILE 99 Cb 0.23 -3.96 -0.07 0.00 0.13 0.00 0.00 42.46 38.80 1hot s ILE 99 CO -0.02 0.08 1.25 -2.16 -1.91 0.00 0.00 174.94 172.18 1hot s PRO 100 N 2.11 3.54 0.39 3.50 0.04 -1.26 -4.91 135.00 138.41 1hot s PRO 100 Ca 0.29 1.98 0.14 0.00 0.04 0.00 0.00 61.00 63.45 1hot s PRO 100 Cb -0.16 -2.38 0.97 0.00 0.04 0.00 0.00 34.50 32.97 1hot s PRO 100 CO 0.10 -0.79 1.86 0.00 0.04 0.00 0.00 177.00 178.21 1hot h ALA 101 N 1.88 2.04 -0.94 8.56 0.00 -1.96 -1.28 119.26 127.56 1hot h ALA 101 Ca -0.50 0.02 0.14 0.00 0.00 0.00 0.00 54.91 54.58 1hot h ALA 101 Cb 1.27 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 1hot h ALA 101 CO 0.59 -0.31 0.60 0.93 0.00 0.00 0.00 179.25 181.06 1hot h GLU 102 N 0.52 0.76 0.00 0.00 5.08 -2.01 -2.00 114.58 116.94 1hot h GLU 102 Ca 0.46 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1hot h GLU 102 Cb 0.98 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1hot h GLU 102 CO -0.20 0.51 0.00 0.09 -1.00 0.00 0.00 179.01 178.41 1hot n ASN 103 N -4.60 0.00 -4.67 1.42 4.13 -0.48 -4.81 115.26 106.25 1hot n ASN 103 Ca 0.19 0.07 -0.39 0.00 1.68 0.00 0.00 54.58 56.13 1hot n ASN 103 Cb 0.45 -0.35 -0.07 0.00 -1.54 0.00 0.00 39.78 38.27 1hot n ASN 103 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1hot s ILE 104 N -2.71 5.16 -0.19 2.41 1.01 -0.76 -0.94 121.20 125.19 1hot s ILE 104 Ca 0.23 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.71 1hot s ILE 104 Cb 0.19 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.92 1hot s ILE 104 CO 0.46 0.23 -0.09 0.20 0.00 0.00 0.00 174.94 175.74 1hot s ASN 105 N 1.07 3.18 0.08 3.58 0.01 -0.60 -4.97 114.94 117.28 1hot s ASN 105 Ca 0.22 -0.80 0.07 0.00 -0.71 0.00 0.00 52.86 51.64 1hot s ASN 105 Cb -0.15 -1.13 -0.03 0.00 0.41 0.00 0.00 41.25 40.35 1hot s ASN 105 CO 0.09 -0.15 -0.18 -0.76 -1.51 0.00 0.00 177.10 174.58 1hot s LEU 106 N 1.47 2.26 0.10 0.60 1.43 -1.26 -2.43 118.68 120.85 1hot s LEU 106 Ca -0.00 -0.61 -0.30 0.00 -1.03 0.00 0.00 54.13 52.18 1hot s LEU 106 Cb -0.16 -0.76 -0.06 0.00 0.03 0.00 0.00 46.19 45.24 1hot s LEU 106 CO -0.08 0.03 1.10 -0.76 0.23 0.00 0.00 176.35 176.87 1hot s LEU 107 N -1.66 4.43 -0.74 1.79 1.43 -1.26 -4.98 118.68 117.69 1hot s LEU 107 Ca 0.04 1.97 -0.22 0.00 -1.03 0.00 0.00 54.13 54.89 1hot s LEU 107 Cb -0.10 -3.59 0.09 0.00 0.03 0.00 0.00 46.19 42.62 1hot s LEU 107 CO 0.03 -0.30 1.02 0.21 0.23 0.00 0.00 176.35 177.54 1hot s ASN 108 N 0.50 6.30 0.00 2.29 3.04 -1.26 -4.76 114.94 121.05 1hot s ASN 108 Ca 0.53 -1.28 0.18 0.00 0.04 0.00 0.00 52.86 52.33 1hot s ASN 108 Cb -0.27 -2.42 1.07 0.00 -1.54 0.00 0.00 41.25 38.09 1hot s ASN 108 CO 0.31 -1.35 1.52 0.61 -3.04 0.00 0.00 177.10 175.15 1hot n GLY 109 N 5.43 -0.72 0.65 1.21 0.00 -1.26 -2.83 105.19 107.67 1hot n GLY 109 Ca 0.05 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.01 1hot n GLY 109 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hot n ASN 110 N -0.89 1.66 -4.81 1.61 3.02 -1.26 -1.39 115.26 113.20 1hot n ASN 110 Ca 0.13 -3.53 -0.34 0.00 -0.03 0.00 0.00 54.58 50.81 1hot n ASN 110 Cb 0.06 -0.48 -0.06 0.00 -0.61 0.00 0.00 39.78 38.69 1hot n ASN 110 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hot s ALA 111 N -2.72 3.02 0.28 5.41 0.00 -1.13 -4.96 121.76 121.66 1hot s ALA 111 Ca 0.36 0.49 -0.00 0.00 0.00 0.00 0.00 51.96 52.81 1hot s ALA 111 Cb 0.36 -3.19 0.41 0.00 0.00 0.00 0.00 23.12 20.70 1hot s ALA 111 CO -0.07 -0.01 1.80 -1.00 0.00 0.00 0.00 175.76 176.49 1hot h PRO 112 N 2.01 0.73 -3.43 0.00 0.13 -1.97 -3.36 132.00 126.12 1hot h PRO 112 Ca -0.49 -0.18 -0.64 0.00 -0.87 0.00 0.00 66.00 63.83 1hot h PRO 112 Cb 1.19 -0.10 -0.41 0.00 0.13 0.00 0.00 31.00 31.82 1hot h PRO 112 CO 0.61 0.73 -0.66 0.34 -0.23 0.00 0.00 178.00 178.79 1hot s ASP 113 N -6.65 4.23 0.39 1.44 2.15 -1.26 -4.96 116.67 112.02 1hot s ASP 113 Ca -0.09 -2.86 0.15 0.00 0.43 0.00 0.00 52.55 50.18 1hot s ASP 113 Cb 0.15 -1.53 1.00 0.00 -0.30 0.00 0.00 42.92 42.25 1hot s ASP 113 CO 0.80 -0.25 1.84 0.40 -0.17 0.00 0.00 175.17 177.79 1hot h ILE 114 N 5.56 0.69 -0.56 4.11 1.08 -1.95 -0.35 117.51 126.09 1hot h ILE 114 Ca -0.07 -0.17 -0.07 0.00 -0.39 0.00 0.00 64.86 64.17 1hot h ILE 114 Cb 0.91 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 34.80 1hot h ILE 114 CO 0.64 0.09 0.08 -0.78 -0.69 0.00 0.00 178.15 177.49 1hot h ASP 115 N 0.49 0.90 -0.06 1.72 1.82 -1.96 -2.55 116.42 116.79 1hot h ASP 115 Ca 0.49 -0.27 -0.13 0.00 -0.39 0.00 0.00 57.03 56.73 1hot h ASP 115 Cb 1.09 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.85 1hot h ASP 115 CO -0.21 0.94 -0.39 0.00 -1.61 0.00 0.00 179.24 177.97 1hot h ALA 116 N 1.00 0.86 0.80 -0.78 0.00 -1.53 -2.84 119.26 116.76 1hot h ALA 116 Ca 0.17 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1hot h ALA 116 Cb 0.43 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1hot h ALA 116 CO 0.01 0.64 -0.46 1.49 0.00 0.00 0.00 179.25 180.93 1hot h GLU 117 N 0.48 -1.13 -0.82 0.00 4.57 -1.06 -1.11 114.58 115.52 1hot h GLU 117 Ca 0.04 0.08 0.13 0.00 -1.18 0.00 0.00 59.36 58.43 1hot h GLU 117 Cb 0.88 0.26 -0.09 0.00 -0.16 0.00 0.00 28.75 29.64 1hot h GLU 117 CO 0.08 -0.75 0.42 0.00 -1.18 0.00 0.00 179.01 177.58 1hot h ARG 119 N 0.65 0.88 -0.19 0.00 2.43 -1.35 -2.29 114.38 114.50 1hot h ARG 119 Ca 0.43 -0.30 -0.09 0.00 -0.81 0.00 0.00 59.98 59.21 1hot h ARG 119 Cb 0.55 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1hot h ARG 119 CO -0.33 0.93 -0.27 1.96 -1.51 0.00 0.00 179.97 180.75 1hot h GLN 120 N 0.73 0.35 0.13 0.20 4.20 -0.60 -1.62 115.11 118.49 1hot h GLN 120 Ca 0.13 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1hot h GLN 120 Cb 0.56 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1hot h GLN 120 CO 0.03 0.60 -0.06 -0.92 -0.67 0.00 0.00 178.83 177.81 1hot h TYR 121 N 0.31 -0.16 -0.63 2.96 3.20 -0.91 0.18 116.97 121.92 1hot h TYR 121 Ca 0.05 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.95 1hot h TYR 121 Cb 0.65 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.94 1hot h TYR 121 CO 0.02 -0.04 0.41 0.93 -1.64 0.00 0.00 178.16 177.84 1hot h GLU 122 N -0.24 0.72 -0.57 1.82 4.39 -1.27 -1.39 114.58 118.04 1hot h GLU 122 Ca -0.02 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.56 1hot h GLU 122 Cb 0.19 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1hot h GLU 122 CO 0.03 0.47 0.04 0.93 -1.16 0.00 0.00 179.01 179.33 1hot h GLU 123 N 0.74 0.96 -0.14 2.33 5.08 -0.38 -2.39 114.58 120.77 1hot h GLU 123 Ca 0.25 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1hot h GLU 123 Cb 0.08 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1hot h GLU 123 CO -0.07 0.92 0.04 0.87 -1.00 0.00 0.00 179.01 179.77 1hot h LYS 124 N 0.89 0.10 -0.21 2.33 1.79 0.43 -0.12 116.57 121.78 1hot h LYS 124 Ca 0.17 -0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.66 1hot h LYS 124 Cb 0.46 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 1hot h LYS 124 CO 0.02 0.07 0.07 0.82 -1.08 0.00 0.00 179.45 179.34 1hot h ILE 125 N 0.11 0.94 -0.95 1.86 2.04 -1.30 -2.66 117.51 117.55 1hot h ILE 125 Ca 0.06 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1hot h ILE 125 Cb 0.04 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 1hot h ILE 125 CO -0.07 0.03 0.62 -0.09 0.00 0.00 0.00 178.15 178.64 1hot h ARG 126 N 0.16 1.16 -0.76 2.37 1.12 -1.14 0.14 114.38 117.43 1hot h ARG 126 Ca 0.09 -0.07 0.06 0.00 -1.11 0.00 0.00 59.98 58.96 1hot h ARG 126 Cb 0.06 -0.26 -0.06 0.00 -0.01 0.00 0.00 29.97 29.70 1hot h ARG 126 CO -0.10 0.77 0.45 0.66 -3.11 0.00 0.00 179.97 178.64 1hot h SER 127 N 1.20 0.69 1.15 -3.80 4.64 -0.68 0.24 113.55 116.99 1hot h SER 127 Ca 0.38 0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.65 1hot h SER 127 Cb 0.01 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1hot h SER 127 CO -0.12 0.44 -0.34 1.88 -0.87 0.00 0.00 176.83 177.81 1hot h TYR 128 N 0.82 0.00 0.00 4.77 0.05 -1.13 -3.48 116.97 117.99 1hot h TYR 128 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.12 1hot h TYR 128 Cb 0.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.93 1hot h TYR 128 CO -0.06 0.34 0.00 0.41 -1.05 0.00 0.00 178.16 177.81 1hot n GLY 129 N 0.58 2.80 3.52 3.88 0.00 0.83 -4.99 105.19 111.82 1hot n GLY 129 Ca 0.01 -0.71 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 1hot n GLY 129 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hot s LYS 130 N 0.00 0.87 -0.20 1.61 2.20 -1.25 -4.63 119.74 118.34 1hot s LYS 130 Ca 0.00 0.58 -0.23 0.00 -0.36 0.00 0.00 55.97 55.96 1hot s LYS 130 Cb 0.00 0.41 -0.02 0.00 -1.51 0.00 0.00 37.83 36.72 1hot s LYS 130 CO 0.00 -0.19 0.74 0.42 -0.36 0.00 0.00 175.35 175.96 1hot s ILE 131 N -0.36 4.93 0.14 5.43 1.01 -1.26 -4.57 121.20 126.52 1hot s ILE 131 Ca -0.05 1.42 0.01 0.00 0.00 0.00 0.00 60.65 62.03 1hot s ILE 131 Cb -0.03 -4.05 -0.18 0.00 0.01 0.00 0.00 42.46 38.21 1hot s ILE 131 CO 0.05 0.04 1.32 0.45 0.00 0.00 0.00 174.94 176.80 1hot h HIS 132 N 7.48 0.34 -2.77 3.97 3.86 -1.63 -0.15 115.15 126.25 1hot h HIS 132 Ca -0.29 -0.20 -0.16 0.00 -1.16 0.00 0.00 60.37 58.56 1hot h HIS 132 Cb 1.13 -0.03 -0.29 0.00 1.06 0.00 0.00 27.41 29.28 1hot h HIS 132 CO 0.72 1.05 -0.42 -1.17 0.86 0.00 0.00 177.93 178.98 1hot s LEU 133 N -7.36 -0.12 -0.23 2.43 2.96 -1.16 -2.34 118.68 112.86 1hot s LEU 133 Ca -0.03 0.74 -0.02 0.00 -0.22 0.00 0.00 54.13 54.60 1hot s LEU 133 Cb 0.09 1.03 0.01 0.00 0.50 0.00 0.00 46.19 47.83 1hot s LEU 133 CO 0.84 -0.20 -0.07 0.12 -1.32 0.00 0.00 176.35 175.72 1hot s PHE 134 N 1.85 3.00 -0.10 5.38 2.19 0.53 -0.43 117.98 130.40 1hot s PHE 134 Ca -0.05 -1.34 -0.06 0.00 0.33 0.00 0.00 56.93 55.81 1hot s PHE 134 Cb -0.10 -2.06 -0.04 0.00 -1.31 0.00 0.00 43.02 39.50 1hot s PHE 134 CO -0.11 -0.67 0.13 1.41 1.83 0.00 0.00 175.22 177.81 1hot s MET 135 N 1.38 3.39 0.28 10.12 -2.45 -0.25 -0.80 119.30 130.96 1hot s MET 135 Ca 0.03 -0.20 -0.20 0.00 -1.25 0.00 0.00 55.69 54.07 1hot s MET 135 Cb -0.15 -3.13 0.05 0.00 1.25 0.00 0.00 34.83 32.84 1hot s MET 135 CO -0.05 0.75 0.83 0.20 1.05 0.00 0.00 175.02 177.80 1hot s GLY 136 N -1.19 0.06 0.00 2.11 0.00 -0.57 -3.41 107.32 104.32 1hot s GLY 136 Ca 0.17 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.51 1hot s GLY 136 CO 0.07 0.16 0.00 0.61 0.00 0.00 0.00 173.10 173.93 1hot n GLY 137 N -0.51 4.09 2.88 0.20 0.00 -1.26 -1.16 105.19 109.42 1hot n GLY 137 Ca -0.06 -2.16 -0.15 0.00 0.00 0.00 0.00 46.02 43.65 1hot n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hot s VAL 138 N -0.15 0.19 0.89 1.61 0.11 -1.26 -4.55 120.40 117.24 1hot s VAL 138 Ca 0.00 -0.04 -0.12 0.00 -2.93 0.00 0.00 61.98 58.89 1hot s VAL 138 Cb 0.00 -0.21 0.12 0.00 -1.53 0.00 0.00 36.38 34.76 1hot s VAL 138 CO 0.00 0.09 1.14 -0.83 -3.33 0.00 0.00 175.10 172.17 1hot s GLY 139 N 0.34 1.58 0.46 6.54 0.00 0.14 -4.89 107.32 111.49 1hot s GLY 139 Ca -0.03 -0.50 0.14 0.00 0.00 0.00 0.00 44.72 44.33 1hot s GLY 139 CO -0.01 0.04 2.05 3.43 0.00 0.00 0.00 173.10 178.61 1hot h ASN 140 N -1.40 0.07 -0.67 1.64 2.35 -1.89 0.41 115.58 116.09 1hot h ASN 140 Ca -0.50 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.10 1hot h ASN 140 Cb 1.32 -0.02 -0.09 0.00 0.05 0.00 0.00 38.32 39.59 1hot h ASN 140 CO 0.62 0.16 0.18 -0.90 -1.65 0.00 0.00 177.43 175.84 1hot n ASP 141 N -4.41 5.01 -0.13 5.81 5.68 -1.26 -4.38 116.55 122.87 1hot n ASP 141 Ca -0.02 -3.08 -0.02 0.00 -0.50 0.00 0.00 54.79 51.17 1hot n ASP 141 Cb 0.17 -0.72 -0.01 0.00 -1.14 0.00 0.00 41.12 39.43 1hot n ASP 141 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1hot n GLY 142 N 0.11 0.45 3.76 6.12 0.00 0.14 -4.55 105.19 111.22 1hot n GLY 142 Ca 0.35 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 1hot n GLY 142 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1hot s HIS 143 N -1.74 3.55 -0.11 1.61 -3.43 -1.26 -1.35 115.29 112.55 1hot s HIS 143 Ca 0.00 1.68 -0.02 0.00 -0.80 0.00 0.00 55.06 55.92 1hot s HIS 143 Cb 0.00 -3.31 -0.03 0.00 -1.43 0.00 0.00 32.58 27.81 1hot s HIS 143 CO 0.00 -0.62 -0.02 -1.50 -2.00 0.00 0.00 174.74 170.60 1hot s ILE 144 N -1.16 4.09 0.00 -5.38 2.07 -1.25 -0.69 121.20 118.88 1hot s ILE 144 Ca 0.45 -0.31 0.00 0.00 -1.41 0.00 0.00 60.65 59.38 1hot s ILE 144 Cb -0.32 -2.75 0.00 0.00 0.13 0.00 0.00 42.46 39.52 1hot s ILE 144 CO 0.42 0.55 0.00 0.00 -1.91 0.00 0.00 174.94 174.00 1hot n ALA 145 N 2.75 0.00 -1.15 1.50 0.00 -1.26 -1.31 120.51 121.05 1hot n ALA 145 Ca -0.18 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.27 1hot n ALA 145 Cb 0.53 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.23 1hot n ALA 145 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1hot n PHE 146 N 14.00 1.33 -2.50 0.00 3.72 -1.26 -4.84 117.46 127.91 1hot n PHE 146 Ca 0.00 -1.18 -0.40 0.00 -0.05 0.00 0.00 57.45 55.82 1hot n PHE 146 Cb 0.00 -0.45 -0.01 0.00 -0.94 0.00 0.00 39.48 38.07 1hot n PHE 146 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1hot s ASN 147 N -1.93 6.50 1.04 4.37 0.01 -0.42 -4.90 114.94 119.61 1hot s ASN 147 Ca 0.46 -2.10 -0.12 0.00 -0.71 0.00 0.00 52.86 50.39 1hot s ASN 147 Cb 0.38 -2.58 0.21 0.00 0.41 0.00 0.00 41.25 39.68 1hot s ASN 147 CO 0.07 -1.52 1.08 -1.61 -1.51 0.00 0.00 177.10 173.61 1hot s GLU 148 N 4.74 0.05 0.22 -0.60 0.41 -1.26 -3.79 118.70 118.47 1hot s GLU 148 Ca 0.55 1.06 -0.31 0.00 -0.41 0.00 0.00 54.97 55.85 1hot s GLU 148 Cb 0.02 -1.65 -0.15 0.00 -1.78 0.00 0.00 34.13 30.58 1hot s GLU 148 CO 0.05 -3.14 1.19 -2.30 -0.49 0.00 0.00 175.26 170.57 1hot n PRO 149 N -4.53 1.44 -0.75 0.39 -0.02 -1.26 -1.68 135.00 128.58 1hot n PRO 149 Ca 0.06 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1hot n PRO 149 Cb 0.54 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1hot n PRO 149 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hot n ALA 150 N 1.29 0.00 -2.11 3.55 0.00 0.15 -4.93 120.51 118.47 1hot n ALA 150 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.26 1hot n ALA 150 Cb 0.28 -0.25 -0.04 0.00 0.00 0.00 0.00 19.45 19.44 1hot n ALA 150 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1hot s SER 151 N -2.51 6.61 0.27 0.00 0.01 -0.68 -5.02 113.70 112.38 1hot s SER 151 Ca 0.00 1.26 -0.29 0.00 1.31 0.00 0.00 55.95 58.22 1hot s SER 151 Cb 0.00 -2.37 -0.09 0.00 0.21 0.00 0.00 66.02 63.76 1hot s SER 151 CO 0.00 -0.38 1.12 -0.55 0.41 0.00 0.00 173.24 173.84 1hot s SER 152 N -2.91 7.22 0.00 2.44 0.15 -1.26 -4.74 113.70 114.60 1hot s SER 152 Ca 0.54 2.29 0.21 0.00 0.70 0.00 0.00 55.95 59.69 1hot s SER 152 Cb -0.10 -2.63 1.14 0.00 -1.71 0.00 0.00 66.02 62.72 1hot s SER 152 CO 0.27 -0.19 1.64 0.18 1.20 0.00 0.00 173.24 176.34 1hot n LEU 153 N 1.31 0.00 -0.13 3.45 4.77 -1.26 -1.68 117.00 123.45 1hot n LEU 153 Ca -0.00 0.15 0.07 0.00 -0.03 0.00 0.00 56.01 56.20 1hot n LEU 153 Cb 0.45 -0.15 0.11 0.00 -2.33 0.00 0.00 43.42 41.50 1hot n LEU 153 CO 0.55 -0.05 0.56 0.00 -1.33 0.00 0.00 177.39 177.12 1hot n ALA 154 N -1.15 2.25 -1.54 -1.18 0.00 -1.26 -4.00 120.51 113.63 1hot n ALA 154 Ca 0.13 -2.15 -0.33 0.00 0.00 0.00 0.00 53.44 51.08 1hot n ALA 154 Cb 0.12 -0.31 0.04 0.00 0.00 0.00 0.00 19.45 19.30 1hot n ALA 154 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1hot s SER 155 N -2.28 5.16 0.22 0.00 1.04 -0.68 -4.51 113.70 112.66 1hot s SER 155 Ca 0.24 2.02 0.01 0.00 0.48 0.00 0.00 55.95 58.71 1hot s SER 155 Cb 0.21 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.79 1hot s SER 155 CO 0.03 -1.59 0.11 0.54 0.98 0.00 0.00 173.24 173.30 1hot n ARG 156 N -2.31 1.28 -2.02 4.02 5.12 -1.26 -0.14 116.66 121.34 1hot n ARG 156 Ca 0.10 -1.45 -0.42 0.00 -1.93 0.00 0.00 57.85 54.15 1hot n ARG 156 Cb 0.52 0.24 -0.03 0.00 -1.16 0.00 0.00 32.46 32.03 1hot n ARG 156 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1hot s THR 157 N -1.34 3.11 0.32 0.55 2.01 -1.26 -3.06 115.64 115.97 1hot s THR 157 Ca 0.08 0.66 -0.19 0.00 0.31 0.00 0.00 61.69 62.56 1hot s THR 157 Cb -0.01 -3.43 0.05 0.00 0.01 0.00 0.00 72.50 69.12 1hot s THR 157 CO 0.05 0.02 0.80 0.00 -0.69 0.00 0.00 174.62 174.80 1hot s ARG 158 N 2.01 1.93 0.27 4.92 1.70 -0.60 -4.66 118.95 124.53 1hot s ARG 158 Ca 0.70 -1.18 -0.25 0.00 -0.47 0.00 0.00 55.73 54.52 1hot s ARG 158 Cb -0.39 0.58 -0.09 0.00 -0.57 0.00 0.00 34.95 34.48 1hot s ARG 158 CO 0.31 -0.90 0.88 -1.50 -1.08 0.00 0.00 175.30 173.01 1hot s ILE 159 N -2.92 4.27 0.04 4.99 2.07 -1.26 -1.47 121.20 126.92 1hot s ILE 159 Ca 0.14 1.75 0.01 0.00 -1.41 0.00 0.00 60.65 61.15 1hot s ILE 159 Cb -0.05 -4.05 -0.02 0.00 0.13 0.00 0.00 42.46 38.47 1hot s ILE 159 CO 0.09 0.26 -0.06 -0.75 -1.91 0.00 0.00 174.94 172.57 1hot s LYS 160 N -1.79 0.46 -0.23 3.50 2.47 0.62 -4.95 119.74 119.82 1hot s LYS 160 Ca 0.46 -0.74 -0.07 0.00 -1.56 0.00 0.00 55.97 54.06 1hot s LYS 160 Cb -0.20 -0.12 -0.03 0.00 -1.46 0.00 0.00 37.83 36.03 1hot s LYS 160 CO 0.25 0.00 0.05 0.99 0.16 0.00 0.00 175.35 176.80 1hot s THR 161 N -1.60 4.21 0.50 3.43 2.01 -1.26 -1.05 115.64 121.88 1hot s THR 161 Ca -0.11 -0.21 -0.22 0.00 0.31 0.00 0.00 61.69 61.47 1hot s THR 161 Cb -0.09 -2.95 -0.07 0.00 0.01 0.00 0.00 72.50 69.41 1hot s THR 161 CO -0.01 0.37 1.16 -0.76 -0.69 0.00 0.00 174.62 174.69 1hot s LEU 162 N 1.42 3.90 0.34 4.42 1.43 -0.10 -4.94 118.68 125.17 1hot s LEU 162 Ca 0.05 2.28 -0.27 0.00 -1.03 0.00 0.00 54.13 55.16 1hot s LEU 162 Cb -0.15 -4.37 -0.09 0.00 0.03 0.00 0.00 46.19 41.61 1hot s LEU 162 CO 0.03 -1.07 1.09 -0.89 0.23 0.00 0.00 176.35 175.74 1hot s THR 163 N -1.62 3.54 0.35 5.49 2.01 -1.26 -4.92 115.64 119.22 1hot s THR 163 Ca 0.68 1.36 0.09 0.00 0.31 0.00 0.00 61.69 64.13 1hot s THR 163 Cb -0.27 -3.79 0.33 0.00 0.01 0.00 0.00 72.50 68.77 1hot s THR 163 CO 0.32 0.18 1.83 -0.74 -0.69 0.00 0.00 174.62 175.53 1hot h HIS 164 N 3.13 0.86 -0.78 4.92 2.76 -1.99 0.08 115.15 124.13 1hot h HIS 164 Ca -0.48 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 57.70 1hot h HIS 164 Cb 1.22 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 29.87 1hot h HIS 164 CO 0.58 0.26 0.41 -0.44 -1.30 0.00 0.00 177.93 177.43 1hot h ASP 165 N 0.68 0.99 -0.57 3.26 3.32 -1.99 -1.13 116.42 120.98 1hot h ASP 165 Ca 0.50 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.39 1hot h ASP 165 Cb 0.87 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 1hot h ASP 165 CO -0.26 0.82 0.17 0.74 -1.72 0.00 0.00 179.24 178.99 1hot h THR 166 N 1.09 1.24 -0.82 0.35 2.02 -1.38 -0.75 112.91 114.66 1hot h THR 166 Ca 0.27 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 1hot h THR 166 Cb 0.07 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1hot h THR 166 CO -0.04 0.31 0.42 0.03 0.37 0.00 0.00 175.52 176.61 1hot h ARG 167 N 0.80 1.17 -0.65 6.66 3.08 -1.01 0.80 114.38 125.22 1hot h ARG 167 Ca 0.18 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1hot h ARG 167 Cb 0.30 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1hot h ARG 167 CO -0.00 0.88 0.24 0.28 -1.07 0.00 0.00 179.97 180.30 1hot h VAL 168 N 1.16 1.24 -0.61 2.04 2.07 -0.88 0.52 116.25 121.79 1hot h VAL 168 Ca 0.29 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1hot h VAL 168 Cb 0.07 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1hot h VAL 168 CO -0.04 0.31 0.33 0.00 0.02 0.00 0.00 177.57 178.18 1hot h ALA 169 N 1.10 0.79 -0.00 1.67 0.00 -0.08 -2.86 119.26 119.88 1hot h ALA 169 Ca 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1hot h ALA 169 Cb 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1hot h ALA 169 CO -0.01 0.32 -0.11 0.09 0.00 0.00 0.00 179.25 179.54 1hot n ASN 170 N -4.55 0.13 0.34 0.00 4.13 0.17 -3.79 115.26 111.69 1hot n ASN 170 Ca 0.04 0.24 0.23 0.00 1.68 0.00 0.00 54.58 56.76 1hot n ASN 170 Cb 0.10 -0.31 1.21 0.00 -1.54 0.00 0.00 39.78 39.24 1hot n ASN 170 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1hot h SER 171 N 0.03 0.00 -0.89 6.41 4.64 -0.66 -2.27 113.55 120.82 1hot h SER 171 Ca 0.00 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.48 1hot h SER 171 Cb 0.47 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.47 1hot h SER 171 CO 0.00 0.00 0.48 0.03 -0.87 0.00 0.00 176.83 176.47 1hot h ARG 172 N 0.00 0.63 -0.00 4.77 3.08 -1.75 0.72 114.38 121.83 1hot h ARG 172 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1hot h ARG 172 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.91 1hot h ARG 172 CO 0.00 0.42 -0.01 1.19 -1.07 0.00 0.00 179.97 180.50 1hot n PHE 173 N -4.85 0.00 -2.49 3.04 3.72 -0.85 -3.63 117.46 112.40 1hot n PHE 173 Ca 0.19 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.39 1hot n PHE 173 Cb 0.47 -0.02 0.02 0.00 -0.94 0.00 0.00 39.48 39.01 1hot n PHE 173 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1hot n PHE 174 N -0.69 2.51 -4.02 1.38 3.01 0.79 -4.91 117.46 115.53 1hot n PHE 174 Ca 0.22 -2.80 -0.33 0.00 1.01 0.00 0.00 57.45 55.55 1hot n PHE 174 Cb 0.19 -0.22 -0.01 0.00 -0.01 0.00 0.00 39.48 39.44 1hot n PHE 174 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1hot n ASP 175 N -0.41 -3.82 -2.07 4.37 8.00 -1.12 -1.42 116.55 120.07 1hot n ASP 175 Ca 0.29 -0.86 -0.14 0.00 0.71 0.00 0.00 54.79 54.79 1hot n ASP 175 Cb 0.77 -3.10 -0.02 0.00 -0.02 0.00 0.00 41.12 38.74 1hot n ASP 175 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1hot n ASN 176 N -2.65 -4.05 -4.28 -2.24 4.13 0.22 -4.93 115.26 101.46 1hot n ASN 176 Ca 0.06 0.22 -0.41 0.00 1.68 0.00 0.00 54.58 56.13 1hot n ASN 176 Cb 0.50 -3.53 -0.09 0.00 -1.54 0.00 0.00 39.78 35.12 1hot n ASN 176 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1hot s ASP 177 N -2.08 5.77 0.44 6.41 2.15 -0.51 -4.93 116.67 123.92 1hot s ASP 177 Ca 0.00 -1.60 0.17 0.00 0.43 0.00 0.00 52.55 51.55 1hot s ASP 177 Cb 0.00 -2.04 1.10 0.00 -0.30 0.00 0.00 42.92 41.68 1hot s ASP 177 CO 0.00 -0.62 1.92 0.58 -0.17 0.00 0.00 175.17 176.88 1hot h VAL 178 N 6.03 0.77 0.00 1.11 2.07 -1.88 0.16 116.25 124.51 1hot h VAL 178 Ca -0.24 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1hot h VAL 178 Cb 1.09 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1hot h VAL 178 CO 0.82 0.07 0.00 0.78 0.02 0.00 0.00 177.57 179.26 1hot h ASN 179 N 0.36 0.00 0.65 0.57 2.35 -1.95 -2.55 115.58 115.01 1hot h ASN 179 Ca 0.37 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.85 1hot h ASN 179 Cb 0.93 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.28 1hot h ASN 179 CO -0.11 0.00 -1.34 1.56 -1.65 0.00 0.00 177.43 175.89 1hot h GLN 180 N 0.00 0.15 -6.67 0.81 1.08 -0.99 -3.47 115.11 106.02 1hot h GLN 180 Ca 0.00 -0.26 -0.52 0.00 -1.45 0.00 0.00 58.65 56.42 1hot h GLN 180 Cb 0.15 0.10 0.03 0.00 -0.05 0.00 0.00 27.48 27.71 1hot h GLN 180 CO 0.00 1.03 0.63 0.08 -0.95 0.00 0.00 178.83 179.62 1hot s VAL 181 N -2.65 3.29 0.20 -0.54 1.01 -0.96 -4.99 120.40 115.76 1hot s VAL 181 Ca -0.05 1.06 -0.31 0.00 0.00 0.00 0.00 61.98 62.68 1hot s VAL 181 Cb 0.08 -3.68 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 1hot s VAL 181 CO 0.85 0.16 1.56 -2.84 0.00 0.00 0.00 175.10 174.82 1hot s PRO 182 N -0.09 4.21 0.54 2.72 0.02 -1.26 -4.93 135.00 136.21 1hot s PRO 182 Ca 0.56 2.39 0.32 0.00 0.02 0.00 0.00 61.00 64.30 1hot s PRO 182 Cb -0.36 -3.13 1.41 0.00 0.02 0.00 0.00 34.50 32.45 1hot s PRO 182 CO 0.38 -0.59 2.01 0.87 -0.33 0.00 0.00 177.00 179.34 1hot h LYS 183 N 6.27 0.00 -5.56 5.54 6.56 -1.94 -3.46 116.57 123.98 1hot h LYS 183 Ca -0.44 0.00 -0.49 0.00 -1.06 0.00 0.00 60.65 58.66 1hot h LYS 183 Cb 1.21 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 32.73 1hot h LYS 183 CO 0.88 0.06 -0.69 0.71 -2.06 0.00 0.00 179.45 178.35 1hot s TYR 184 N -3.78 1.93 -0.17 -1.35 2.02 -1.26 -0.92 117.35 113.82 1hot s TYR 184 Ca -0.00 -0.65 -0.28 0.00 -0.37 0.00 0.00 57.07 55.77 1hot s TYR 184 Cb 0.10 -1.05 0.09 0.00 -0.40 0.00 0.00 41.96 40.70 1hot s TYR 184 CO 0.55 0.33 0.80 0.00 -1.57 0.00 0.00 175.55 175.66 1hot s ALA 185 N -2.97 -1.83 0.07 3.71 0.00 -0.21 -2.67 121.76 117.85 1hot s ALA 185 Ca 0.28 1.67 -0.19 0.00 0.00 0.00 0.00 51.96 53.72 1hot s ALA 185 Cb 0.02 -0.71 -0.07 0.00 0.00 0.00 0.00 23.12 22.36 1hot s ALA 185 CO 0.11 -0.33 0.57 -0.51 0.00 0.00 0.00 175.76 175.61 1hot s LEU 186 N -0.46 4.52 0.02 0.00 1.43 0.29 -0.28 118.68 124.21 1hot s LEU 186 Ca -0.04 1.26 -0.15 0.00 -1.03 0.00 0.00 54.13 54.18 1hot s LEU 186 Cb -0.02 -2.90 0.02 0.00 0.03 0.00 0.00 46.19 43.32 1hot s LEU 186 CO 0.03 0.27 0.33 0.28 0.23 0.00 0.00 176.35 177.48 1hot s THR 187 N -1.07 0.07 0.48 5.49 -1.32 -0.54 -1.38 115.64 117.37 1hot s THR 187 Ca 0.29 -0.58 -0.20 0.00 -1.21 0.00 0.00 61.69 59.99 1hot s THR 187 Cb -0.20 -0.84 -0.09 0.00 -1.51 0.00 0.00 72.50 69.86 1hot s THR 187 CO 0.19 -0.32 1.03 0.68 -2.21 0.00 0.00 174.62 173.99 1hot s VAL 188 N -2.14 3.85 0.73 5.08 -7.23 0.67 -1.55 120.40 119.81 1hot s VAL 188 Ca -0.08 1.16 -0.03 0.00 -1.81 0.00 0.00 61.98 61.22 1hot s VAL 188 Cb -0.02 -3.47 0.12 0.00 0.56 0.00 0.00 36.38 33.56 1hot s VAL 188 CO -0.01 -0.24 1.01 -0.83 -0.31 0.00 0.00 175.10 174.73 1hot s GLY 189 N -1.99 1.76 0.33 2.32 0.00 -1.17 -4.67 107.32 103.90 1hot s GLY 189 Ca 0.66 -1.51 0.02 0.00 0.00 0.00 0.00 44.72 43.90 1hot s GLY 189 CO 0.19 -0.97 1.92 -2.08 0.00 0.00 0.00 173.10 172.16 1hot h VAL 190 N -0.62 1.19 -0.44 1.40 2.07 -1.73 -2.05 116.25 116.07 1hot h VAL 190 Ca -0.39 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 1hot h VAL 190 Cb 1.27 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1hot h VAL 190 CO 0.44 0.23 0.08 1.23 0.02 0.00 0.00 177.57 179.57 1hot h GLY 191 N 0.86 0.77 0.52 2.17 0.00 -0.67 0.87 103.07 107.59 1hot h GLY 191 Ca 0.17 -0.51 0.06 0.00 0.00 0.00 0.00 47.33 47.06 1hot h GLY 191 CO -0.02 0.47 0.12 -0.84 0.00 0.00 0.00 176.54 176.27 1hot h THR 192 N 0.58 0.81 -0.36 4.70 2.02 -1.44 -1.47 112.91 117.75 1hot h THR 192 Ca 0.13 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 1hot h THR 192 Cb 0.36 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1hot h THR 192 CO 0.01 0.05 0.18 -0.07 0.37 0.00 0.00 175.52 176.05 1hot h LEU 193 N 0.26 0.47 -2.07 2.58 3.38 -1.04 -2.46 115.31 116.44 1hot h LEU 193 Ca 0.21 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1hot h LEU 193 Cb 0.24 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1hot h LEU 193 CO -0.25 0.46 0.00 -0.07 0.09 0.00 0.00 178.44 178.67 1hot h LEU 194 N 0.45 0.00 -0.30 1.67 3.38 -0.33 -1.27 115.31 118.90 1hot h LEU 194 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1hot h LEU 194 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1hot h LEU 194 CO -0.02 0.00 0.00 0.44 0.09 0.00 0.00 178.44 178.95 1hot h ASP 195 N 0.00 0.00 -3.95 -0.43 3.32 -0.78 -3.45 116.42 111.13 1hot h ASP 195 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1hot h ASP 195 Cb 0.20 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.84 1hot h ASP 195 CO 0.00 0.00 0.66 0.00 -1.72 0.00 0.00 179.24 178.18 1hot s ALA 196 N -3.26 3.34 0.28 3.45 0.00 -0.48 -4.69 121.76 120.40 1hot s ALA 196 Ca 0.07 1.34 -0.01 0.00 0.00 0.00 0.00 51.96 53.36 1hot s ALA 196 Cb 0.08 -3.53 0.42 0.00 0.00 0.00 0.00 23.12 20.09 1hot s ALA 196 CO 0.60 -0.91 1.83 1.49 0.00 0.00 0.00 175.76 178.77 1hot h GLU 197 N 2.76 0.81 -3.21 0.00 4.81 -1.16 -3.43 114.58 115.15 1hot h GLU 197 Ca -0.50 -0.16 -0.17 0.00 -0.13 0.00 0.00 59.36 58.39 1hot h GLU 197 Cb 1.25 -0.12 -0.26 0.00 0.63 0.00 0.00 28.75 30.24 1hot h GLU 197 CO 0.63 0.73 -0.47 -2.00 -0.73 0.00 0.00 179.01 177.17 1hot s GLU 198 N -5.21 0.25 -0.13 1.92 2.12 -0.99 -4.51 118.70 112.15 1hot s GLU 198 Ca -0.10 0.30 0.02 0.00 0.36 0.00 0.00 54.97 55.55 1hot s GLU 198 Cb 0.16 0.11 0.01 0.00 0.26 0.00 0.00 34.13 34.67 1hot s GLU 198 CO 0.80 -0.03 -0.18 0.08 -0.54 0.00 0.00 175.26 175.38 1hot s VAL 199 N 0.15 1.76 -0.22 3.70 1.01 -0.42 -0.35 120.40 126.03 1hot s VAL 199 Ca -0.00 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1hot s VAL 199 Cb -0.02 -1.58 0.03 0.00 0.00 0.00 0.00 36.38 34.81 1hot s VAL 199 CO 0.00 0.49 -0.13 -0.32 0.00 0.00 0.00 175.10 175.14 1hot s MET 200 N 0.97 2.77 -0.18 2.72 0.00 0.01 -0.32 119.30 125.27 1hot s MET 200 Ca -0.05 -1.00 -0.06 0.00 0.00 0.00 0.00 55.69 54.58 1hot s MET 200 Cb -0.15 -2.78 -0.03 0.00 0.00 0.00 0.00 34.83 31.87 1hot s MET 200 CO -0.03 -0.35 0.01 0.42 0.00 0.00 0.00 175.02 175.07 1hot s ILE 201 N 1.26 4.27 -0.17 10.11 -1.09 0.20 -1.51 121.20 134.27 1hot s ILE 201 Ca 0.00 -0.22 -0.13 0.00 -2.23 0.00 0.00 60.65 58.08 1hot s ILE 201 Cb -0.16 -2.91 -0.05 0.00 -1.58 0.00 0.00 42.46 37.76 1hot s ILE 201 CO -0.08 0.46 0.25 -0.76 -1.23 0.00 0.00 174.94 173.58 1hot s LEU 202 N 0.54 4.24 -0.19 2.97 1.02 -0.30 -0.79 118.68 126.16 1hot s LEU 202 Ca 0.00 0.43 0.01 0.00 0.02 0.00 0.00 54.13 54.60 1hot s LEU 202 Cb -0.14 -2.30 0.03 0.00 0.02 0.00 0.00 46.19 43.81 1hot s LEU 202 CO 0.02 0.12 -0.15 -0.69 0.02 0.00 0.00 176.35 175.67 1hot s VAL 203 N 0.43 1.90 -0.06 -1.59 1.01 0.59 -4.14 120.40 118.53 1hot s VAL 203 Ca 0.14 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1hot s VAL 203 Cb -0.12 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.45 1hot s VAL 203 CO 0.02 0.36 -0.05 -0.76 0.00 0.00 0.00 175.10 174.67 1hot s LEU 204 N 1.32 1.21 0.00 3.92 1.43 -1.26 -2.33 118.68 122.97 1hot s LEU 204 Ca 0.01 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1hot s LEU 204 Cb -0.15 -0.56 0.00 0.00 0.03 0.00 0.00 46.19 45.51 1hot s LEU 204 CO -0.10 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.01 1hot n GLY 205 N 4.36 2.43 0.20 -3.19 0.00 -1.26 -4.62 105.19 103.11 1hot n GLY 205 Ca -0.19 -1.87 0.04 0.00 0.00 0.00 0.00 46.02 44.01 1hot n GLY 205 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1hot h SER 206 N 0.00 0.00 0.14 1.61 4.64 -1.96 -2.58 113.55 115.41 1hot h SER 206 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hot h SER 206 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1hot h SER 206 CO 0.00 0.30 -0.01 1.56 -0.87 0.00 0.00 176.83 177.82 1hot h GLN 207 N 0.00 0.00 -0.43 4.77 1.08 -1.90 -1.47 115.11 117.16 1hot h GLN 207 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1hot h GLN 207 Cb 0.56 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1hot h GLN 207 CO 0.04 0.01 0.00 1.63 -0.95 0.00 0.00 178.83 179.55 1hot n LYS 208 N -3.19 2.47 -0.27 1.46 4.01 -0.97 -4.57 118.16 117.10 1hot n LYS 208 Ca -0.03 -2.28 -0.05 0.00 -0.51 0.00 0.00 58.31 55.45 1hot n LYS 208 Cb 0.11 -1.48 0.09 0.00 -0.51 0.00 0.00 35.03 33.24 1hot n LYS 208 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1hot h ALA 209 N 4.09 1.10 -0.20 7.82 0.00 -1.36 -0.66 119.26 130.06 1hot h ALA 209 Ca 0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 1hot h ALA 209 Cb 0.94 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1hot h ALA 209 CO 0.00 0.65 -0.57 -0.07 0.00 0.00 0.00 179.25 179.26 1hot h LEU 210 N 1.13 0.68 -0.59 0.00 3.38 -1.80 -2.47 115.31 115.63 1hot h LEU 210 Ca 0.26 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1hot h LEU 210 Cb 0.19 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1hot h LEU 210 CO -0.02 1.10 0.06 0.00 0.09 0.00 0.00 178.44 179.67 1hot h ALA 211 N 0.91 0.79 -0.68 1.53 0.00 -1.69 -1.28 119.26 118.84 1hot h ALA 211 Ca 0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1hot h ALA 211 Cb 1.13 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1hot h ALA 211 CO 0.11 0.58 0.12 1.25 0.00 0.00 0.00 179.25 181.31 1hot h LEU 212 N 0.90 1.06 -0.62 0.00 7.12 -1.08 -1.17 115.31 121.52 1hot h LEU 212 Ca 0.17 -0.25 -0.10 0.00 0.13 0.00 0.00 57.88 57.84 1hot h LEU 212 Cb 0.47 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 40.30 1hot h LEU 212 CO 0.02 1.04 -0.04 -0.61 -0.13 0.00 0.00 178.44 178.72 1hot h GLN 213 N 1.04 1.04 -0.39 1.25 4.15 -1.13 -1.24 115.11 119.84 1hot h GLN 213 Ca 0.21 -0.35 -0.01 0.00 0.77 0.00 0.00 58.65 59.27 1hot h GLN 213 Cb 0.42 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 1hot h GLN 213 CO 0.01 1.04 0.20 0.00 -1.93 0.00 0.00 178.83 178.15 1hot h ALA 214 N 1.00 0.50 -0.17 3.38 0.00 -1.00 0.54 119.26 123.50 1hot h ALA 214 Ca 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1hot h ALA 214 Cb 0.60 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1hot h ALA 214 CO 0.04 0.04 0.06 0.00 0.00 0.00 0.00 179.25 179.39 1hot h ALA 215 N 1.05 0.23 0.09 0.00 0.00 -1.03 -1.03 119.26 118.57 1hot h ALA 215 Ca 0.13 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 1hot h ALA 215 Cb 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1hot h ALA 215 CO -0.02 -0.17 -1.03 0.28 0.00 0.00 0.00 179.25 178.31 1hot h VAL 216 N 0.11 1.26 0.00 0.00 2.07 -1.17 -3.41 116.25 115.11 1hot h VAL 216 Ca 0.06 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.17 1hot h VAL 216 Cb 0.20 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1hot h VAL 216 CO -0.00 0.65 -1.17 -0.62 0.02 0.00 0.00 177.57 176.45 1hot n GLU 217 N -4.13 1.05 -1.92 1.57 1.02 0.18 -5.01 120.64 113.40 1hot n GLU 217 Ca -0.21 -0.06 -0.26 0.00 -0.02 0.00 0.00 57.16 56.61 1hot n GLU 217 Cb 0.80 -1.35 0.18 0.00 -0.02 0.00 0.00 31.44 31.04 1hot n GLU 217 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hot n GLY 218 N 1.44 -1.04 3.97 0.62 0.00 -0.39 -4.97 105.19 104.82 1hot n GLY 218 Ca 0.01 -1.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.05 1hot n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hot s VAL 220 N -2.57 4.54 0.15 0.00 -7.23 -1.26 -4.88 120.40 109.15 1hot s VAL 220 Ca 0.53 1.99 -0.22 0.00 -1.81 0.00 0.00 61.98 62.47 1hot s VAL 220 Cb -0.10 -4.27 0.06 0.00 0.56 0.00 0.00 36.38 32.63 1hot s VAL 220 CO 0.37 0.25 0.56 0.54 -0.31 0.00 0.00 175.10 176.50 1hot s ASN 221 N 0.40 -0.50 0.00 4.85 2.20 -1.26 -5.06 114.94 115.57 1hot s ASN 221 Ca 0.50 -0.05 0.29 0.00 -0.94 0.00 0.00 52.86 52.65 1hot s ASN 221 Cb -0.23 0.57 1.20 0.00 -2.00 0.00 0.00 41.25 40.79 1hot s ASN 221 CO 0.30 -0.94 1.83 0.00 -2.94 0.00 0.00 177.10 175.35 1hot n HIS 222 N -0.32 0.00 0.08 1.54 1.44 -1.26 -3.80 115.22 112.90 1hot n HIS 222 Ca -0.17 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.44 1hot n HIS 222 Cb 0.65 -0.01 -0.06 0.00 0.12 0.00 0.00 29.99 30.69 1hot n HIS 222 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 1hot h MET 223 N 1.80 0.17 -3.11 -1.40 2.86 -1.91 0.44 114.93 113.78 1hot h MET 223 Ca 0.00 -0.23 -0.62 0.00 -2.06 0.00 0.00 59.70 56.79 1hot h MET 223 Cb 0.40 0.07 -0.42 0.00 0.06 0.00 0.00 31.60 31.72 1hot h MET 223 CO 0.00 1.02 -0.61 -1.58 1.06 0.00 0.00 176.91 176.80 1hot s TRP 224 N -2.99 3.33 0.65 -0.22 0.52 -1.25 -4.12 118.94 114.86 1hot s TRP 224 Ca -0.02 -3.23 0.36 0.00 0.02 0.00 0.00 56.10 53.22 1hot s TRP 224 Cb 0.09 -2.62 1.95 0.00 -1.15 0.00 0.00 33.47 31.75 1hot s TRP 224 CO 0.84 -0.61 2.13 1.79 0.02 0.00 0.00 176.95 181.12 1hot h THR 225 N 4.66 0.08 0.00 2.01 1.35 -1.71 0.58 112.91 119.89 1hot h THR 225 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.96 1hot h THR 225 Cb 0.79 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1hot h THR 225 CO 0.69 0.00 0.00 -0.29 -0.25 0.00 0.00 175.52 175.67 1hot h ILE 226 N 0.00 0.00 0.00 6.82 6.09 -1.54 -0.99 117.51 127.88 1hot h ILE 226 Ca 0.02 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.39 1hot h ILE 226 Cb 0.38 1.10 0.00 0.00 0.47 0.00 0.00 36.82 38.77 1hot h ILE 226 CO -0.00 0.00 0.00 0.77 -3.07 0.00 0.00 178.15 175.85 1hot h SER 227 N 0.00 0.00 0.10 2.19 4.64 -1.16 -2.67 113.55 116.65 1hot h SER 227 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hot h SER 227 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1hot h SER 227 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1hot n LEU 229 N -3.03 0.64 0.22 0.00 4.77 -1.01 -1.82 117.00 116.76 1hot n LEU 229 Ca -0.03 0.72 0.15 0.00 -0.03 0.00 0.00 56.01 56.82 1hot n LEU 229 Cb 0.09 -0.70 0.61 0.00 -2.33 0.00 0.00 43.42 41.10 1hot n LEU 229 CO 0.20 -0.75 0.94 1.56 -1.33 0.00 0.00 177.39 178.01 1hot h GLN 230 N 0.00 0.00 -0.03 3.23 4.20 -1.59 -2.11 115.11 118.81 1hot h GLN 230 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1hot h GLN 230 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1hot h GLN 230 CO 0.00 0.00 -0.12 1.28 -0.67 0.00 0.00 178.83 179.32 1hot n LEU 231 N -2.73 2.69 -4.78 1.46 4.77 -0.76 -4.95 117.00 112.70 1hot n LEU 231 Ca 0.01 -0.91 -0.38 0.00 -0.03 0.00 0.00 56.01 54.69 1hot n LEU 231 Cb 0.27 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.30 1hot n LEU 231 CO 0.24 0.46 0.19 -2.28 -1.33 0.00 0.00 177.39 174.67 1hot s HIS 232 N -2.12 3.66 -0.02 -1.77 2.46 -0.79 -4.99 115.29 111.71 1hot s HIS 232 Ca 0.26 1.04 0.26 0.00 0.47 0.00 0.00 55.06 57.10 1hot s HIS 232 Cb 0.20 -2.47 0.88 0.00 -0.13 0.00 0.00 32.58 31.05 1hot s HIS 232 CO 0.37 0.42 1.80 -1.00 -2.47 0.00 0.00 174.74 173.86 1hot h PRO 233 N 5.55 0.00 -2.43 2.88 0.13 -1.92 -3.39 132.00 132.81 1hot h PRO 233 Ca -0.46 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.07 1hot h PRO 233 Cb 1.20 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.95 1hot h PRO 233 CO 0.68 0.12 -0.94 0.21 -0.23 0.00 0.00 178.00 177.84 1hot s LYS 234 N -3.51 0.98 -0.03 0.86 2.20 -1.26 -4.95 119.74 114.04 1hot s LYS 234 Ca 0.02 -2.14 0.07 0.00 -0.36 0.00 0.00 55.97 53.57 1hot s LYS 234 Cb 0.08 -1.54 -0.02 0.00 -1.51 0.00 0.00 37.83 34.84 1hot s LYS 234 CO 0.62 -1.37 -0.25 0.00 -0.36 0.00 0.00 175.35 173.99 1hot s ALA 235 N 0.03 2.20 -0.03 3.13 0.00 -1.26 -1.30 121.76 124.54 1hot s ALA 235 Ca 0.31 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 51.21 1hot s ALA 235 Cb 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1hot s ALA 235 CO -0.18 0.50 -0.12 0.42 0.00 0.00 0.00 175.76 176.38 1hot s ILE 236 N -0.51 1.02 -0.18 0.00 1.01 0.56 -1.41 121.20 121.68 1hot s ILE 236 Ca 0.07 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.23 1hot s ILE 236 Cb -0.11 -0.89 0.01 0.00 0.01 0.00 0.00 42.46 41.49 1hot s ILE 236 CO 0.00 0.31 -0.17 -0.04 0.00 0.00 0.00 174.94 175.03 1hot s MET 237 N 0.14 3.06 -0.23 2.79 -1.94 0.02 -0.62 119.30 122.52 1hot s MET 237 Ca -0.03 -0.79 -0.06 0.00 -1.71 0.00 0.00 55.69 53.09 1hot s MET 237 Cb -0.10 -2.64 -0.03 0.00 2.01 0.00 0.00 34.83 34.08 1hot s MET 237 CO 0.01 -0.19 0.04 0.08 -0.01 0.00 0.00 175.02 174.95 1hot s VAL 238 N 1.28 4.11 0.15 -6.03 1.01 0.03 0.40 120.40 121.34 1hot s VAL 238 Ca 0.04 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 61.85 1hot s VAL 238 Cb -0.13 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1hot s VAL 238 CO -0.10 0.38 -0.17 0.00 0.00 0.00 0.00 175.10 175.21 1hot n ASP 240 N 0.39 1.82 0.26 0.00 5.75 -0.98 -0.04 116.55 123.75 1hot n ASP 240 Ca -0.14 -2.38 -0.16 0.00 -0.01 0.00 0.00 54.79 52.10 1hot n ASP 240 Cb 0.57 -0.50 -0.08 0.00 -1.03 0.00 0.00 41.12 40.08 1hot n ASP 240 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1hot h GLU 241 N 0.00 -0.60 0.00 0.11 4.81 -0.25 -3.20 114.58 115.45 1hot h GLU 241 Ca -0.29 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1hot h GLU 241 Cb 1.22 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.74 1hot h GLU 241 CO 0.37 -0.38 0.00 -1.00 -0.73 0.00 0.00 179.01 177.28 1hot h PRO 242 N -0.68 0.00 0.00 0.92 0.13 -1.89 -2.55 132.00 127.93 1hot h PRO 242 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1hot h PRO 242 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1hot h PRO 242 CO 0.11 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.54 1hot h SER 243 N 0.00 0.00 -0.36 1.44 4.64 -1.63 -3.13 113.55 114.51 1hot h SER 243 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hot h SER 243 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1hot h SER 243 CO 0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 1hot n THR 244 N -2.52 0.47 0.29 2.95 -2.24 -0.96 -4.22 114.28 108.06 1hot n THR 244 Ca 0.03 -0.63 0.18 0.00 -2.27 0.00 0.00 64.05 61.36 1hot n THR 244 Cb 0.34 0.67 0.88 0.00 -2.10 0.00 0.00 70.33 70.13 1hot n THR 244 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1hot h MET 245 N 3.57 0.00 -0.04 -0.78 2.86 -1.69 -2.58 114.93 116.28 1hot h MET 245 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1hot h MET 245 Cb 0.79 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.45 1hot h MET 245 CO 0.00 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.36 1hot n GLU 246 N -2.81 2.17 -1.81 1.72 -0.58 -1.26 -4.97 120.64 113.10 1hot n GLU 246 Ca -0.01 -1.87 -0.29 0.00 -0.42 0.00 0.00 57.16 54.57 1hot n GLU 246 Cb 0.13 -1.44 0.09 0.00 -0.57 0.00 0.00 31.44 29.65 1hot n GLU 246 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1hot s LEU 247 N -1.89 2.51 0.41 -4.62 1.43 -0.97 -4.89 118.68 110.67 1hot s LEU 247 Ca 0.27 0.93 -0.14 0.00 -1.03 0.00 0.00 54.13 54.16 1hot s LEU 247 Cb 0.19 -3.47 -0.08 0.00 0.03 0.00 0.00 46.19 42.87 1hot s LEU 247 CO 0.29 -1.90 0.83 -0.54 0.23 0.00 0.00 176.35 175.25 1hot s LYS 248 N -5.45 3.91 0.15 1.70 1.02 -1.26 -4.95 119.74 114.86 1hot s LYS 248 Ca 0.61 0.69 -0.17 0.00 0.02 0.00 0.00 55.97 57.12 1hot s LYS 248 Cb -0.12 -2.32 0.04 0.00 -0.52 0.00 0.00 37.83 34.91 1hot s LYS 248 CO 0.51 -0.04 1.73 0.28 -0.92 0.00 0.00 175.35 176.91 1hot h VAL 249 N 1.34 0.85 -0.93 3.17 2.07 -1.97 -1.80 116.25 118.99 1hot h VAL 249 Ca -0.47 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1hot h VAL 249 Cb 1.18 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 1hot h VAL 249 CO 0.63 0.03 0.61 0.07 0.02 0.00 0.00 177.57 178.94 1hot h LYS 250 N 0.17 1.20 0.17 1.57 2.10 -1.99 0.24 116.57 120.03 1hot h LYS 250 Ca 0.14 -0.07 -0.01 0.00 -2.00 0.00 0.00 60.65 58.71 1hot h LYS 250 Cb 0.15 -0.27 0.00 0.00 -0.90 0.00 0.00 32.23 31.21 1hot h LYS 250 CO -0.19 0.79 -0.09 1.15 -2.00 0.00 0.00 179.45 179.11 1hot h THR 251 N 1.23 0.82 -0.15 0.07 2.02 -1.74 -1.05 112.91 114.11 1hot h THR 251 Ca 0.35 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.43 1hot h THR 251 Cb -0.10 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1hot h THR 251 CO -0.09 0.00 -0.34 0.25 0.37 0.00 0.00 175.52 175.72 1hot h LEU 252 N -0.24 0.31 0.33 2.58 5.85 -1.03 -2.79 115.31 120.32 1hot h LEU 252 Ca -0.02 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1hot h LEU 252 Cb 0.19 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1hot h LEU 252 CO 0.03 0.64 -0.16 -0.09 -0.34 0.00 0.00 178.44 178.52 1hot h ARG 253 N 0.26 -0.42 -0.06 1.25 1.12 -0.71 -0.47 114.38 115.35 1hot h ARG 253 Ca 0.03 0.03 0.04 0.00 -1.11 0.00 0.00 59.98 58.97 1hot h ARG 253 Cb 0.73 0.10 -0.06 0.00 -0.01 0.00 0.00 29.97 30.72 1hot h ARG 253 CO 0.06 -0.27 -0.42 -0.92 -3.11 0.00 0.00 179.97 175.31 1hot h TYR 254 N -0.45 -1.19 -0.82 2.20 3.20 -1.02 -2.11 116.97 116.77 1hot h TYR 254 Ca -0.04 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1hot h TYR 254 Cb 0.35 0.53 -0.04 0.00 1.54 0.00 0.00 36.73 39.10 1hot h TYR 254 CO -0.05 -0.48 0.53 0.74 -1.64 0.00 0.00 178.16 177.25 1hot h PHE 255 N -0.53 1.05 -0.44 -3.82 0.04 -1.43 -2.28 116.94 109.53 1hot h PHE 255 Ca 0.06 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.87 1hot h PHE 255 Cb 0.64 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.40 1hot h PHE 255 CO -0.45 0.68 0.24 -0.91 -0.60 0.00 0.00 178.31 177.27 1hot h ASN 256 N 1.12 0.37 0.67 2.17 2.35 -0.44 -0.68 115.58 121.14 1hot h ASN 256 Ca 0.30 0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.93 1hot h ASN 256 Cb -0.10 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1hot h ASN 256 CO -0.06 0.26 -0.64 1.05 -1.65 0.00 0.00 177.43 176.39 1hot h GLU 257 N 0.48 0.00 -0.25 0.81 4.11 -1.17 -0.20 114.58 118.36 1hot h GLU 257 Ca 0.18 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.57 1hot h GLU 257 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1hot h GLU 257 CO -0.11 0.64 0.01 -0.07 0.07 0.00 0.00 179.01 179.55 1hot h LEU 258 N 0.00 0.43 -0.90 3.06 3.38 -0.84 -3.18 115.31 117.27 1hot h LEU 258 Ca -0.01 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1hot h LEU 258 Cb 1.15 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1hot h LEU 258 CO 0.08 0.63 -0.03 -0.62 0.09 0.00 0.00 178.44 178.58 1hot n GLU 259 N -4.64 1.55 -0.16 1.13 -0.58 -0.32 -4.60 120.64 113.03 1hot n GLU 259 Ca -0.03 -0.90 -0.04 0.00 -0.42 0.00 0.00 57.16 55.77 1hot n GLU 259 Cb 0.24 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.59 1hot n GLU 259 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1hot n ALA 260 N 0.06 -0.24 -0.19 0.62 0.00 -0.09 0.13 120.51 120.80 1hot n ALA 260 Ca 0.18 0.32 -0.01 0.00 0.00 0.00 0.00 53.44 53.93 1hot n ALA 260 Cb 0.35 0.20 0.21 0.00 0.00 0.00 0.00 19.45 20.21 1hot n ALA 260 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1hot h GLU 261 N 0.00 0.94 0.00 0.00 4.39 -1.84 -2.70 114.58 115.37 1hot h GLU 261 Ca 0.06 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1hot h GLU 261 Cb 0.16 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1hot h GLU 261 CO -0.36 0.72 0.00 0.09 -1.16 0.00 0.00 179.01 178.31 1hot n ASN 262 N -4.34 0.50 -0.00 1.42 4.13 0.12 -2.87 115.26 114.21 1hot n ASN 262 Ca 0.06 0.66 0.01 0.00 1.68 0.00 0.00 54.58 56.99 1hot n ASN 262 Cb 0.13 -0.75 -0.01 0.00 -1.54 0.00 0.00 39.78 37.61 1hot n ASN 262 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 1hot n ILE 263 N -2.10 0.00 0.27 2.41 -5.35 -0.37 -4.62 119.36 109.61 1hot n ILE 263 Ca 0.01 -0.46 0.06 0.00 -0.27 0.00 0.00 62.75 62.09 1hot n ILE 263 Cb 0.14 1.00 0.27 0.00 -1.74 0.00 0.00 39.64 39.31 1hot n ILE 263 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1hot n LYS 264 N -1.02 0.05 0.11 6.28 5.02 -1.04 -2.60 118.16 124.96 1hot n LYS 264 Ca 0.00 0.42 0.20 0.00 -2.02 0.00 0.00 58.31 56.91 1hot n LYS 264 Cb 0.03 -1.62 0.76 0.00 -0.02 0.00 0.00 35.03 34.18 1hot n LYS 264 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1hot h GLY 265 N 1.28 0.00 0.00 0.72 0.00 -1.82 -3.52 103.07 99.73 1hot h GLY 265 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1hot h GLY 265 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58