#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 2.63 -0.08 2.12 0.52 -0.31 -5.01 118.95 118.83 1hot s ARG 2 Ca 0.00 -0.71 -0.01 0.00 -0.52 0.00 0.00 55.73 54.49 1hot s ARG 2 Cb 0.00 -2.57 0.03 0.00 0.52 0.00 0.00 34.95 32.92 1hot s ARG 2 CO 0.00 0.60 -0.02 -1.17 0.02 0.00 0.00 175.30 174.73 1hot s LEU 3 N -1.68 0.75 -0.50 2.53 0.20 -1.26 -0.90 118.68 117.82 1hot s LEU 3 Ca 0.20 -0.12 -0.16 0.00 0.69 0.00 0.00 54.13 54.74 1hot s LEU 3 Cb -0.11 -0.51 0.10 0.00 -0.43 0.00 0.00 46.19 45.23 1hot s LEU 3 CO 0.11 -0.17 0.45 -0.63 -0.29 0.00 0.00 176.35 175.82 1hot s ILE 4 N 1.84 5.20 -0.81 6.68 -1.09 0.41 -4.85 121.20 128.58 1hot s ILE 4 Ca 0.04 -1.22 -0.23 0.00 -2.23 0.00 0.00 60.65 57.01 1hot s ILE 4 Cb -0.12 -4.23 0.07 0.00 -1.58 0.00 0.00 42.46 36.60 1hot s ILE 4 CO -0.05 -0.72 1.17 -2.16 -1.23 0.00 0.00 174.94 171.95 1hot s PRO 5 N 1.68 3.34 0.53 2.79 0.04 -1.26 -1.15 135.00 140.98 1hot s PRO 5 Ca 0.04 -1.00 0.09 0.00 0.04 0.00 0.00 61.00 60.17 1hot s PRO 5 Cb -0.26 -4.62 0.09 0.00 0.04 0.00 0.00 34.50 29.75 1hot s PRO 5 CO 0.05 -1.95 0.74 1.28 0.04 0.00 0.00 177.00 177.16 1hot n LEU 6 N 7.99 0.00 -0.13 -3.56 4.77 0.56 -5.00 117.00 121.63 1hot n LEU 6 Ca 0.12 -2.30 -0.23 0.00 -0.03 0.00 0.00 56.01 53.57 1hot n LEU 6 Cb 0.48 -0.39 -0.11 0.00 -2.33 0.00 0.00 43.42 41.07 1hot n LEU 6 CO 0.62 -0.70 -1.39 0.41 -1.33 0.00 0.00 177.39 175.01 1hot n THR 7 N -2.17 1.49 -4.45 -5.08 -1.04 -1.26 -2.60 114.28 99.18 1hot n THR 7 Ca 0.15 -0.49 -0.23 0.00 -2.04 0.00 0.00 64.05 61.44 1hot n THR 7 Cb 0.55 -1.61 -0.10 0.00 -1.82 0.00 0.00 70.33 67.35 1hot n THR 7 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1hot s THR 8 N -2.51 2.16 0.41 12.58 -4.23 -1.26 -2.06 115.64 120.73 1hot s THR 8 Ca -0.36 -2.29 0.08 0.00 -1.18 0.00 0.00 61.69 57.93 1hot s THR 8 Cb 0.11 -2.33 0.27 0.00 1.34 0.00 0.00 72.50 71.90 1hot s THR 8 CO 0.55 -0.39 2.05 0.00 -0.54 0.00 0.00 174.62 176.28 1hot h ALA 9 N 2.29 1.74 0.03 3.99 0.00 -1.96 -0.79 119.26 124.55 1hot h ALA 9 Ca -0.40 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1hot h ALA 9 Cb 1.25 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1hot h ALA 9 CO 0.63 0.23 -0.01 1.49 0.00 0.00 0.00 179.25 181.59 1hot h GLU 10 N 0.55 -0.03 -0.85 0.00 4.57 -1.96 -0.26 114.58 116.59 1hot h GLU 10 Ca 0.17 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 1hot h GLU 10 Cb 0.01 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 1hot h GLU 10 CO -0.04 0.02 0.41 1.96 -1.18 0.00 0.00 179.01 180.18 1hot h GLN 11 N -0.08 1.23 -0.19 1.92 4.20 -1.80 -1.17 115.11 119.22 1hot h GLN 11 Ca -0.00 -0.18 0.03 0.00 0.06 0.00 0.00 58.65 58.55 1hot h GLN 11 Cb 0.07 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 1hot h GLN 11 CO 0.01 0.95 -0.01 0.28 -0.67 0.00 0.00 178.83 179.38 1hot h VAL 12 N 1.22 0.86 -0.43 -0.54 2.07 -0.76 0.74 116.25 119.40 1hot h VAL 12 Ca 0.29 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.73 1hot h VAL 12 Cb 0.13 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1hot h VAL 12 CO -0.04 0.01 -0.01 1.23 0.02 0.00 0.00 177.57 178.78 1hot h GLY 13 N 0.05 0.76 1.53 2.17 0.00 -0.72 -0.56 103.07 106.30 1hot h GLY 13 Ca 0.09 -0.49 -0.12 0.00 0.00 0.00 0.00 47.33 46.80 1hot h GLY 13 CO -0.16 0.46 -0.37 1.70 0.00 0.00 0.00 176.54 178.17 1hot h LYS 14 N 0.66 0.53 -0.09 4.80 1.63 -0.67 -1.59 116.57 121.84 1hot h LYS 14 Ca 0.13 -0.25 -0.04 0.00 -0.85 0.00 0.00 60.65 59.63 1hot h LYS 14 Cb 0.43 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1hot h LYS 14 CO 0.02 0.82 -0.12 2.35 -3.45 0.00 0.00 179.45 179.07 1hot h TRP 15 N 0.44 0.29 0.06 1.91 7.01 -0.30 -2.36 115.95 123.00 1hot h TRP 15 Ca 0.04 -0.09 -0.00 0.00 2.11 0.00 0.00 58.89 60.95 1hot h TRP 15 Cb 0.85 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 27.85 1hot h TRP 15 CO 0.03 0.70 -0.03 0.00 -2.79 0.00 0.00 178.44 176.35 1hot h ALA 16 N 0.54 -0.08 -0.37 2.65 0.00 -1.10 -0.40 119.26 120.49 1hot h ALA 16 Ca 0.01 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1hot h ALA 16 Cb 0.67 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1hot h ALA 16 CO 0.03 -0.54 0.14 0.00 0.00 0.00 0.00 179.25 178.88 1hot h ALA 17 N 0.83 0.43 -0.70 0.00 0.00 -1.36 0.33 119.26 118.80 1hot h ALA 17 Ca -0.01 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1hot h ALA 17 Cb 0.08 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1hot h ALA 17 CO 0.01 -0.25 0.44 -0.09 0.00 0.00 0.00 179.25 179.36 1hot h ARG 18 N 0.29 0.83 -0.57 0.00 2.43 -1.28 0.75 114.38 116.83 1hot h ARG 18 Ca 0.17 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.18 1hot h ARG 18 Cb 0.14 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1hot h ARG 18 CO -0.17 0.55 -0.06 1.25 -1.51 0.00 0.00 179.97 180.04 1hot h HIS 19 N 0.85 1.14 -0.16 2.20 2.76 -0.27 -1.02 115.15 120.65 1hot h HIS 19 Ca 0.28 -0.21 -0.02 0.00 -2.20 0.00 0.00 60.37 58.22 1hot h HIS 19 Cb 0.02 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.69 1hot h HIS 19 CO -0.04 1.03 0.02 0.82 -1.30 0.00 0.00 177.93 178.45 1hot h ILE 20 N 0.93 1.23 -0.89 6.26 2.04 -0.33 -1.86 117.51 124.89 1hot h ILE 20 Ca 0.16 -0.75 0.05 0.00 1.00 0.00 0.00 64.86 65.32 1hot h ILE 20 Cb 0.61 1.43 -0.06 0.00 -0.74 0.00 0.00 36.82 38.06 1hot h ILE 20 CO 0.04 0.22 0.56 0.58 0.00 0.00 0.00 178.15 179.55 1hot h VAL 21 N 0.04 1.08 -0.42 1.67 2.07 -0.68 -0.65 116.25 119.37 1hot h VAL 21 Ca 0.05 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.12 1hot h VAL 21 Cb 0.33 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1hot h VAL 21 CO 0.00 0.19 -0.11 0.78 0.02 0.00 0.00 177.57 178.46 1hot h ASN 22 N 1.04 0.73 -0.02 0.57 -0.26 -1.06 0.68 115.58 117.25 1hot h ASN 22 Ca 0.38 -0.21 -0.00 0.00 -0.56 0.00 0.00 56.30 55.90 1hot h ASN 22 Cb 0.13 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 37.19 1hot h ASN 22 CO -0.16 0.86 -0.00 0.03 -1.06 0.00 0.00 177.43 177.10 1hot h ARG 23 N 0.67 0.04 0.25 0.81 2.47 -0.59 -0.24 114.38 117.79 1hot h ARG 23 Ca 0.12 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1hot h ARG 23 Cb 0.57 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.88 1hot h ARG 23 CO 0.04 0.36 -0.18 0.82 0.56 0.00 0.00 179.97 181.57 1hot h ILE 24 N -0.29 0.62 -0.84 2.04 2.04 -0.95 -0.48 117.51 119.65 1hot h ILE 24 Ca 0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1hot h ILE 24 Cb 0.35 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 1hot h ILE 24 CO 0.00 0.00 0.44 0.78 0.00 0.00 0.00 178.15 179.37 1hot h ASN 25 N -0.43 1.06 0.72 1.72 2.35 -0.89 -1.01 115.58 119.11 1hot h ASN 25 Ca -0.02 -0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.55 1hot h ASN 25 Cb 0.37 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1hot h ASN 25 CO 0.01 0.86 -0.39 0.00 -1.65 0.00 0.00 177.43 176.26 1hot h ALA 26 N 1.31 1.06 0.01 -0.83 0.00 -0.88 -3.05 119.26 116.87 1hot h ALA 26 Ca 0.29 -0.36 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 1hot h ALA 26 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1hot h ALA 26 CO -0.04 0.49 -0.95 0.35 0.00 0.00 0.00 179.25 179.09 1hot h PHE 27 N 0.00 0.59 -5.63 0.00 3.57 -0.16 -3.49 116.94 111.83 1hot h PHE 27 Ca -0.00 -0.33 -0.14 0.00 3.53 0.00 0.00 57.97 61.03 1hot h PHE 27 Cb 0.86 -0.07 0.04 0.00 2.79 0.00 0.00 35.95 39.58 1hot h PHE 27 CO 0.00 1.15 -0.37 1.63 -2.23 0.00 0.00 178.31 178.49 1hot n LYS 28 N -3.73 -1.51 -2.26 1.11 5.02 -0.47 -4.94 118.16 111.37 1hot n LYS 28 Ca -0.07 1.20 -0.38 0.00 -2.02 0.00 0.00 58.31 57.05 1hot n LYS 28 Cb 0.84 -5.21 -0.01 0.00 -0.02 0.00 0.00 35.03 30.63 1hot n LYS 28 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1hot s PRO 29 N -3.75 3.87 0.48 1.97 0.04 -1.26 -5.04 135.00 131.32 1hot s PRO 29 Ca 0.12 1.81 0.02 0.00 0.04 0.00 0.00 61.00 63.00 1hot s PRO 29 Cb -0.03 -2.52 -0.01 0.00 0.04 0.00 0.00 34.50 31.99 1hot s PRO 29 CO 0.78 -0.47 0.07 0.95 0.04 0.00 0.00 177.00 178.37 1hot s THR 30 N -1.49 0.78 -0.08 1.26 -4.23 -0.01 -4.87 115.64 107.00 1hot s THR 30 Ca 0.61 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.37 1hot s THR 30 Cb -0.30 -2.14 0.28 0.00 1.34 0.00 0.00 72.50 71.68 1hot s THR 30 CO 0.37 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 176.20 1hot h ALA 31 N 1.48 0.96 0.00 3.99 0.00 -1.96 -2.63 119.26 121.10 1hot h ALA 31 Ca -0.39 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1hot h ALA 31 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1hot h ALA 31 CO 0.64 0.18 -1.00 -0.25 0.00 0.00 0.00 179.25 178.82 1hot n ASP 32 N -3.21 0.62 -3.22 0.00 8.00 -1.26 -4.58 116.55 112.91 1hot n ASP 32 Ca 0.02 -0.08 -0.20 0.00 0.71 0.00 0.00 54.79 55.23 1hot n ASP 32 Cb 0.47 0.71 -0.07 0.00 -0.02 0.00 0.00 41.12 42.21 1hot n ASP 32 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1hot s ARG 33 N -3.23 0.92 0.54 -1.24 3.52 -1.12 -5.15 118.95 113.21 1hot s ARG 33 Ca 0.03 -1.71 -0.09 0.00 -0.13 0.00 0.00 55.73 53.82 1hot s ARG 33 Cb 0.14 -0.99 -0.04 0.00 -1.56 0.00 0.00 34.95 32.50 1hot s ARG 33 CO 0.79 -1.35 0.92 -1.25 -0.81 0.00 0.00 175.30 173.60 1hot s PRO 34 N 0.41 3.63 -0.13 5.12 0.04 -1.01 -0.83 135.00 142.23 1hot s PRO 34 Ca 0.31 0.55 -0.19 0.00 0.04 0.00 0.00 61.00 61.71 1hot s PRO 34 Cb 0.01 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1hot s PRO 34 CO -0.14 -0.37 0.54 0.12 0.04 0.00 0.00 177.00 177.18 1hot s PHE 35 N -2.91 3.48 -0.29 0.56 5.36 -1.01 -4.90 117.98 118.27 1hot s PHE 35 Ca 0.52 0.93 -0.10 0.00 -0.96 0.00 0.00 56.93 57.32 1hot s PHE 35 Cb -0.11 -2.64 -0.03 0.00 -0.34 0.00 0.00 43.02 39.91 1hot s PHE 35 CO 0.47 0.07 0.16 0.08 -1.46 0.00 0.00 175.22 174.54 1hot s VAL 36 N 0.97 4.89 -0.11 3.12 1.01 -1.26 -0.16 120.40 128.86 1hot s VAL 36 Ca 0.28 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1hot s VAL 36 Cb -0.16 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 1hot s VAL 36 CO 0.11 0.17 -0.16 -0.22 0.00 0.00 0.00 175.10 175.01 1hot s LEU 37 N 1.68 2.57 -0.12 3.92 0.20 0.19 -1.22 118.68 125.91 1hot s LEU 37 Ca 0.06 -0.37 -0.09 0.00 0.69 0.00 0.00 54.13 54.42 1hot s LEU 37 Cb -0.16 -1.56 -0.04 0.00 -0.43 0.00 0.00 46.19 43.99 1hot s LEU 37 CO 0.08 0.18 0.20 -0.83 -0.29 0.00 0.00 176.35 175.69 1hot s GLY 38 N 0.24 2.20 0.08 7.98 0.00 -0.41 -0.61 107.32 116.80 1hot s GLY 38 Ca -0.11 -0.56 0.05 0.00 0.00 0.00 0.00 44.72 44.10 1hot s GLY 38 CO 0.06 -0.14 -0.13 1.08 0.00 0.00 0.00 173.10 173.97 1hot s LEU 39 N -0.69 2.32 0.48 0.66 1.43 0.14 -1.24 118.68 121.77 1hot s LEU 39 Ca 0.15 -0.68 0.06 0.00 -1.03 0.00 0.00 54.13 52.64 1hot s LEU 39 Cb -0.13 -0.45 -0.00 0.00 0.03 0.00 0.00 46.19 45.64 1hot s LEU 39 CO 0.05 -0.13 0.33 -2.16 0.23 0.00 0.00 176.35 174.67 1hot s PRO 40 N -2.06 2.32 0.00 1.29 0.04 -1.25 -1.31 135.00 134.03 1hot s PRO 40 Ca 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 61.00 59.19 1hot s PRO 40 Cb -0.08 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 1hot s PRO 40 CO 0.02 -0.38 0.00 0.25 0.04 0.00 0.00 177.00 176.93 1hot n THR 41 N -1.57 0.00 0.00 1.26 -2.24 -1.26 -4.95 114.28 105.53 1hot n THR 41 Ca -0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1hot n THR 41 Cb 0.64 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 1.82 0.58 0.21 3.38 0.00 -1.26 -4.63 105.19 105.29 1hot n GLY 42 Ca -0.00 -2.17 -0.06 0.00 0.00 0.00 0.00 46.02 43.78 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 0.49 -0.05 -0.02 0.00 -2.02 -3.36 103.07 98.11 1hot h GLY 43 Ca 0.00 -0.52 0.10 0.00 0.00 0.00 0.00 47.33 46.91 1hot h GLY 43 CO 0.00 0.47 -0.16 -0.84 0.00 0.00 0.00 176.54 176.01 1hot h THR 44 N 0.37 0.44 0.00 4.70 2.02 -1.97 -2.80 112.91 115.67 1hot h THR 44 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1hot h THR 44 Cb 0.95 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 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 -5.38 0.97 -0.05 6.66 -0.04 -1.26 -4.31 135.00 131.59 1hot n PRO 45 Ca 0.04 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.42 1hot n PRO 45 Cb 0.29 -1.30 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.00 -0.04 -0.63 0.54 2.86 -1.70 -0.37 114.93 115.58 1hot h MET 46 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1hot h MET 46 Cb 0.00 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 1hot h MET 46 CO 0.00 -0.03 0.30 1.79 1.06 0.00 0.00 176.91 180.04 1hot h THR 47 N -0.04 1.21 -0.57 2.22 1.35 -1.83 -0.81 112.91 114.44 1hot h THR 47 Ca 0.11 -0.58 -0.10 0.00 -0.55 0.00 0.00 66.41 65.29 1hot h THR 47 Cb 0.21 0.40 -0.02 0.00 -1.73 0.00 0.00 68.15 67.01 1hot h THR 47 CO -0.25 0.24 -0.02 0.74 -0.25 0.00 0.00 175.52 175.98 1hot h THR 48 N 0.89 1.27 -0.46 6.82 2.02 -1.61 -1.32 112.91 120.51 1hot h THR 48 Ca 0.22 -1.17 -0.07 0.00 0.77 0.00 0.00 66.41 66.16 1hot h THR 48 Cb 0.10 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1hot h THR 48 CO -0.03 0.42 0.02 1.88 0.37 0.00 0.00 175.52 178.18 1hot h TYR 49 N 0.92 0.88 -0.13 3.16 0.05 -0.56 -1.15 116.97 120.13 1hot h TYR 49 Ca 0.16 -0.15 0.04 0.00 0.05 0.00 0.00 58.73 58.83 1hot h TYR 49 Cb 0.58 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 38.05 1hot h TYR 49 CO 0.04 0.84 -0.10 0.87 -1.05 0.00 0.00 178.16 178.77 1hot h LYS 50 N 0.66 -0.10 -0.18 4.88 6.56 -0.90 -1.26 116.57 126.23 1hot h LYS 50 Ca 0.13 0.01 -0.08 0.00 -1.06 0.00 0.00 60.65 59.65 1hot h LYS 50 Cb 0.48 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.15 1hot h LYS 50 CO 0.02 -0.07 -0.22 0.00 -2.06 0.00 0.00 179.45 177.12 1hot h ALA 51 N 1.00 1.29 -0.29 3.86 0.00 -1.14 -2.42 119.26 121.56 1hot h ALA 51 Ca 0.08 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1hot h ALA 51 Cb 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1hot h ALA 51 CO -0.20 0.47 -0.00 -0.07 0.00 0.00 0.00 179.25 179.45 1hot h LEU 52 N 0.29 0.51 -0.41 0.00 3.38 -0.52 -1.78 115.31 116.77 1hot h LEU 52 Ca 0.05 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.72 1hot h LEU 52 Cb 0.56 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1hot h LEU 52 CO 0.04 0.69 0.26 0.58 0.09 0.00 0.00 178.44 180.10 1hot h VAL 53 N 0.30 1.08 0.07 1.22 2.07 -1.14 -1.01 116.25 118.85 1hot h VAL 53 Ca 0.08 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1hot h VAL 53 Cb 0.44 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1hot h VAL 53 CO 0.02 0.10 -0.31 -0.33 0.02 0.00 0.00 177.57 177.07 1hot h GLU 54 N 0.53 -0.42 -1.02 1.57 5.08 -1.27 0.07 114.58 119.13 1hot h GLU 54 Ca 0.16 0.03 0.25 0.00 -1.00 0.00 0.00 59.36 58.79 1hot h GLU 54 Cb -0.04 0.10 -0.11 0.00 0.50 0.00 0.00 28.75 29.20 1hot h GLU 54 CO -0.05 -0.28 0.63 0.52 -1.00 0.00 0.00 179.01 178.84 1hot h MET 55 N -0.44 0.49 -0.17 2.33 2.86 -1.14 0.11 114.93 118.97 1hot h MET 55 Ca -0.00 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 1hot h MET 55 Cb 0.44 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1hot h MET 55 CO -0.17 0.32 -0.04 1.25 1.06 0.00 0.00 176.91 179.34 1hot h HIS 56 N 0.51 0.38 -0.29 -0.22 -0.00 -0.51 0.37 115.15 115.38 1hot h HIS 56 Ca 0.61 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.90 1hot h HIS 56 Cb 1.33 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 28.64 1hot h HIS 56 CO -0.00 0.60 0.15 0.87 -0.00 0.00 0.00 177.93 179.54 1hot h LYS 57 N 0.05 0.39 -0.02 5.26 1.57 0.11 0.09 116.57 124.02 1hot h LYS 57 Ca 0.04 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1hot h LYS 57 Cb 0.47 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1hot h LYS 57 CO 0.02 0.30 0.00 0.00 -0.57 0.00 0.00 179.45 179.20 1hot n ALA 58 N -2.49 2.57 -2.16 3.86 0.00 0.03 -4.89 120.51 117.44 1hot n ALA 58 Ca 0.01 -0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.22 1hot n ALA 58 Cb 0.10 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 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 0.76 0.01 0.09 0.00 0.00 0.02 -4.94 105.19 101.13 1hot n GLY 59 Ca 0.11 -0.49 0.06 0.00 0.00 0.00 0.00 46.02 45.70 1hot n GLY 59 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1hot n GLN 60 N -1.94 0.63 -3.86 1.61 6.02 0.13 -4.97 117.38 114.99 1hot n GLN 60 Ca -0.11 0.09 -0.10 0.00 -0.01 0.00 0.00 57.00 56.86 1hot n GLN 60 Cb 0.58 -1.74 -0.08 0.00 1.02 0.00 0.00 30.24 30.01 1hot n GLN 60 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1hot s VAL 61 N -3.20 0.12 -0.05 5.09 1.01 -1.24 -4.97 120.40 117.17 1hot s VAL 61 Ca -0.03 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1hot s VAL 61 Cb 0.10 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.49 1hot s VAL 61 CO 0.82 -0.55 -0.02 -0.55 0.00 0.00 0.00 175.10 174.80 1hot s SER 62 N -2.28 0.97 -0.12 3.32 0.15 -1.26 -4.57 113.70 109.90 1hot s SER 62 Ca -0.03 -0.09 0.17 0.00 0.70 0.00 0.00 55.95 56.70 1hot s SER 62 Cb 0.00 -0.39 0.70 0.00 -1.71 0.00 0.00 66.02 64.62 1hot s SER 62 CO -0.06 -0.10 1.60 0.49 1.20 0.00 0.00 173.24 176.37 1hot n PHE 63 N 4.32 1.50 -0.15 3.44 3.72 -1.26 -4.38 117.46 124.65 1hot n PHE 63 Ca -0.21 -0.58 0.11 0.00 -0.05 0.00 0.00 57.45 56.71 1hot n PHE 63 Cb 0.51 -0.27 0.44 0.00 -0.94 0.00 0.00 39.48 39.21 1hot n PHE 63 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1hot h LYS 64 N 3.86 0.54 -0.63 -1.08 1.63 -1.90 -2.48 116.57 116.51 1hot h LYS 64 Ca 0.00 -0.03 -0.46 0.00 -0.85 0.00 0.00 60.65 59.31 1hot h LYS 64 Cb 1.46 -0.12 -0.34 0.00 -0.60 0.00 0.00 32.23 32.64 1hot h LYS 64 CO 0.26 0.36 -0.61 0.72 -3.45 0.00 0.00 179.45 176.73 1hot n HIS 65 N -4.49 2.27 -5.20 1.91 8.25 -1.26 -4.54 115.22 112.17 1hot n HIS 65 Ca 0.12 -2.14 -0.32 0.00 -0.26 0.00 0.00 57.72 55.12 1hot n HIS 65 Cb 0.35 -0.42 -0.17 0.00 1.12 0.00 0.00 29.99 30.88 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 -4.34 2.11 -0.19 1.59 1.01 -0.93 -2.40 120.40 117.25 1hot s VAL 66 Ca 0.50 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 1hot s VAL 66 Cb 0.41 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1hot s VAL 66 CO 0.02 0.56 0.05 -0.69 0.00 0.00 0.00 175.10 175.04 1hot s VAL 67 N 0.28 4.66 0.11 2.92 1.01 0.77 -4.81 120.40 125.34 1hot s VAL 67 Ca -0.17 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 61.79 1hot s VAL 67 Cb -0.17 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1hot s VAL 67 CO 0.08 0.45 -0.03 0.42 0.00 0.00 0.00 175.10 176.02 1hot s THR 68 N 0.51 3.79 -0.03 3.92 -4.23 -0.17 -0.64 115.64 118.79 1hot s THR 68 Ca 0.03 -1.14 0.01 0.00 -1.18 0.00 0.00 61.69 59.40 1hot s THR 68 Cb -0.13 -2.82 0.02 0.00 1.34 0.00 0.00 72.50 70.91 1hot s THR 68 CO 0.01 0.07 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.77 1hot s PHE 69 N -1.36 0.57 0.20 3.99 0.08 0.22 -1.22 117.98 120.45 1hot s PHE 69 Ca 0.25 -0.12 -0.02 0.00 0.12 0.00 0.00 56.93 57.16 1hot s PHE 69 Cb -0.11 -0.54 -0.04 0.00 -0.57 0.00 0.00 43.02 41.76 1hot s PHE 69 CO 0.17 -0.15 0.41 -0.80 -0.10 0.00 0.00 175.22 174.75 1hot s ASN 70 N 0.83 6.40 0.05 1.36 -0.87 -1.03 0.25 114.94 121.94 1hot s ASN 70 Ca -0.10 0.46 -0.20 0.00 -1.57 0.00 0.00 52.86 51.45 1hot s ASN 70 Cb -0.13 -2.03 -0.13 0.00 -0.02 0.00 0.00 41.25 38.94 1hot s ASN 70 CO -0.00 -0.05 1.40 0.24 -2.57 0.00 0.00 177.10 176.12 1hot h MET 71 N 2.07 0.37 -3.94 -0.60 2.86 -1.58 -3.45 114.93 110.66 1hot h MET 71 Ca -0.48 -0.16 -0.25 0.00 -2.06 0.00 0.00 59.70 56.75 1hot h MET 71 Cb 1.19 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.78 1hot h MET 71 CO 0.68 0.68 -0.09 0.16 1.06 0.00 0.00 176.91 179.40 1hot s ASP 72 N -6.04 0.86 -0.17 1.22 1.47 -1.26 -0.71 116.67 112.05 1hot s ASP 72 Ca -0.14 -1.48 -0.28 0.00 1.18 0.00 0.00 52.55 51.83 1hot s ASP 72 Cb 0.06 0.72 0.09 0.00 -0.34 0.00 0.00 42.92 43.45 1hot s ASP 72 CO 0.75 -1.41 0.84 -0.70 0.68 0.00 0.00 175.17 175.33 1hot s GLU 73 N -2.77 0.79 0.34 2.11 2.56 -0.23 -4.78 118.70 116.71 1hot s GLU 73 Ca 0.28 0.45 -0.28 0.00 0.00 0.00 0.00 54.97 55.42 1hot s GLU 73 Cb -0.02 0.38 -0.09 0.00 2.00 0.00 0.00 34.13 36.40 1hot s GLU 73 CO 0.20 -0.19 1.17 0.71 -0.56 0.00 0.00 175.26 176.59 1hot s TYR 74 N -0.57 3.26 -0.08 5.30 2.02 -1.26 -0.51 117.35 125.51 1hot s TYR 74 Ca -0.04 1.58 -0.20 0.00 -0.37 0.00 0.00 57.07 58.04 1hot s TYR 74 Cb -0.02 -3.41 -0.04 0.00 -0.40 0.00 0.00 41.96 38.08 1hot s TYR 74 CO 0.03 -1.13 0.56 0.08 -1.57 0.00 0.00 175.55 173.52 1hot s VAL 75 N -1.26 5.09 -0.31 0.71 1.01 -0.24 -4.05 120.40 121.35 1hot s VAL 75 Ca 0.50 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1hot s VAL 75 Cb -0.33 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1hot s VAL 75 CO 0.43 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.46 1hot n GLY 76 N 3.04 0.61 3.61 4.51 0.00 -0.50 -4.68 105.19 111.79 1hot n GLY 76 Ca -0.05 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.67 3.76 0.31 0.99 0.20 -1.26 -5.05 118.68 116.97 1hot s LEU 77 Ca 0.00 0.04 -0.30 0.00 0.69 0.00 0.00 54.13 54.57 1hot s LEU 77 Cb 0.00 -1.96 -0.11 0.00 -0.43 0.00 0.00 46.19 43.69 1hot s LEU 77 CO 0.00 0.15 1.57 -2.65 -0.29 0.00 0.00 176.35 175.13 1hot n PRO 78 N 3.70 2.70 -0.09 0.98 -0.02 -1.26 -4.79 135.00 136.23 1hot n PRO 78 Ca -0.16 0.96 0.20 0.00 -2.02 0.00 0.00 63.50 62.47 1hot n PRO 78 Cb 0.52 -2.73 0.63 0.00 -0.02 0.00 0.00 33.50 31.90 1hot n PRO 78 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1hot h LYS 79 N 4.34 0.15 -0.00 -0.52 1.57 -1.99 -0.50 116.57 119.61 1hot h LYS 79 Ca -0.48 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1hot h LYS 79 Cb 1.23 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1hot h LYS 79 CO 0.76 0.10 -0.10 -0.85 -0.57 0.00 0.00 179.45 178.78 1hot n GLU 80 N -4.40 0.70 -1.94 3.15 0.00 -1.26 -4.26 120.64 112.63 1hot n GLU 80 Ca 0.13 -0.23 -0.42 0.00 0.00 0.00 0.00 57.16 56.64 1hot n GLU 80 Cb 0.64 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.55 1hot n GLU 80 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1hot s HIS 81 N -2.45 3.07 0.40 -1.84 2.46 -0.20 -4.87 115.29 111.85 1hot s HIS 81 Ca 0.30 0.64 0.19 0.00 0.47 0.00 0.00 55.06 56.65 1hot s HIS 81 Cb 0.20 -3.92 1.12 0.00 -0.13 0.00 0.00 32.58 29.85 1hot s HIS 81 CO 0.47 -3.39 1.77 -1.00 -2.47 0.00 0.00 174.74 170.12 1hot h PRO 82 N 6.77 0.37 -0.06 2.88 0.13 -1.89 -0.38 132.00 139.83 1hot h PRO 82 Ca -0.43 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1hot h PRO 82 Cb 1.20 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1hot h PRO 82 CO 0.91 0.24 0.00 0.39 -0.23 0.00 0.00 178.00 179.32 1hot n GLU 83 N -4.61 1.39 -2.26 0.86 -0.58 -1.26 -4.18 120.64 110.00 1hot n GLU 83 Ca 0.25 -0.58 -0.34 0.00 -0.42 0.00 0.00 57.16 56.07 1hot n GLU 83 Cb 0.89 -1.40 -0.00 0.00 -0.57 0.00 0.00 31.44 30.35 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 -1.73 5.81 0.47 1.62 1.04 -0.15 -4.87 113.70 115.88 1hot s SER 84 Ca 0.35 2.08 0.17 0.00 0.48 0.00 0.00 55.95 59.03 1hot s SER 84 Cb 0.18 -2.57 1.11 0.00 0.10 0.00 0.00 66.02 64.83 1hot s SER 84 CO 0.28 -1.15 2.02 1.88 0.98 0.00 0.00 173.24 177.25 1hot h TYR 85 N 1.12 0.00 -0.54 5.02 0.05 -1.90 -1.55 116.97 119.17 1hot h TYR 85 Ca -0.49 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.26 1hot h TYR 85 Cb 1.25 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.96 1hot h TYR 85 CO 0.53 0.16 0.22 -0.92 -1.05 0.00 0.00 178.16 177.10 1hot h TYR 86 N 0.00 0.81 -0.09 4.88 5.03 -1.91 -1.48 116.97 124.21 1hot h TYR 86 Ca -0.00 -0.06 -0.01 0.00 2.58 0.00 0.00 58.73 61.24 1hot h TYR 86 Cb 0.29 -0.24 -0.00 0.00 1.55 0.00 0.00 36.73 38.32 1hot h TYR 86 CO 0.00 0.66 0.03 0.77 -1.32 0.00 0.00 178.16 178.30 1hot h SER 87 N 0.73 0.13 -0.24 -2.11 0.02 -1.55 -2.81 113.55 107.71 1hot h SER 87 Ca 0.18 -0.18 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1hot h SER 87 Cb 0.19 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.62 1hot h SER 87 CO -0.02 0.28 -0.23 0.15 -1.14 0.00 0.00 176.83 175.87 1hot h PHE 88 N -0.02 -0.61 -0.03 3.45 3.04 -1.04 0.22 116.94 121.95 1hot h PHE 88 Ca 0.03 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.99 1hot h PHE 88 Cb 0.19 0.31 -0.00 0.00 2.56 0.00 0.00 35.95 39.00 1hot h PHE 88 CO -0.01 -0.31 -0.09 0.52 -2.02 0.00 0.00 178.31 176.40 1hot h MET 89 N -0.23 0.05 0.15 1.11 2.86 -1.26 -0.29 114.93 117.31 1hot h MET 89 Ca 0.14 -0.01 -0.24 0.00 -2.06 0.00 0.00 59.70 57.53 1hot h MET 89 Cb 0.45 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.11 1hot h MET 89 CO -0.38 0.15 -1.15 0.45 1.06 0.00 0.00 176.91 177.04 1hot h HIS 90 N 0.05 0.56 -0.19 -0.22 3.86 -1.16 0.69 115.15 118.74 1hot h HIS 90 Ca 0.01 -0.41 -0.01 0.00 -1.16 0.00 0.00 60.37 58.80 1hot h HIS 90 Cb 0.20 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1hot h HIS 90 CO 0.00 1.44 0.10 -0.09 0.86 0.00 0.00 177.93 180.24 1hot h ARG 91 N -0.27 0.27 -0.00 2.45 2.43 -0.81 -1.37 114.38 117.08 1hot h ARG 91 Ca -0.22 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1hot h ARG 91 Cb 1.76 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.26 1hot h ARG 91 CO 0.13 0.28 -0.54 0.09 -1.51 0.00 0.00 179.97 178.42 1hot n ASN 92 N -4.89 0.80 0.06 -3.80 3.02 -0.13 -4.79 115.26 105.53 1hot n ASN 92 Ca -0.04 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 1hot n ASN 92 Cb 0.08 0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 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 -1.23 -1.67 -0.23 3.10 7.35 -0.90 -4.76 117.46 119.12 1hot n PHE 93 Ca 0.07 0.30 0.03 0.00 -0.76 0.00 0.00 57.45 57.09 1hot n PHE 93 Cb 0.35 0.93 0.14 0.00 0.35 0.00 0.00 39.48 41.24 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 0.04 -0.04 -5.13 0.04 -0.95 -0.91 116.94 109.99 1hot h PHE 94 Ca 0.00 0.05 0.01 0.00 2.80 0.00 0.00 57.97 60.83 1hot h PHE 94 Cb 0.00 0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.24 1hot h PHE 94 CO 0.00 -0.17 0.08 -0.44 -0.60 0.00 0.00 178.31 177.18 1hot h ASP 95 N 0.15 0.00 -0.01 2.17 3.32 -1.48 -2.65 116.42 117.92 1hot h ASP 95 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1hot h ASP 95 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1hot h ASP 95 CO -0.56 0.00 -0.52 1.41 -1.72 0.00 0.00 179.24 177.84 1hot n HIS 96 N -3.46 0.00 -4.48 4.55 8.25 -0.36 -5.00 115.22 114.73 1hot n HIS 96 Ca -0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.19 1hot n HIS 96 Cb 0.16 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.18 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 -2.42 2.35 -0.32 1.59 -7.23 -1.00 -4.92 120.40 108.45 1hot s VAL 97 Ca 0.15 -2.12 -0.03 0.00 -1.81 0.00 0.00 61.98 58.17 1hot s VAL 97 Cb 0.16 -2.71 0.08 0.00 0.56 0.00 0.00 36.38 34.47 1hot s VAL 97 CO 0.58 -0.19 2.54 -0.90 -0.31 0.00 0.00 175.10 176.81 1hot n ASP 98 N -0.85 6.25 -4.80 4.85 5.75 -1.26 -4.93 116.55 121.56 1hot n ASP 98 Ca -0.05 -3.01 -0.37 0.00 -0.01 0.00 0.00 54.79 51.35 1hot n ASP 98 Cb 0.63 -1.18 -0.06 0.00 -1.03 0.00 0.00 41.12 39.48 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 -1.72 5.21 0.34 2.12 2.07 -1.26 -2.65 121.20 125.31 1hot s ILE 99 Ca 0.45 0.66 -0.28 0.00 -1.41 0.00 0.00 60.65 60.07 1hot s ILE 99 Cb 0.30 -3.64 -0.10 0.00 0.13 0.00 0.00 42.46 39.15 1hot s ILE 99 CO -0.10 0.51 1.27 -2.84 -1.91 0.00 0.00 174.94 171.87 1hot s PRO 100 N -0.46 4.30 0.51 3.50 0.02 -1.26 -4.92 135.00 136.70 1hot s PRO 100 Ca 0.20 2.12 0.17 0.00 0.02 0.00 0.00 61.00 63.51 1hot s PRO 100 Cb -0.15 -3.00 1.26 0.00 0.02 0.00 0.00 34.50 32.64 1hot s PRO 100 CO 0.09 -0.20 2.12 0.00 -0.33 0.00 0.00 177.00 178.68 1hot h ALA 101 N 3.25 2.05 0.00 -1.55 0.00 -1.97 0.62 119.26 121.66 1hot h ALA 101 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1hot h ALA 101 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1hot h ALA 101 CO 0.65 -0.07 0.00 -0.85 0.00 0.00 0.00 179.25 178.98 1hot n GLU 102 N -4.52 0.19 -0.06 0.00 0.00 -1.26 -2.77 120.64 112.22 1hot n GLU 102 Ca -0.01 0.07 0.12 0.00 0.00 0.00 0.00 57.16 57.34 1hot n GLU 102 Cb 0.16 -1.50 0.28 0.00 0.00 0.00 0.00 31.44 30.37 1hot n GLU 102 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1hot n ASN 103 N -1.38 2.53 -4.59 -1.84 4.13 0.21 -4.91 115.26 109.41 1hot n ASN 103 Ca 0.09 -1.83 -0.34 0.00 1.68 0.00 0.00 54.58 54.18 1hot n ASN 103 Cb 0.23 -0.08 -0.10 0.00 -1.54 0.00 0.00 39.78 38.29 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 -1.83 4.49 -0.11 2.41 1.01 -1.12 -1.00 121.20 125.05 1hot s ILE 104 Ca 0.34 -0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.87 1hot s ILE 104 Cb 0.20 -3.01 0.01 0.00 0.01 0.00 0.00 42.46 39.68 1hot s ILE 104 CO 0.30 0.47 -0.19 0.20 0.00 0.00 0.00 174.94 175.73 1hot s ASN 105 N 0.37 2.73 0.02 3.58 0.01 -0.36 -4.96 114.94 116.33 1hot s ASN 105 Ca 0.01 -0.50 0.00 0.00 -0.71 0.00 0.00 52.86 51.66 1hot s ASN 105 Cb -0.13 -1.25 -0.01 0.00 0.41 0.00 0.00 41.25 40.27 1hot s ASN 105 CO 0.01 0.06 -0.03 -0.76 -1.51 0.00 0.00 177.10 174.88 1hot s LEU 106 N 0.79 2.17 0.25 0.60 1.43 -1.26 -2.46 118.68 120.20 1hot s LEU 106 Ca -0.09 -0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 52.35 1hot s LEU 106 Cb -0.16 0.03 -0.09 0.00 0.03 0.00 0.00 46.19 46.00 1hot s LEU 106 CO 0.00 -0.20 0.96 -0.76 0.23 0.00 0.00 176.35 176.58 1hot s LEU 107 N -1.05 4.62 -0.61 1.79 1.43 -1.26 -5.02 118.68 118.59 1hot s LEU 107 Ca -0.11 1.97 -0.19 0.00 -1.03 0.00 0.00 54.13 54.78 1hot s LEU 107 Cb -0.07 -3.64 0.10 0.00 0.03 0.00 0.00 46.19 42.61 1hot s LEU 107 CO -0.01 0.11 0.73 0.21 0.23 0.00 0.00 176.35 177.63 1hot s ASN 108 N -1.18 6.20 0.00 2.29 3.84 -1.26 -4.82 114.94 120.01 1hot s ASN 108 Ca 0.42 -1.44 0.12 0.00 0.21 0.00 0.00 52.86 52.17 1hot s ASN 108 Cb -0.26 -2.31 0.58 0.00 -0.55 0.00 0.00 41.25 38.71 1hot s ASN 108 CO 0.32 -1.13 1.28 0.61 -2.79 0.00 0.00 177.10 175.40 1hot n GLY 109 N 5.27 -0.69 0.94 1.21 0.00 -1.26 -1.34 105.19 109.32 1hot n GLY 109 Ca -0.08 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.31 3.97 -4.72 1.61 3.02 -1.26 -1.41 115.26 115.16 1hot n ASN 110 Ca 0.05 -3.00 -0.42 0.00 -0.03 0.00 0.00 54.58 51.18 1hot n ASN 110 Cb 0.10 -0.55 -0.03 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 -2.80 3.68 0.35 5.41 0.00 -0.45 -4.90 121.76 123.04 1hot s ALA 111 Ca 0.43 1.25 0.06 0.00 0.00 0.00 0.00 51.96 53.69 1hot s ALA 111 Cb 0.34 -3.57 0.64 0.00 0.00 0.00 0.00 23.12 20.53 1hot s ALA 111 CO 0.09 -0.70 1.88 -1.00 0.00 0.00 0.00 175.76 176.03 1hot h PRO 112 N 6.53 0.45 -3.56 0.00 0.13 -1.95 -3.33 132.00 130.27 1hot h PRO 112 Ca -0.43 -0.10 -0.69 0.00 -0.87 0.00 0.00 66.00 63.91 1hot h PRO 112 Cb 1.21 -0.06 -0.36 0.00 0.13 0.00 0.00 31.00 31.91 1hot h PRO 112 CO 0.87 0.52 -0.41 0.34 -0.23 0.00 0.00 178.00 179.09 1hot s ASP 113 N -6.78 5.08 0.20 1.44 -1.08 -1.26 -4.97 116.67 109.31 1hot s ASP 113 Ca -0.07 -2.88 -0.13 0.00 -0.52 0.00 0.00 52.55 48.95 1hot s ASP 113 Cb 0.15 -1.82 0.25 0.00 -1.46 0.00 0.00 42.92 40.04 1hot s ASP 113 CO 0.76 -0.34 1.65 0.40 0.52 0.00 0.00 175.17 178.16 1hot h ILE 114 N 5.32 0.48 -0.84 4.11 2.04 -1.96 -0.83 117.51 125.82 1hot h ILE 114 Ca -0.03 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1hot h ILE 114 Cb 0.94 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1hot h ILE 114 CO 0.71 0.01 0.49 0.44 0.00 0.00 0.00 178.15 179.80 1hot h ASP 115 N 0.07 1.03 -0.52 1.72 3.32 -1.95 -1.90 116.42 118.19 1hot h ASP 115 Ca 0.30 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1hot h ASP 115 Cb 0.47 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1hot h ASP 115 CO -0.54 0.81 0.22 0.00 -1.72 0.00 0.00 179.24 178.01 1hot h ALA 116 N 1.26 0.67 0.25 3.45 0.00 -1.75 -1.40 119.26 121.74 1hot h ALA 116 Ca 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1hot h ALA 116 Cb -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1hot h ALA 116 CO -0.05 0.27 -0.27 1.49 0.00 0.00 0.00 179.25 180.69 1hot h GLU 117 N 0.70 -0.54 -0.82 0.00 4.57 -0.77 -1.01 114.58 116.70 1hot h GLU 117 Ca 0.17 0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.40 1hot h GLU 117 Cb 0.18 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.85 1hot h GLU 117 CO -0.02 -0.36 0.54 0.00 -1.18 0.00 0.00 179.01 177.99 1hot h ARG 119 N 1.12 0.33 -0.72 0.00 2.43 -1.10 -2.26 114.38 114.18 1hot h ARG 119 Ca 0.30 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1hot h ARG 119 Cb -0.11 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 1hot h ARG 119 CO -0.06 0.46 0.44 1.96 -1.51 0.00 0.00 179.97 181.26 1hot h GLN 120 N 0.15 0.96 -0.67 0.20 4.20 -1.01 0.47 115.11 119.41 1hot h GLN 120 Ca 0.06 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1hot h GLN 120 Cb 0.28 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1hot h GLN 120 CO 0.00 0.66 0.38 -0.92 -0.67 0.00 0.00 178.83 178.28 1hot h TYR 121 N 0.98 0.91 -0.33 2.96 3.20 -0.89 0.18 116.97 123.98 1hot h TYR 121 Ca 0.26 -0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.99 1hot h TYR 121 Cb -0.06 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 37.91 1hot h TYR 121 CO 0.00 0.64 -0.30 0.93 -1.64 0.00 0.00 178.16 177.79 1hot h GLU 122 N 0.91 0.69 -0.30 1.82 4.39 -0.81 -2.61 114.58 118.68 1hot h GLU 122 Ca 0.24 -0.31 -0.08 0.00 0.34 0.00 0.00 59.36 59.55 1hot h GLU 122 Cb 0.02 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1hot h GLU 122 CO -0.04 0.91 -0.15 0.93 -1.16 0.00 0.00 179.01 179.50 1hot h GLU 123 N 0.59 0.52 -0.60 2.33 5.08 -0.18 -2.10 114.58 120.22 1hot h GLU 123 Ca 0.07 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 1hot h GLU 123 Cb 0.80 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1hot h GLU 123 CO 0.07 0.66 0.00 -0.22 -1.00 0.00 0.00 179.01 178.52 1hot h LYS 124 N 0.47 1.06 -0.31 2.33 3.11 -0.41 -1.70 116.57 121.14 1hot h LYS 124 Ca 0.08 -0.34 -0.05 0.00 -2.81 0.00 0.00 60.65 57.54 1hot h LYS 124 Cb 0.54 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.66 1hot h LYS 124 CO 0.03 1.04 0.01 0.82 -2.81 0.00 0.00 179.45 178.55 1hot h ILE 125 N 0.96 1.25 -0.84 2.00 2.04 -1.23 -3.13 117.51 118.57 1hot h ILE 125 Ca 0.17 -0.91 0.05 0.00 1.00 0.00 0.00 64.86 65.18 1hot h ILE 125 Cb 0.56 1.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 1hot h ILE 125 CO 0.03 0.29 0.52 -0.09 0.00 0.00 0.00 178.15 178.91 1hot h ARG 126 N 0.33 0.94 -0.05 2.37 9.65 -1.19 -1.30 114.38 125.14 1hot h ARG 126 Ca 0.09 -0.06 0.01 0.00 -1.10 0.00 0.00 59.98 58.93 1hot h ARG 126 Cb 0.41 -0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 28.78 1hot h ARG 126 CO 0.01 0.62 0.05 0.66 2.80 0.00 0.00 179.97 184.12 1hot h SER 127 N 0.97 0.00 0.79 -3.80 4.64 -1.25 0.37 113.55 115.26 1hot h SER 127 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1hot h SER 127 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1hot h SER 127 CO -0.16 0.00 -0.94 -1.22 -0.87 0.00 0.00 176.83 173.64 1hot n TYR 128 N -3.86 0.65 0.00 4.77 4.01 -0.56 -5.01 117.16 117.15 1hot n TYR 128 Ca -0.02 0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 1hot n TYR 128 Cb 0.14 -0.73 0.00 0.00 -0.31 0.00 0.00 39.34 38.44 1hot n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hot n GLY 129 N 1.27 2.13 3.37 2.72 0.00 0.13 -4.97 105.19 109.84 1hot n GLY 129 Ca 0.01 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 1hot n GLY 129 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hot s LYS 130 N 0.00 1.16 -0.19 1.61 -2.85 -1.26 -4.51 119.74 113.70 1hot s LYS 130 Ca 0.00 -0.70 -0.25 0.00 -1.00 0.00 0.00 55.97 54.02 1hot s LYS 130 Cb 0.00 0.50 -0.01 0.00 -2.06 0.00 0.00 37.83 36.25 1hot s LYS 130 CO 0.00 -0.47 0.81 0.42 0.10 0.00 0.00 175.35 176.20 1hot s ILE 131 N -3.81 4.89 0.18 3.79 1.01 -1.26 -4.67 121.20 121.32 1hot s ILE 131 Ca 0.04 1.56 -0.06 0.00 0.00 0.00 0.00 60.65 62.19 1hot s ILE 131 Cb 0.01 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1hot s ILE 131 CO -0.10 0.01 1.51 0.45 0.00 0.00 0.00 174.94 176.81 1hot h HIS 132 N 7.44 0.87 -2.66 3.97 3.86 -1.52 0.07 115.15 127.17 1hot h HIS 132 Ca -0.28 -0.28 -0.14 0.00 -1.16 0.00 0.00 60.37 58.52 1hot h HIS 132 Cb 1.12 -0.18 -0.29 0.00 1.06 0.00 0.00 27.41 29.13 1hot h HIS 132 CO 0.73 1.04 -0.40 -1.17 0.86 0.00 0.00 177.93 178.99 1hot s LEU 133 N -8.61 -0.36 -0.28 2.43 2.96 -1.19 -2.23 118.68 111.40 1hot s LEU 133 Ca -0.09 0.84 -0.05 0.00 -0.22 0.00 0.00 54.13 54.61 1hot s LEU 133 Cb 0.11 1.15 0.01 0.00 0.50 0.00 0.00 46.19 47.96 1hot s LEU 133 CO 0.86 -0.22 0.03 0.12 -1.32 0.00 0.00 176.35 175.81 1hot s PHE 134 N 2.20 3.12 0.07 5.38 2.19 0.08 -1.29 117.98 129.73 1hot s PHE 134 Ca -0.03 -1.19 -0.12 0.00 0.33 0.00 0.00 56.93 55.92 1hot s PHE 134 Cb -0.11 -2.18 -0.06 0.00 -1.31 0.00 0.00 43.02 39.36 1hot s PHE 134 CO -0.11 -0.63 0.43 1.41 1.83 0.00 0.00 175.22 178.15 1hot s MET 135 N 1.44 3.85 0.38 10.12 -2.45 -0.37 -1.03 119.30 131.23 1hot s MET 135 Ca 0.02 0.30 -0.14 0.00 -1.25 0.00 0.00 55.69 54.62 1hot s MET 135 Cb -0.17 -3.05 0.05 0.00 1.25 0.00 0.00 34.83 32.91 1hot s MET 135 CO -0.00 0.58 0.74 0.20 1.05 0.00 0.00 175.02 177.59 1hot s GLY 136 N -1.57 0.54 0.00 2.11 0.00 0.22 -3.76 107.32 104.86 1hot s GLY 136 Ca 0.31 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 44.17 1hot s GLY 136 CO 0.17 -0.41 0.00 0.61 0.00 0.00 0.00 173.10 173.47 1hot n GLY 137 N -0.54 5.81 3.00 0.20 0.00 -1.26 -0.55 105.19 111.86 1hot n GLY 137 Ca -0.07 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.19 -0.01 0.68 1.61 0.11 -1.26 -4.63 120.40 116.72 1hot s VAL 138 Ca 0.00 0.02 -0.10 0.00 -2.93 0.00 0.00 61.98 58.97 1hot s VAL 138 Cb 0.00 -0.20 0.01 0.00 -1.53 0.00 0.00 36.38 34.66 1hot s VAL 138 CO 0.00 0.01 1.06 -0.83 -3.33 0.00 0.00 175.10 172.01 1hot s GLY 139 N 0.22 1.62 0.34 6.54 0.00 -0.03 -4.92 107.32 111.09 1hot s GLY 139 Ca -0.01 -0.39 0.06 0.00 0.00 0.00 0.00 44.72 44.38 1hot s GLY 139 CO -0.01 -0.04 1.91 3.43 0.00 0.00 0.00 173.10 178.39 1hot h ASN 140 N -0.55 0.72 -0.20 1.64 4.21 -1.90 0.30 115.58 119.80 1hot h ASN 140 Ca -0.45 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.08 1hot h ASN 140 Cb 1.25 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 38.32 1hot h ASN 140 CO 0.63 0.43 0.00 -0.90 -1.29 0.00 0.00 177.43 176.30 1hot n ASP 141 N -4.52 1.19 0.00 5.81 5.75 -1.26 -4.40 116.55 119.13 1hot n ASP 141 Ca 0.14 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 1hot n ASP 141 Cb 0.32 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1hot n ASP 141 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hot n GLY 142 N 0.90 0.72 3.77 6.12 0.00 0.09 -4.53 105.19 112.27 1hot n GLY 142 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.36 3.37 -0.16 1.61 -3.43 -1.26 -0.75 115.29 112.30 1hot s HIS 143 Ca 0.00 1.63 -0.04 0.00 -0.80 0.00 0.00 55.06 55.85 1hot s HIS 143 Cb 0.00 -3.33 -0.03 0.00 -1.43 0.00 0.00 32.58 27.79 1hot s HIS 143 CO 0.00 -0.87 -0.04 -1.50 -2.00 0.00 0.00 174.74 170.33 1hot s ILE 144 N -1.28 3.84 0.00 -5.38 2.07 -1.26 -0.85 121.20 118.34 1hot s ILE 144 Ca 0.49 -0.37 0.00 0.00 -1.41 0.00 0.00 60.65 59.36 1hot s ILE 144 Cb -0.31 -2.69 0.00 0.00 0.13 0.00 0.00 42.46 39.59 1hot s ILE 144 CO 0.40 0.48 0.00 0.00 -1.91 0.00 0.00 174.94 173.91 1hot n ALA 145 N 3.68 0.00 -1.32 1.50 0.00 -1.26 -1.59 120.51 121.51 1hot n ALA 145 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.02 1hot n ALA 145 Cb 0.52 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.12 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 6.35 2.83 -2.72 0.00 3.72 -1.26 -4.81 117.46 121.57 1hot n PHE 146 Ca 0.00 -2.14 -0.43 0.00 -0.05 0.00 0.00 57.45 54.83 1hot n PHE 146 Cb 0.00 -1.00 -0.00 0.00 -0.94 0.00 0.00 39.48 37.54 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 -1.69 6.88 0.97 4.37 0.01 -0.62 -4.90 114.94 119.96 1hot s ASN 147 Ca 0.57 -2.53 -0.11 0.00 -0.71 0.00 0.00 52.86 50.08 1hot s ASN 147 Cb 0.48 -2.51 0.18 0.00 0.41 0.00 0.00 41.25 39.80 1hot s ASN 147 CO 0.06 -1.05 1.10 -1.61 -1.51 0.00 0.00 177.10 174.09 1hot s GLU 148 N 3.34 0.60 0.20 -0.60 0.41 -1.26 -4.09 118.70 117.30 1hot s GLU 148 Ca 0.49 1.23 -0.31 0.00 -0.41 0.00 0.00 54.97 55.97 1hot s GLU 148 Cb 0.01 -1.70 -0.16 0.00 -1.78 0.00 0.00 34.13 30.50 1hot s GLU 148 CO 0.03 -2.82 0.97 -2.30 -0.49 0.00 0.00 175.26 170.66 1hot n PRO 149 N -4.33 0.90 -0.95 0.39 -0.02 -1.26 -1.70 135.00 128.04 1hot n PRO 149 Ca 0.09 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1hot n PRO 149 Cb 0.53 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 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 0.78 0.00 -2.37 3.55 0.00 0.60 -4.94 120.51 118.14 1hot n ALA 150 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.22 1hot n ALA 150 Cb 0.26 -0.44 -0.06 0.00 0.00 0.00 0.00 19.45 19.21 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 -2.88 6.85 0.26 0.00 0.01 -0.69 -5.03 113.70 112.22 1hot s SER 151 Ca 0.00 1.08 -0.30 0.00 1.31 0.00 0.00 55.95 58.04 1hot s SER 151 Cb 0.00 -2.29 -0.10 0.00 0.21 0.00 0.00 66.02 63.84 1hot s SER 151 CO 0.00 0.15 1.48 -0.55 0.41 0.00 0.00 173.24 174.73 1hot s SER 152 N -1.57 6.58 0.00 2.44 0.15 -1.26 -4.74 113.70 115.29 1hot s SER 152 Ca 0.35 2.74 0.15 0.00 0.70 0.00 0.00 55.95 59.89 1hot s SER 152 Cb -0.16 -2.63 0.88 0.00 -1.71 0.00 0.00 66.02 62.41 1hot s SER 152 CO 0.19 -0.76 1.38 0.18 1.20 0.00 0.00 173.24 175.43 1hot n LEU 153 N 2.30 0.00 -0.23 3.45 4.77 -1.26 -1.96 117.00 124.07 1hot n LEU 153 Ca 0.07 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.10 1hot n LEU 153 Cb 0.39 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.56 1hot n LEU 153 CO 0.61 0.00 0.43 0.00 -1.33 0.00 0.00 177.39 177.10 1hot n ALA 154 N -0.82 2.09 -1.64 -1.18 0.00 -1.26 -3.95 120.51 113.75 1hot n ALA 154 Ca 0.11 -1.81 -0.34 0.00 0.00 0.00 0.00 53.44 51.41 1hot n ALA 154 Cb 0.05 -0.39 0.02 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.91 5.53 0.14 0.00 1.04 -0.83 -4.47 113.70 113.20 1hot s SER 155 Ca 0.16 2.00 0.01 0.00 0.48 0.00 0.00 55.95 58.61 1hot s SER 155 Cb 0.14 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.72 1hot s SER 155 CO 0.02 -1.34 0.12 0.54 0.98 0.00 0.00 173.24 173.55 1hot n ARG 156 N -1.91 1.24 -2.09 4.02 5.12 -1.26 -0.92 116.66 120.86 1hot n ARG 156 Ca 0.10 -0.86 -0.42 0.00 -1.93 0.00 0.00 57.85 54.74 1hot n ARG 156 Cb 0.52 0.07 -0.03 0.00 -1.16 0.00 0.00 32.46 31.86 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 -0.58 3.09 0.23 0.55 2.01 -1.26 -2.35 115.64 117.33 1hot s THR 157 Ca 0.09 0.77 -0.21 0.00 0.31 0.00 0.00 61.69 62.66 1hot s THR 157 Cb -0.01 -3.50 0.07 0.00 0.01 0.00 0.00 72.50 69.08 1hot s THR 157 CO 0.06 0.06 0.98 0.00 -0.69 0.00 0.00 174.62 175.02 1hot s ARG 158 N 1.19 1.54 0.12 4.92 1.70 -0.50 -4.71 118.95 123.21 1hot s ARG 158 Ca 0.66 -0.98 -0.17 0.00 -0.47 0.00 0.00 55.73 54.77 1hot s ARG 158 Cb -0.39 0.43 -0.07 0.00 -0.57 0.00 0.00 34.95 34.35 1hot s ARG 158 CO 0.30 -0.72 0.58 -1.50 -1.08 0.00 0.00 175.30 172.88 1hot s ILE 159 N -2.24 4.77 0.03 4.99 2.07 -1.26 -1.30 121.20 128.26 1hot s ILE 159 Ca 0.20 1.05 0.02 0.00 -1.41 0.00 0.00 60.65 60.51 1hot s ILE 159 Cb -0.03 -3.82 -0.02 0.00 0.13 0.00 0.00 42.46 38.72 1hot s ILE 159 CO 0.07 0.37 -0.07 -0.54 -1.91 0.00 0.00 174.94 172.86 1hot s LYS 160 N -1.59 0.48 -0.22 3.50 -0.14 -0.17 -4.97 119.74 116.63 1hot s LYS 160 Ca 0.35 -0.56 -0.18 0.00 -1.36 0.00 0.00 55.97 54.21 1hot s LYS 160 Cb -0.17 -0.32 -0.03 0.00 -1.68 0.00 0.00 37.83 35.63 1hot s LYS 160 CO 0.19 0.07 0.51 0.99 -0.76 0.00 0.00 175.35 176.34 1hot s THR 161 N -0.96 5.10 0.28 2.17 2.01 -1.26 -1.68 115.64 121.30 1hot s THR 161 Ca -0.06 0.91 -0.29 0.00 0.31 0.00 0.00 61.69 62.55 1hot s THR 161 Cb -0.07 -3.83 -0.10 0.00 0.01 0.00 0.00 72.50 68.51 1hot s THR 161 CO 0.00 0.16 1.30 -0.76 -0.69 0.00 0.00 174.62 174.63 1hot s LEU 162 N 1.80 4.44 0.66 4.42 1.43 0.22 -4.94 118.68 126.71 1hot s LEU 162 Ca 0.23 2.56 -0.17 0.00 -1.03 0.00 0.00 54.13 55.72 1hot s LEU 162 Cb -0.15 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.44 1hot s LEU 162 CO 0.09 -0.50 1.19 -0.89 0.23 0.00 0.00 176.35 176.47 1hot s THR 163 N -0.69 2.57 0.24 5.49 2.01 -1.26 -4.89 115.64 119.11 1hot s THR 163 Ca 0.51 0.31 -0.06 0.00 0.31 0.00 0.00 61.69 62.76 1hot s THR 163 Cb -0.38 -2.96 0.24 0.00 0.01 0.00 0.00 72.50 69.41 1hot s THR 163 CO 0.47 -0.12 1.90 -0.74 -0.69 0.00 0.00 174.62 175.43 1hot h HIS 164 N 0.23 1.25 -0.76 4.92 2.76 -2.00 -2.36 115.15 119.20 1hot h HIS 164 Ca -0.49 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 57.63 1hot h HIS 164 Cb 1.29 -0.41 -0.03 0.00 1.55 0.00 0.00 27.41 29.80 1hot h HIS 164 CO 0.48 0.82 0.25 -0.44 -1.30 0.00 0.00 177.93 177.74 1hot h ASP 165 N 1.32 1.10 -0.63 3.26 3.32 -1.99 -1.14 116.42 121.65 1hot h ASP 165 Ca 0.35 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1hot h ASP 165 Cb -0.08 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.16 1hot h ASP 165 CO -0.07 1.00 0.37 0.74 -1.72 0.00 0.00 179.24 179.57 1hot h THR 166 N 1.13 1.19 -0.30 0.35 2.02 -1.82 0.86 112.91 116.33 1hot h THR 166 Ca 0.25 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1hot h THR 166 Cb 0.29 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1hot h THR 166 CO -0.01 0.20 0.14 0.03 0.37 0.00 0.00 175.52 176.25 1hot h ARG 167 N 0.86 0.44 -0.81 6.66 3.08 -1.07 0.19 114.38 123.74 1hot h ARG 167 Ca 0.23 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.22 1hot h ARG 167 Cb -0.00 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 1hot h ARG 167 CO -0.04 0.42 0.53 0.28 -1.07 0.00 0.00 179.97 180.09 1hot h VAL 168 N 0.35 1.20 -0.62 2.04 2.07 -0.93 0.53 116.25 120.90 1hot h VAL 168 Ca 0.10 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1hot h VAL 168 Cb 0.13 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.89 1hot h VAL 168 CO -0.01 0.20 0.21 0.00 0.02 0.00 0.00 177.57 177.99 1hot h ALA 169 N 1.30 0.81 0.00 1.67 0.00 -0.33 -2.63 119.26 120.08 1hot h ALA 169 Ca 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1hot h ALA 169 Cb -0.12 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1hot h ALA 169 CO -0.07 0.45 0.00 0.09 0.00 0.00 0.00 179.25 179.73 1hot n ASN 170 N -4.41 0.06 0.10 0.00 4.13 0.62 -3.46 115.26 112.31 1hot n ASN 170 Ca 0.04 0.51 0.07 0.00 1.68 0.00 0.00 54.58 56.87 1hot n ASN 170 Cb 0.19 -0.52 0.37 0.00 -1.54 0.00 0.00 39.78 38.28 1hot n ASN 170 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1hot n SER 171 N -1.56 0.35 -0.17 6.41 3.41 0.12 -1.53 113.62 120.65 1hot n SER 171 Ca 0.07 0.66 -0.01 0.00 -0.26 0.00 0.00 58.87 59.32 1hot n SER 171 Cb 0.33 -0.70 0.08 0.00 -0.26 0.00 0.00 64.21 63.66 1hot n SER 171 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1hot h ARG 172 N 0.00 0.16 0.00 4.33 3.08 -1.74 0.76 114.38 120.96 1hot h ARG 172 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1hot h ARG 172 Cb 0.02 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1hot h ARG 172 CO 0.00 0.10 0.00 1.19 -1.07 0.00 0.00 179.97 180.19 1hot n PHE 173 N -5.20 0.00 -2.13 3.04 3.72 -0.58 -3.46 117.46 112.85 1hot n PHE 173 Ca 0.07 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.17 1hot n PHE 173 Cb 0.29 -0.48 0.02 0.00 -0.94 0.00 0.00 39.48 38.37 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 -1.48 3.14 -4.19 1.38 3.01 -0.16 -4.89 117.46 114.26 1hot n PHE 174 Ca 0.07 -2.72 -0.34 0.00 1.01 0.00 0.00 57.45 55.47 1hot n PHE 174 Cb 0.31 -0.50 -0.04 0.00 -0.01 0.00 0.00 39.48 39.24 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 -0.60 -2.13 -2.02 4.37 8.00 -1.18 -1.10 116.55 121.89 1hot n ASP 175 Ca 0.46 -1.05 -0.20 0.00 0.71 0.00 0.00 54.79 54.70 1hot n ASP 175 Cb 0.67 -2.64 -0.05 0.00 -0.02 0.00 0.00 41.12 39.08 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 -2.74 -5.62 -4.21 -2.24 4.13 0.25 -4.97 115.26 99.85 1hot n ASN 176 Ca -0.05 0.24 -0.38 0.00 1.68 0.00 0.00 54.58 56.07 1hot n ASN 176 Cb 0.55 -4.82 -0.11 0.00 -1.54 0.00 0.00 39.78 33.87 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 -2.37 5.41 0.45 6.41 -1.08 -0.26 -4.94 116.67 120.29 1hot s ASP 177 Ca 0.00 -1.64 0.13 0.00 -0.52 0.00 0.00 52.55 50.51 1hot s ASP 177 Cb 0.00 -1.90 1.04 0.00 -1.46 0.00 0.00 42.92 40.60 1hot s ASP 177 CO 0.00 -0.50 2.04 0.58 0.52 0.00 0.00 175.17 177.81 1hot h VAL 178 N 6.23 0.98 0.00 1.11 2.07 -1.87 -0.74 116.25 124.03 1hot h VAL 178 Ca -0.19 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1hot h VAL 178 Cb 1.07 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1hot h VAL 178 CO 0.71 0.07 0.00 0.78 0.02 0.00 0.00 177.57 179.14 1hot h ASN 179 N 0.36 0.00 0.27 0.57 2.35 -1.95 -1.50 115.58 115.69 1hot h ASN 179 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1hot h ASN 179 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1hot h ASN 179 CO -0.04 0.00 -0.95 0.00 -1.65 0.00 0.00 177.43 174.79 1hot n GLN 180 N -2.61 0.14 -2.66 0.81 6.02 -0.28 -4.91 117.38 113.89 1hot n GLN 180 Ca -0.01 -0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.55 1hot n GLN 180 Cb 0.12 -1.54 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 1hot n GLN 180 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1hot s VAL 181 N -3.10 4.71 0.32 5.09 1.01 -0.57 -4.99 120.40 122.88 1hot s VAL 181 Ca 0.06 1.96 -0.29 0.00 0.00 0.00 0.00 61.98 63.72 1hot s VAL 181 Cb 0.16 -4.26 -0.13 0.00 0.00 0.00 0.00 36.38 32.15 1hot s VAL 181 CO 0.81 0.08 1.30 -2.65 0.00 0.00 0.00 175.10 174.64 1hot n PRO 182 N 4.44 2.06 0.12 2.72 -0.02 -1.26 -4.90 135.00 138.16 1hot n PRO 182 Ca 0.08 0.73 0.13 0.00 -2.02 0.00 0.00 63.50 62.41 1hot n PRO 182 Cb 0.49 -2.31 0.38 0.00 -0.02 0.00 0.00 33.50 32.05 1hot n PRO 182 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1hot h LYS 183 N 2.84 0.00 -4.76 -0.52 1.57 -1.94 -3.46 116.57 110.29 1hot h LYS 183 Ca -0.45 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.05 1hot h LYS 183 Cb 1.28 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.45 1hot h LYS 183 CO 0.65 0.00 -0.67 0.71 -0.57 0.00 0.00 179.45 179.57 1hot s TYR 184 N -3.12 1.14 -0.04 -1.35 2.02 -1.26 -0.61 117.35 114.13 1hot s TYR 184 Ca 0.10 -1.01 -0.27 0.00 -0.37 0.00 0.00 57.07 55.53 1hot s TYR 184 Cb 0.11 -0.65 0.06 0.00 -0.40 0.00 0.00 41.96 41.08 1hot s TYR 184 CO 0.60 -0.21 0.58 0.00 -1.57 0.00 0.00 175.55 174.95 1hot s ALA 185 N -3.67 -1.51 -0.08 3.71 0.00 -0.68 -1.07 121.76 118.46 1hot s ALA 185 Ca 0.22 1.07 -0.19 0.00 0.00 0.00 0.00 51.96 53.06 1hot s ALA 185 Cb 0.06 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 1hot s ALA 185 CO 0.02 -0.34 0.53 -0.51 0.00 0.00 0.00 175.76 175.46 1hot s LEU 186 N -1.20 4.32 -0.00 0.00 1.02 0.33 -1.00 118.68 122.14 1hot s LEU 186 Ca -0.11 0.94 -0.09 0.00 0.02 0.00 0.00 54.13 54.88 1hot s LEU 186 Cb -0.01 -2.78 0.01 0.00 0.02 0.00 0.00 46.19 43.42 1hot s LEU 186 CO 0.08 0.02 0.18 0.28 0.02 0.00 0.00 176.35 176.93 1hot s THR 187 N 0.41 0.07 0.45 5.49 -1.32 -0.42 -1.06 115.64 119.27 1hot s THR 187 Ca 0.28 -0.61 -0.22 0.00 -1.21 0.00 0.00 61.69 59.93 1hot s THR 187 Cb -0.16 -0.47 -0.08 0.00 -1.51 0.00 0.00 72.50 70.28 1hot s THR 187 CO 0.13 -0.33 1.08 0.68 -2.21 0.00 0.00 174.62 173.96 1hot s VAL 188 N -1.30 3.54 0.75 5.08 -7.23 0.12 -1.41 120.40 119.93 1hot s VAL 188 Ca -0.14 1.09 -0.08 0.00 -1.81 0.00 0.00 61.98 61.04 1hot s VAL 188 Cb -0.07 -3.52 0.08 0.00 0.56 0.00 0.00 36.38 33.43 1hot s VAL 188 CO 0.02 -0.08 1.07 -0.83 -0.31 0.00 0.00 175.10 174.97 1hot s GLY 189 N -1.65 1.68 0.21 2.32 0.00 -0.99 -4.73 107.32 104.16 1hot s GLY 189 Ca 0.63 -0.93 -0.10 0.00 0.00 0.00 0.00 44.72 44.32 1hot s GLY 189 CO 0.27 -0.47 1.88 -2.08 0.00 0.00 0.00 173.10 172.70 1hot h VAL 190 N -0.77 1.20 -0.04 1.40 2.07 -1.70 -1.05 116.25 117.36 1hot h VAL 190 Ca -0.44 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.66 1hot h VAL 190 Cb 1.31 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1hot h VAL 190 CO 0.59 0.19 -0.21 1.23 0.02 0.00 0.00 177.57 179.39 1hot h GLY 191 N 1.02 0.07 0.97 2.17 0.00 -1.15 0.11 103.07 106.27 1hot h GLY 191 Ca 0.28 -0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.50 1hot h GLY 191 CO -0.06 0.04 0.08 -0.84 0.00 0.00 0.00 176.54 175.77 1hot h THR 192 N 0.06 1.25 -0.30 4.70 2.02 -1.19 -2.11 112.91 117.35 1hot h THR 192 Ca 0.01 -0.90 -0.15 0.00 0.77 0.00 0.00 66.41 66.14 1hot h THR 192 Cb 0.41 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1hot h THR 192 CO 0.03 0.32 -0.41 -0.07 0.37 0.00 0.00 175.52 175.76 1hot h LEU 193 N 0.64 0.88 -2.46 2.58 3.38 -0.74 -2.96 115.31 116.63 1hot h LEU 193 Ca 0.14 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 1hot h LEU 193 Cb 0.38 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1hot h LEU 193 CO 0.01 1.21 -0.02 -0.07 0.09 0.00 0.00 178.44 179.66 1hot h LEU 194 N 0.58 0.00 -0.20 1.67 3.38 -0.61 -0.61 115.31 119.51 1hot h LEU 194 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1hot h LEU 194 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1hot h LEU 194 CO 0.10 0.02 0.00 0.47 0.09 0.00 0.00 178.44 179.12 1hot n ASP 195 N -3.66 0.56 -4.77 -0.43 8.00 -0.81 -4.82 116.55 110.63 1hot n ASP 195 Ca -0.03 0.58 -0.34 0.00 0.71 0.00 0.00 54.79 55.71 1hot n ASP 195 Cb 0.11 -0.72 0.03 0.00 -0.02 0.00 0.00 41.12 40.51 1hot n ASP 195 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hot s ALA 196 N -3.14 2.56 0.10 2.24 0.00 -0.24 -4.65 121.76 118.64 1hot s ALA 196 Ca 0.09 0.75 -0.15 0.00 0.00 0.00 0.00 51.96 52.64 1hot s ALA 196 Cb 0.12 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.82 1hot s ALA 196 CO 0.50 -1.06 1.49 1.49 0.00 0.00 0.00 175.76 178.18 1hot h GLU 197 N 0.65 0.65 -3.84 0.00 4.81 -1.08 -3.45 114.58 112.33 1hot h GLU 197 Ca -0.49 -0.27 -0.22 0.00 -0.13 0.00 0.00 59.36 58.26 1hot h GLU 197 Cb 1.26 -0.03 -0.26 0.00 0.63 0.00 0.00 28.75 30.35 1hot h GLU 197 CO 0.55 0.85 -0.72 -2.00 -0.73 0.00 0.00 179.01 176.96 1hot s GLU 198 N -4.71 0.12 -0.09 1.92 2.12 -0.95 -4.53 118.70 112.58 1hot s GLU 198 Ca -0.13 -0.19 0.02 0.00 0.36 0.00 0.00 54.97 55.04 1hot s GLU 198 Cb 0.09 0.00 0.01 0.00 0.26 0.00 0.00 34.13 34.49 1hot s GLU 198 CO 0.80 -0.01 -0.16 0.08 -0.54 0.00 0.00 175.26 175.43 1hot s VAL 199 N -0.42 1.50 -0.23 3.70 1.01 -0.44 -0.74 120.40 124.78 1hot s VAL 199 Ca -0.04 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1hot s VAL 199 Cb -0.03 -1.34 0.05 0.00 0.00 0.00 0.00 36.38 35.06 1hot s VAL 199 CO -0.00 0.44 -0.09 -0.32 0.00 0.00 0.00 175.10 175.13 1hot s MET 200 N 0.70 1.94 -0.17 2.72 1.75 -0.19 -0.80 119.30 125.24 1hot s MET 200 Ca -0.13 -1.04 -0.07 0.00 -1.25 0.00 0.00 55.69 53.20 1hot s MET 200 Cb -0.16 -2.62 -0.04 0.00 2.84 0.00 0.00 34.83 34.85 1hot s MET 200 CO 0.03 -0.53 0.07 0.42 -0.65 0.00 0.00 175.02 174.36 1hot s ILE 201 N 1.32 4.84 -0.20 10.11 -1.09 0.30 -0.61 121.20 135.87 1hot s ILE 201 Ca -0.05 -0.02 -0.13 0.00 -2.23 0.00 0.00 60.65 58.23 1hot s ILE 201 Cb -0.18 -3.17 -0.05 0.00 -1.58 0.00 0.00 42.46 37.48 1hot s ILE 201 CO -0.07 0.48 0.24 -0.76 -1.23 0.00 0.00 174.94 173.61 1hot s LEU 202 N 0.20 4.18 -0.19 2.97 1.02 0.29 -0.36 118.68 126.78 1hot s LEU 202 Ca 0.05 0.34 0.01 0.00 0.02 0.00 0.00 54.13 54.54 1hot s LEU 202 Cb -0.12 -2.27 0.03 0.00 0.02 0.00 0.00 46.19 43.85 1hot s LEU 202 CO 0.00 0.07 -0.14 -0.69 0.02 0.00 0.00 176.35 175.61 1hot s VAL 203 N 0.81 1.83 -0.04 -1.59 1.01 0.52 -4.01 120.40 118.93 1hot s VAL 203 Ca 0.13 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1hot s VAL 203 Cb -0.13 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.48 1hot s VAL 203 CO 0.04 0.32 -0.07 -0.76 0.00 0.00 0.00 175.10 174.63 1hot s LEU 204 N 1.34 1.52 0.00 3.92 1.43 -1.26 -2.48 118.68 123.15 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 -0.53 0.00 0.00 0.03 0.00 0.00 46.19 45.54 1hot s LEU 204 CO -0.10 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.09 1hot n GLY 205 N 3.79 -0.03 0.30 -3.19 0.00 -1.26 -4.57 105.19 100.23 1hot n GLY 205 Ca -0.23 -1.56 0.14 0.00 0.00 0.00 0.00 46.02 44.37 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 0.20 1.61 4.64 -1.96 -2.08 113.55 115.97 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 0.00 -0.01 1.56 -0.87 0.00 0.00 176.83 177.51 1hot h GLN 207 N 0.00 0.00 -0.03 4.77 4.20 -1.89 -1.53 115.11 120.64 1hot h GLN 207 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1hot h GLN 207 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1hot h GLN 207 CO -0.00 0.01 -0.04 1.63 -0.67 0.00 0.00 178.83 179.76 1hot n LYS 208 N -3.22 2.19 -0.24 1.46 4.76 -0.78 -4.57 118.16 117.76 1hot n LYS 208 Ca -0.02 -1.79 0.03 0.00 -2.87 0.00 0.00 58.31 53.66 1hot n LYS 208 Cb 0.13 -1.46 0.15 0.00 -1.84 0.00 0.00 35.03 32.01 1hot n LYS 208 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1hot h ALA 209 N 4.62 0.96 -0.17 7.82 0.00 -1.37 -0.33 119.26 130.78 1hot h ALA 209 Ca 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1hot h ALA 209 Cb 0.95 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1hot h ALA 209 CO 0.00 -0.17 -0.35 -0.07 0.00 0.00 0.00 179.25 178.65 1hot h LEU 210 N 0.46 0.37 -0.55 0.00 3.38 -1.80 -2.21 115.31 114.96 1hot h LEU 210 Ca 0.37 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 58.04 1hot h LEU 210 Cb 0.50 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1hot h LEU 210 CO -0.35 0.70 -0.50 0.00 0.09 0.00 0.00 178.44 178.38 1hot h ALA 211 N 1.32 0.73 -0.46 1.53 0.00 -1.49 -1.85 119.26 119.04 1hot h ALA 211 Ca 0.03 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 1hot h ALA 211 Cb 0.77 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1hot h ALA 211 CO 0.06 0.68 -0.12 1.25 0.00 0.00 0.00 179.25 181.12 1hot h LEU 212 N 0.46 0.90 -0.65 0.00 6.46 -0.83 -1.10 115.31 120.55 1hot h LEU 212 Ca 0.02 -0.36 -0.08 0.00 -0.12 0.00 0.00 57.88 57.33 1hot h LEU 212 Cb 1.04 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.70 1hot h LEU 212 CO 0.10 1.05 0.08 -0.61 -0.62 0.00 0.00 178.44 178.44 1hot h GLN 213 N 0.73 1.09 -0.75 1.25 4.15 -1.33 0.24 115.11 120.48 1hot h GLN 213 Ca 0.12 -0.31 -0.02 0.00 0.77 0.00 0.00 58.65 59.20 1hot h GLN 213 Cb 0.66 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 1hot h GLN 213 CO 0.05 1.02 0.38 0.00 -1.93 0.00 0.00 178.83 178.34 1hot h ALA 214 N 1.03 0.96 -0.10 3.38 0.00 -1.11 0.43 119.26 123.86 1hot h ALA 214 Ca 0.19 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1hot h ALA 214 Cb 0.47 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1hot h ALA 214 CO 0.02 0.51 -0.07 0.00 0.00 0.00 0.00 179.25 179.70 1hot h ALA 215 N 1.19 0.15 0.00 0.00 0.00 -0.85 -2.25 119.26 117.50 1hot h ALA 215 Ca 0.26 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1hot h ALA 215 Cb 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1hot h ALA 215 CO -0.04 -0.05 -0.42 0.28 0.00 0.00 0.00 179.25 179.02 1hot h VAL 216 N -0.15 1.51 -0.01 0.00 2.07 -0.39 -3.40 116.25 115.88 1hot h VAL 216 Ca 0.02 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.24 1hot h VAL 216 Cb 0.56 3.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 1hot h VAL 216 CO 0.02 0.52 -0.53 -0.62 0.02 0.00 0.00 177.57 176.97 1hot n GLU 217 N -4.54 1.42 -2.29 1.57 1.02 0.14 -5.00 120.64 112.95 1hot n GLU 217 Ca -0.17 -0.59 -0.27 0.00 -0.02 0.00 0.00 57.16 56.12 1hot n GLU 217 Cb 0.55 -1.34 0.15 0.00 -0.02 0.00 0.00 31.44 30.78 1hot n GLU 217 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1hot s GLY 218 N -2.29 1.77 0.41 0.62 0.00 -0.31 -4.97 107.32 102.55 1hot s GLY 218 Ca 0.12 -1.55 0.02 0.00 0.00 0.00 0.00 44.72 43.32 1hot s GLY 218 CO 0.55 -0.86 0.60 0.00 0.00 0.00 0.00 173.10 173.39 1hot s VAL 220 N -2.43 3.77 0.13 0.00 1.01 -1.26 -4.89 120.40 116.73 1hot s VAL 220 Ca 0.47 1.11 -0.21 0.00 0.00 0.00 0.00 61.98 63.35 1hot s VAL 220 Cb -0.10 -3.71 0.05 0.00 0.00 0.00 0.00 36.38 32.63 1hot s VAL 220 CO 0.36 -0.02 0.52 0.54 0.00 0.00 0.00 175.10 176.49 1hot s ASN 221 N 2.06 -0.43 0.00 3.32 2.20 -1.26 -5.06 114.94 115.77 1hot s ASN 221 Ca 0.64 -0.07 0.27 0.00 -0.94 0.00 0.00 52.86 52.76 1hot s ASN 221 Cb -0.30 0.54 0.91 0.00 -2.00 0.00 0.00 41.25 40.39 1hot s ASN 221 CO 0.25 -0.88 1.66 0.00 -2.94 0.00 0.00 177.10 175.19 1hot n HIS 222 N -0.19 0.00 0.09 1.54 1.44 -1.26 -3.81 115.22 113.03 1hot n HIS 222 Ca -0.17 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.39 1hot n HIS 222 Cb 0.64 -0.05 -0.08 0.00 0.12 0.00 0.00 29.99 30.61 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 1.87 0.36 -3.32 -1.40 2.86 -1.92 0.17 114.93 113.55 1hot h MET 223 Ca 0.00 -0.46 -0.66 0.00 -2.06 0.00 0.00 59.70 56.52 1hot h MET 223 Cb 0.51 0.15 -0.39 0.00 0.06 0.00 0.00 31.60 31.93 1hot h MET 223 CO 0.00 1.16 -0.48 -1.58 1.06 0.00 0.00 176.91 177.07 1hot s TRP 224 N -3.01 3.45 0.66 -0.22 0.52 -1.25 -4.08 118.94 115.02 1hot s TRP 224 Ca -0.05 -3.11 0.42 0.00 0.02 0.00 0.00 56.10 53.37 1hot s TRP 224 Cb 0.08 -2.93 2.28 0.00 -1.15 0.00 0.00 33.47 31.76 1hot s TRP 224 CO 0.88 -0.70 2.30 1.79 0.02 0.00 0.00 176.95 181.24 1hot h THR 225 N 4.90 0.03 0.00 2.01 1.35 -1.67 -1.26 112.91 118.28 1hot h THR 225 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 1hot h THR 225 Cb 0.85 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1hot h THR 225 CO 0.73 0.00 0.00 -0.29 -0.25 0.00 0.00 175.52 175.71 1hot h ILE 226 N 0.00 0.00 0.00 6.82 6.09 -1.25 -1.61 117.51 127.56 1hot h ILE 226 Ca 0.00 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.39 1hot h ILE 226 Cb 0.11 0.77 0.00 0.00 0.47 0.00 0.00 36.82 38.17 1hot h ILE 226 CO -0.00 0.00 0.00 -1.54 -3.07 0.00 0.00 178.15 173.54 1hot n SER 227 N -2.45 0.00 0.28 2.19 3.41 -0.47 -2.63 113.62 113.94 1hot n SER 227 Ca -0.01 0.50 0.15 0.00 -0.26 0.00 0.00 58.87 59.26 1hot n SER 227 Cb 0.11 -0.50 0.79 0.00 -0.26 0.00 0.00 64.21 64.36 1hot n SER 227 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hot h LEU 229 N 0.00 0.00 -1.83 0.00 3.38 -1.75 -0.68 115.31 114.43 1hot h LEU 229 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hot h LEU 229 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1hot h LEU 229 CO 0.01 0.00 0.00 1.56 0.09 0.00 0.00 178.44 180.10 1hot h GLN 230 N 0.00 0.00 -0.00 1.13 4.20 -1.71 -1.30 115.11 117.42 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 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1hot h GLN 230 CO 0.00 0.00 -0.73 1.28 -0.67 0.00 0.00 178.83 178.71 1hot n LEU 231 N -3.04 0.96 -4.72 1.46 4.77 -0.27 -4.90 117.00 111.26 1hot n LEU 231 Ca -0.00 -0.35 -0.39 0.00 -0.03 0.00 0.00 56.01 55.24 1hot n LEU 231 Cb 0.24 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 1hot n LEU 231 CO 0.25 0.22 0.26 -2.28 -1.33 0.00 0.00 177.39 174.51 1hot s HIS 232 N -2.90 3.55 -0.92 -1.77 2.46 -0.49 -4.97 115.29 110.25 1hot s HIS 232 Ca 0.11 1.04 0.15 0.00 0.47 0.00 0.00 55.06 56.83 1hot s HIS 232 Cb 0.17 -2.65 0.62 0.00 -0.13 0.00 0.00 32.58 30.59 1hot s HIS 232 CO 0.76 0.15 1.46 -0.35 -2.47 0.00 0.00 174.74 174.29 1hot n PRO 233 N 3.65 0.03 -3.02 2.88 -0.04 -1.26 -4.21 135.00 133.02 1hot n PRO 233 Ca -0.05 0.30 -0.16 0.00 -0.04 0.00 0.00 63.50 63.55 1hot n PRO 233 Cb 0.51 -1.56 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 1hot n PRO 233 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1hot n LYS 234 N -1.61 0.56 -4.64 0.54 4.81 -1.26 -4.89 118.16 111.67 1hot n LYS 234 Ca 0.03 -2.54 -0.31 0.00 -0.87 0.00 0.00 58.31 54.61 1hot n LYS 234 Cb 0.16 -1.45 -0.12 0.00 0.02 0.00 0.00 35.03 33.64 1hot n LYS 234 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1hot s ALA 235 N 0.09 2.72 -0.01 3.14 0.00 -1.26 -1.33 121.76 125.11 1hot s ALA 235 Ca 0.33 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1hot s ALA 235 Cb 0.11 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.36 1hot s ALA 235 CO -0.15 0.58 -0.04 0.42 0.00 0.00 0.00 175.76 176.57 1hot s ILE 236 N -0.92 0.36 -0.14 0.00 1.01 0.02 -1.16 121.20 120.37 1hot s ILE 236 Ca 0.15 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.67 1hot s ILE 236 Cb -0.11 -0.34 0.01 0.00 0.01 0.00 0.00 42.46 42.04 1hot s ILE 236 CO 0.05 0.12 -0.21 -0.04 0.00 0.00 0.00 174.94 174.87 1hot s MET 237 N 0.17 2.94 -0.25 2.79 -1.94 -0.07 -0.54 119.30 122.40 1hot s MET 237 Ca -0.02 -0.82 -0.07 0.00 -1.71 0.00 0.00 55.69 53.07 1hot s MET 237 Cb -0.05 -2.41 -0.03 0.00 2.01 0.00 0.00 34.83 34.35 1hot s MET 237 CO -0.00 -0.06 0.07 0.08 -0.01 0.00 0.00 175.02 175.10 1hot s VAL 238 N 0.92 4.29 0.27 -6.03 1.01 0.51 -0.44 120.40 120.93 1hot s VAL 238 Ca -0.05 -0.18 0.09 0.00 0.00 0.00 0.00 61.98 61.84 1hot s VAL 238 Cb -0.15 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 1hot s VAL 238 CO -0.04 0.34 -0.12 0.00 0.00 0.00 0.00 175.10 175.28 1hot n ASP 240 N -0.58 0.53 0.02 0.00 5.75 -1.04 -0.32 116.55 120.91 1hot n ASP 240 Ca -0.06 -1.00 -0.12 0.00 -0.01 0.00 0.00 54.79 53.60 1hot n ASP 240 Cb 0.62 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.62 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 -0.12 -0.30 0.11 4.81 -1.15 -3.33 114.58 114.60 1hot h GLU 241 Ca 0.00 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.32 1hot h GLU 241 Cb 0.00 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1hot h GLU 241 CO 0.00 0.40 0.24 -1.35 -0.73 0.00 0.00 179.01 177.57 1hot h PRO 242 N -0.74 0.00 0.00 0.92 0.11 -1.89 -2.29 132.00 128.10 1hot h PRO 242 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1hot h PRO 242 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1hot h PRO 242 CO 0.02 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.68 1hot n SER 243 N -4.25 0.00 -0.81 -2.05 3.41 -1.25 -3.23 113.62 105.44 1hot n SER 243 Ca 0.04 0.44 0.11 0.00 -0.26 0.00 0.00 58.87 59.21 1hot n SER 243 Cb 0.40 -0.48 0.07 0.00 -0.26 0.00 0.00 64.21 63.94 1hot n SER 243 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1hot n THR 244 N -1.48 0.00 0.26 6.66 -2.24 -0.86 -4.24 114.28 112.38 1hot n THR 244 Ca 0.07 -0.44 0.17 0.00 -2.27 0.00 0.00 64.05 61.57 1hot n THR 244 Cb 0.28 1.42 0.91 0.00 -2.10 0.00 0.00 70.33 70.84 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 3.99 0.00 -0.02 -0.78 2.86 -1.65 -1.98 114.93 117.35 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 0.90 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.56 1hot h MET 245 CO 0.00 0.00 -0.11 0.39 1.06 0.00 0.00 176.91 178.25 1hot n GLU 246 N -3.66 1.48 -1.94 1.72 -0.58 -1.26 -4.94 120.64 111.46 1hot n GLU 246 Ca -0.01 -0.97 -0.31 0.00 -0.42 0.00 0.00 57.16 55.46 1hot n GLU 246 Cb 0.22 -1.48 0.01 0.00 -0.57 0.00 0.00 31.44 29.62 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 -2.18 3.27 0.43 -4.62 1.43 -0.75 -4.90 118.68 111.37 1hot s LEU 247 Ca 0.31 1.40 -0.22 0.00 -1.03 0.00 0.00 54.13 54.59 1hot s LEU 247 Cb 0.20 -4.43 -0.09 0.00 0.03 0.00 0.00 46.19 41.89 1hot s LEU 247 CO 0.40 -0.84 1.01 -0.54 0.23 0.00 0.00 176.35 176.61 1hot s LYS 248 N -5.10 4.08 0.22 1.70 1.02 -1.26 -4.95 119.74 115.45 1hot s LYS 248 Ca 0.55 1.33 -0.08 0.00 0.02 0.00 0.00 55.97 57.79 1hot s LYS 248 Cb -0.11 -2.30 0.32 0.00 -0.52 0.00 0.00 37.83 35.23 1hot s LYS 248 CO 0.52 -0.18 1.75 0.28 -0.92 0.00 0.00 175.35 176.80 1hot h VAL 249 N 1.91 0.77 -0.99 3.17 2.07 -1.97 -1.74 116.25 119.46 1hot h VAL 249 Ca -0.49 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1hot h VAL 249 Cb 1.21 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1hot h VAL 249 CO 0.61 0.08 0.66 0.07 0.02 0.00 0.00 177.57 179.01 1hot h LYS 250 N 0.46 1.30 -0.06 1.57 2.10 -1.99 -0.53 116.57 119.43 1hot h LYS 250 Ca 0.34 -0.08 -0.00 0.00 -2.00 0.00 0.00 60.65 58.91 1hot h LYS 250 Cb 0.42 -0.29 -0.00 0.00 -0.90 0.00 0.00 32.23 31.45 1hot h LYS 250 CO -0.31 0.86 0.03 1.15 -2.00 0.00 0.00 179.45 179.18 1hot h THR 251 N 1.34 1.06 -0.43 0.07 2.02 -1.72 -0.94 112.91 114.30 1hot h THR 251 Ca 0.37 -0.15 -0.10 0.00 0.77 0.00 0.00 66.41 67.29 1hot h THR 251 Cb -0.15 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1hot h THR 251 CO -0.08 0.05 -0.15 0.25 0.37 0.00 0.00 175.52 175.96 1hot h LEU 252 N 0.03 0.81 -0.56 2.58 5.85 -1.24 -2.35 115.31 120.43 1hot h LEU 252 Ca 0.02 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.49 1hot h LEU 252 Cb 0.05 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1hot h LEU 252 CO -0.00 0.96 0.36 -0.09 -0.34 0.00 0.00 178.44 179.33 1hot h ARG 253 N 0.72 0.70 0.29 1.25 2.43 -0.81 0.14 114.38 119.10 1hot h ARG 253 Ca 0.11 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1hot h ARG 253 Cb 0.65 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1hot h ARG 253 CO 0.05 0.46 -0.18 -0.92 -1.51 0.00 0.00 179.97 177.87 1hot h TYR 254 N 0.72 -0.47 -0.23 2.20 3.20 -0.95 -1.47 116.97 119.97 1hot h TYR 254 Ca 0.21 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 1hot h TYR 254 Cb -0.05 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1hot h TYR 254 CO -0.04 -0.28 0.01 0.74 -1.64 0.00 0.00 178.16 176.95 1hot h PHE 255 N -0.45 0.34 -0.44 -3.82 0.04 -1.09 -1.70 116.94 109.81 1hot h PHE 255 Ca -0.03 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.64 1hot h PHE 255 Cb 0.38 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 1hot h PHE 255 CO -0.09 0.35 -0.03 -0.91 -0.60 0.00 0.00 178.31 177.03 1hot h ASN 256 N 0.34 0.79 -0.56 2.17 2.35 -0.36 -1.67 115.58 118.64 1hot h ASN 256 Ca 0.08 -0.32 -0.07 0.00 -0.55 0.00 0.00 56.30 55.44 1hot h ASN 256 Cb 0.21 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1hot h ASN 256 CO 0.00 0.92 0.09 -0.33 -1.65 0.00 0.00 177.43 176.47 1hot h GLU 257 N 0.64 0.92 -0.12 0.81 5.08 -0.91 -2.46 114.58 118.54 1hot h GLU 257 Ca 0.12 -0.25 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1hot h GLU 257 Cb 0.53 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1hot h GLU 257 CO 0.03 0.88 0.01 1.25 -1.00 0.00 0.00 179.01 180.18 1hot h LEU 258 N 0.81 -0.02 -2.41 1.33 5.85 -1.12 -3.16 115.31 116.59 1hot h LEU 258 Ca 0.17 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1hot h LEU 258 Cb 0.41 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1hot h LEU 258 CO 0.01 0.01 0.00 -0.62 -0.34 0.00 0.00 178.44 177.50 1hot n GLU 259 N -5.10 2.59 -0.16 1.25 -0.58 -0.64 -4.65 120.64 113.34 1hot n GLU 259 Ca -0.04 -2.34 -0.13 0.00 -0.42 0.00 0.00 57.16 54.23 1hot n GLU 259 Cb 0.07 -1.53 -0.09 0.00 -0.57 0.00 0.00 31.44 29.31 1hot n GLU 259 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1hot h ALA 260 N 4.16 -0.73 -0.12 0.62 0.00 -1.40 0.05 119.26 121.84 1hot h ALA 260 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1hot h ALA 260 Cb 0.91 1.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.83 1hot h ALA 260 CO 0.02 -1.00 -0.02 0.93 0.00 0.00 0.00 179.25 179.18 1hot h GLU 261 N -0.33 0.22 0.00 0.00 4.39 -1.85 -3.12 114.58 113.88 1hot h GLU 261 Ca 0.08 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1hot h GLU 261 Cb 0.54 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1hot h GLU 261 CO -0.60 0.52 0.07 -0.97 -1.16 0.00 0.00 179.01 176.87 1hot h ASN 262 N -0.09 0.00 -0.04 1.42 -1.24 -1.72 -1.85 115.58 112.06 1hot h ASN 262 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1hot h ASN 262 Cb 0.43 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.48 1hot h ASN 262 CO 0.01 0.00 0.00 2.30 -1.29 0.00 0.00 177.43 178.45 1hot n ILE 263 N -2.61 0.06 -2.03 2.57 -5.35 -0.05 -4.73 119.36 107.22 1hot n ILE 263 Ca -0.02 -0.53 -0.37 0.00 -0.27 0.00 0.00 62.75 61.55 1hot n ILE 263 Cb 0.12 1.23 -0.01 0.00 -1.74 0.00 0.00 39.64 39.25 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 0.76 4.15 0.08 6.28 5.02 -0.70 -4.62 118.16 129.12 1hot n LYS 264 Ca 0.08 -3.52 -0.13 0.00 -2.02 0.00 0.00 58.31 52.72 1hot n LYS 264 Cb 0.34 -2.45 -0.08 0.00 -0.02 0.00 0.00 35.03 32.83 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 4.62 -0.13 0.00 0.72 0.00 -1.85 -3.50 103.07 102.92 1hot h GLY 265 Ca 0.58 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.96 1hot h GLY 265 CO 1.27 -0.05 0.00 1.04 0.00 0.00 0.00 176.54 178.80