#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xhn s LEU 13 N 0.00 4.38 0.89 1.04 2.96 -1.26 -4.98 118.68 121.71 1xhn s LEU 13 Ca 0.00 2.71 -0.10 0.00 -0.22 0.00 0.00 54.13 56.51 1xhn s LEU 13 Cb 0.00 -3.58 0.13 0.00 0.50 0.00 0.00 46.19 43.24 1xhn s LEU 13 CO 0.00 -0.93 1.14 -2.84 -1.32 0.00 0.00 176.35 172.40 1xhn s PRO 14 N 1.89 1.24 0.26 0.98 0.02 -1.26 -4.92 135.00 133.21 1xhn s PRO 14 Ca 0.75 1.49 -0.30 0.00 0.02 0.00 0.00 61.00 62.96 1xhn s PRO 14 Cb -0.45 -1.76 -0.13 0.00 0.02 0.00 0.00 34.50 32.18 1xhn s PRO 14 CO 0.33 -2.46 1.36 -2.30 -0.33 0.00 0.00 177.00 173.61 1xhn n PRO 15 N -4.09 2.00 0.31 5.54 -0.02 -1.26 -4.83 135.00 132.65 1xhn n PRO 15 Ca 0.11 0.71 0.19 0.00 -2.02 0.00 0.00 63.50 62.50 1xhn n PRO 15 Cb 0.52 -2.34 1.01 0.00 -0.02 0.00 0.00 33.50 32.67 1xhn n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xhn h ARG 16 N 3.78 0.00 0.00 -0.52 3.08 -1.92 -1.57 114.38 117.23 1xhn h ARG 16 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1xhn h ARG 16 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1xhn h ARG 16 CO 0.72 0.02 0.00 1.05 -1.07 0.00 0.00 179.97 180.69 1xhn h GLU 17 N 0.00 0.00 -4.39 0.04 9.09 -1.95 -3.36 114.58 114.00 1xhn h GLU 17 Ca -0.00 0.00 -0.76 0.00 0.05 0.00 0.00 59.36 58.65 1xhn h GLU 17 Cb 0.13 0.00 -0.21 0.00 -1.65 0.00 0.00 28.75 27.02 1xhn h GLU 17 CO 0.00 0.00 1.07 -0.51 0.05 0.00 0.00 179.01 179.62 1xhn s ASP 18 N -5.79 7.14 0.25 3.06 1.01 -0.59 -4.87 116.67 116.88 1xhn s ASP 18 Ca 0.04 -3.17 -0.04 0.00 0.71 0.00 0.00 52.55 50.10 1xhn s ASP 18 Cb 0.07 -2.34 0.29 0.00 1.01 0.00 0.00 42.92 41.96 1xhn s ASP 18 CO 0.59 -0.61 1.77 0.00 0.21 0.00 0.00 175.17 177.14 1xhn h ALA 19 N 7.03 1.10 -0.42 5.23 0.00 -1.82 -1.10 119.26 129.27 1xhn h ALA 19 Ca 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xhn h ALA 19 Cb 0.88 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1xhn h ALA 19 CO 1.17 0.59 0.21 0.00 0.00 0.00 0.00 179.25 181.22 1xhn h ALA 20 N 1.24 0.54 -0.79 0.00 0.00 -1.91 -1.07 119.26 117.27 1xhn h ALA 20 Ca 0.18 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1xhn h ALA 20 Cb 0.37 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1xhn h ALA 20 CO 0.01 0.09 0.30 0.00 0.00 0.00 0.00 179.25 179.64 1xhn h ARG 21 N 0.53 1.19 -0.07 0.00 3.08 -1.84 -2.07 114.38 115.20 1xhn h ARG 21 Ca 0.14 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1xhn h ARG 21 Cb 0.11 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1xhn h ARG 21 CO -0.02 0.97 0.04 0.28 -1.07 0.00 0.00 179.97 180.17 1xhn h VAL 22 N 1.15 1.09 -0.42 2.04 2.07 -1.01 -1.20 116.25 119.98 1xhn h VAL 22 Ca 0.26 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.59 1xhn h VAL 22 Cb 0.24 1.14 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 1xhn h VAL 22 CO -0.02 0.08 -0.07 0.00 0.02 0.00 0.00 177.57 177.58 1xhn h ALA 23 N 0.93 0.31 -0.73 1.67 0.00 -1.07 -0.76 119.26 119.61 1xhn h ALA 23 Ca 0.03 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1xhn h ALA 23 Cb 0.10 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1xhn h ALA 23 CO -0.00 -0.43 0.47 0.00 0.00 0.00 0.00 179.25 179.28 1xhn h ARG 24 N 0.03 0.97 -0.01 0.00 2.47 -1.24 -0.11 114.38 116.49 1xhn h ARG 24 Ca 0.20 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.85 1xhn h ARG 24 Cb 0.31 -0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1xhn h ARG 24 CO -0.40 0.66 0.01 0.35 0.56 0.00 0.00 179.97 181.14 1xhn h PHE 25 N 1.00 0.02 -0.29 3.04 3.04 -0.77 -2.09 116.94 120.89 1xhn h PHE 25 Ca 0.27 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.18 1xhn h PHE 25 Cb -0.08 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.41 1xhn h PHE 25 CO 0.00 0.14 0.05 0.28 -2.02 0.00 0.00 178.31 176.77 1xhn h VAL 26 N -0.11 1.23 -0.54 1.41 2.07 -0.89 -1.36 116.25 118.06 1xhn h VAL 26 Ca 0.00 -0.78 0.09 0.00 0.82 0.00 0.00 66.70 66.84 1xhn h VAL 26 Cb 0.13 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.01 1xhn h VAL 26 CO -0.00 0.25 0.14 0.74 0.02 0.00 0.00 177.57 178.72 1xhn h THR 27 N 0.30 0.72 -0.36 2.57 2.02 -1.06 -2.64 112.91 114.46 1xhn h THR 27 Ca 0.09 -0.10 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 1xhn h THR 27 Cb 0.33 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1xhn h THR 27 CO 0.00 0.05 -0.32 -0.74 0.37 0.00 0.00 175.52 174.88 1xhn h HIS 28 N 0.28 0.95 0.00 3.16 -0.00 -1.16 -2.83 115.15 115.55 1xhn h HIS 28 Ca 0.27 -0.26 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1xhn h HIS 28 Cb 0.36 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.56 1xhn h HIS 28 CO -0.21 1.02 0.00 1.33 -0.00 0.00 0.00 177.93 180.07 1xhn n VAL 29 N -4.07 0.06 -3.13 5.26 0.24 -0.53 -4.81 118.33 111.35 1xhn n VAL 29 Ca -0.01 0.02 -0.39 0.00 -2.04 0.00 0.00 64.34 61.91 1xhn n VAL 29 Cb 0.50 -0.53 -0.05 0.00 -1.47 0.00 0.00 33.84 32.28 1xhn n VAL 29 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1xhn s SER 30 N -2.82 6.92 0.01 -1.34 0.01 -1.01 -4.94 113.70 110.54 1xhn s SER 30 Ca 0.19 1.11 0.23 0.00 1.31 0.00 0.00 55.95 58.79 1xhn s SER 30 Cb 0.19 -2.38 0.06 0.00 0.21 0.00 0.00 66.02 64.10 1xhn s SER 30 CO 0.48 -0.05 1.08 0.47 0.41 0.00 0.00 173.24 175.63 1xhn n ASP 31 N 3.56 0.74 -3.76 2.44 8.00 -1.26 -4.66 116.55 121.61 1xhn n ASP 31 Ca -0.03 -0.59 -0.10 0.00 0.71 0.00 0.00 54.79 54.78 1xhn n ASP 31 Cb 0.51 0.74 -0.04 0.00 -0.02 0.00 0.00 41.12 42.31 1xhn n ASP 31 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 1xhn s TRP 32 N -3.05 0.37 0.28 1.24 1.48 -1.26 -0.82 118.94 117.18 1xhn s TRP 32 Ca 0.08 -0.76 -0.19 0.00 -1.06 0.00 0.00 56.10 54.17 1xhn s TRP 32 Cb 0.16 0.28 0.07 0.00 -1.16 0.00 0.00 33.47 32.82 1xhn s TRP 32 CO 0.80 -1.11 0.91 0.20 -4.06 0.00 0.00 176.95 173.70 1xhn s GLY 33 N -3.04 0.22 -0.16 3.67 0.00 -0.49 -4.85 107.32 102.66 1xhn s GLY 33 Ca 0.21 -0.52 -0.06 0.00 0.00 0.00 0.00 44.72 44.36 1xhn s GLY 33 CO 0.11 1.03 0.02 0.00 0.00 0.00 0.00 173.10 174.25 1xhn s ALA 34 N -2.30 3.25 -0.19 3.20 0.00 -0.85 -1.46 121.76 123.41 1xhn s ALA 34 Ca 0.18 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.34 1xhn s ALA 34 Cb -0.04 -1.75 -0.01 0.00 0.00 0.00 0.00 23.12 21.32 1xhn s ALA 34 CO 0.08 0.23 -0.06 -1.17 0.00 0.00 0.00 175.76 174.84 1xhn s LEU 35 N 0.26 2.89 -0.14 0.00 2.96 0.15 -0.70 118.68 124.10 1xhn s LEU 35 Ca 0.01 -0.35 -0.16 0.00 -0.22 0.00 0.00 54.13 53.41 1xhn s LEU 35 Cb -0.13 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 1xhn s LEU 35 CO 0.01 0.05 0.39 0.00 -1.32 0.00 0.00 176.35 175.48 1xhn s ALA 36 N 1.08 3.54 0.34 5.97 0.00 0.18 -1.76 121.76 131.10 1xhn s ALA 36 Ca 0.01 -0.32 0.04 0.00 0.00 0.00 0.00 51.96 51.69 1xhn s ALA 36 Cb -0.15 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 1xhn s ALA 36 CO -0.01 0.06 0.16 0.95 0.00 0.00 0.00 175.76 176.92 1xhn s THR 37 N 0.51 0.40 -0.18 0.00 -4.23 -0.39 -2.34 115.64 109.40 1xhn s THR 37 Ca 0.21 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.61 1xhn s THR 37 Cb -0.14 -2.48 -0.05 0.00 1.34 0.00 0.00 72.50 71.17 1xhn s THR 37 CO 0.07 0.00 0.21 -0.63 -0.54 0.00 0.00 174.62 173.73 1xhn s ILE 38 N -3.47 5.36 0.28 2.99 -1.09 -1.26 -0.30 121.20 123.71 1xhn s ILE 38 Ca 0.33 0.36 -0.29 0.00 -2.23 0.00 0.00 60.65 58.82 1xhn s ILE 38 Cb 0.04 -3.55 -0.10 0.00 -1.58 0.00 0.00 42.46 37.28 1xhn s ILE 38 CO 0.18 0.42 1.29 -0.44 -1.23 0.00 0.00 174.94 175.15 1xhn s SER 39 N 0.41 6.87 0.00 3.58 0.01 -0.13 -4.68 113.70 119.76 1xhn s SER 39 Ca 0.12 2.54 0.21 0.00 1.31 0.00 0.00 55.95 60.13 1xhn s SER 39 Cb -0.12 -2.63 -0.19 0.00 0.21 0.00 0.00 66.02 63.29 1xhn s SER 39 CO 0.01 -0.48 0.91 1.07 0.41 0.00 0.00 173.24 175.15 1xhn n THR 40 N 1.50 0.00 -1.70 1.44 5.66 -1.26 -1.60 114.28 118.32 1xhn n THR 40 Ca 0.02 -0.05 -0.43 0.00 -3.05 0.00 0.00 64.05 60.54 1xhn n THR 40 Cb 0.42 1.04 -0.03 0.00 -1.55 0.00 0.00 70.33 70.21 1xhn n THR 40 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1xhn n LEU 41 N -1.25 3.92 -0.31 1.09 4.77 -1.26 -4.75 117.00 119.21 1xhn n LEU 41 Ca 0.05 1.04 0.01 0.00 -0.03 0.00 0.00 56.01 57.07 1xhn n LEU 41 Cb 0.35 -1.55 0.14 0.00 -2.33 0.00 0.00 43.42 40.03 1xhn n LEU 41 CO 0.40 0.13 1.19 -0.08 -1.33 0.00 0.00 177.39 177.69 1xhn h GLU 42 N 7.32 0.92 -0.39 3.23 4.81 -1.97 0.51 114.58 129.01 1xhn h GLU 42 Ca -0.44 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 58.80 1xhn h GLU 42 Cb 1.21 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1xhn h GLU 42 CO 0.95 0.61 0.27 0.00 -0.73 0.00 0.00 179.01 180.11 1xhn h ALA 43 N 1.41 2.07 0.00 2.92 0.00 -2.01 -2.81 119.26 120.85 1xhn h ALA 43 Ca 0.38 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1xhn h ALA 43 Cb 0.19 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1xhn h ALA 43 CO -0.18 -0.15 -0.41 1.33 0.00 0.00 0.00 179.25 179.84 1xhn n VAL 44 N -4.47 1.56 -1.66 0.00 0.24 -0.41 -5.08 118.33 108.52 1xhn n VAL 44 Ca 0.05 -2.27 -0.52 0.00 -2.04 0.00 0.00 64.34 59.57 1xhn n VAL 44 Cb 0.30 0.01 -0.06 0.00 -1.47 0.00 0.00 33.84 32.62 1xhn n VAL 44 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1xhn n ARG 45 N -0.88 1.56 0.00 7.34 0.63 0.16 -1.42 116.66 124.05 1xhn n ARG 45 Ca 0.14 0.57 0.00 0.00 -0.92 0.00 0.00 57.85 57.64 1xhn n ARG 45 Cb 0.74 -2.29 0.00 0.00 0.45 0.00 0.00 32.46 31.36 1xhn n ARG 45 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xhn n GLY 46 N 3.54 1.62 3.84 5.14 0.00 -0.62 -4.99 105.19 113.72 1xhn n GLY 46 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1xhn n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xhn s ARG 47 N -0.50 4.04 0.45 1.61 0.52 -0.51 -4.72 118.95 119.85 1xhn s ARG 47 Ca 0.00 0.76 -0.24 0.00 -0.52 0.00 0.00 55.73 55.74 1xhn s ARG 47 Cb 0.00 -2.36 -0.07 0.00 0.52 0.00 0.00 34.95 33.03 1xhn s ARG 47 CO 0.00 0.09 1.22 -1.25 0.02 0.00 0.00 175.30 175.38 1xhn s PRO 48 N -3.11 3.74 0.10 3.54 0.04 -1.26 -0.95 135.00 137.10 1xhn s PRO 48 Ca 0.56 1.91 0.06 0.00 0.04 0.00 0.00 61.00 63.57 1xhn s PRO 48 Cb -0.10 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 31.93 1xhn s PRO 48 CO 0.18 -0.60 -0.16 0.12 0.04 0.00 0.00 177.00 176.58 1xhn s PHE 49 N -1.44 1.42 0.05 0.56 5.36 0.59 -4.78 117.98 119.73 1xhn s PHE 49 Ca 0.63 -0.48 0.03 0.00 -0.96 0.00 0.00 56.93 56.14 1xhn s PHE 49 Cb -0.32 -0.77 -0.02 0.00 -0.34 0.00 0.00 43.02 41.56 1xhn s PHE 49 CO 0.39 0.13 -0.09 0.00 -1.46 0.00 0.00 175.22 174.19 1xhn s ALA 50 N -1.55 0.68 0.12 11.12 0.00 -1.26 -1.26 121.76 129.61 1xhn s ALA 50 Ca 0.04 -0.81 -0.15 0.00 0.00 0.00 0.00 51.96 51.04 1xhn s ALA 50 Cb -0.08 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.09 1xhn s ALA 50 CO 0.03 0.01 0.38 0.34 0.00 0.00 0.00 175.76 176.53 1xhn s ASP 51 N -1.60 -0.20 -0.21 0.00 2.15 -0.72 -4.97 116.67 111.12 1xhn s ASP 51 Ca -0.09 -0.36 -0.04 0.00 0.43 0.00 0.00 52.55 52.49 1xhn s ASP 51 Cb -0.10 0.46 -0.02 0.00 -0.30 0.00 0.00 42.92 42.96 1xhn s ASP 51 CO 0.01 -0.85 -0.02 -0.69 -0.17 0.00 0.00 175.17 173.45 1xhn s VAL 52 N -3.81 3.72 0.02 1.11 1.01 -1.26 -0.68 120.40 120.52 1xhn s VAL 52 Ca 0.03 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 61.70 1xhn s VAL 52 Cb 0.02 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 1xhn s VAL 52 CO -0.12 0.43 -0.21 -0.76 0.00 0.00 0.00 175.10 174.44 1xhn s LEU 53 N 1.16 2.12 0.47 3.92 1.43 -0.53 -4.99 118.68 122.27 1xhn s LEU 53 Ca 0.03 -0.48 -0.21 0.00 -1.03 0.00 0.00 54.13 52.43 1xhn s LEU 53 Cb -0.14 -1.04 -0.08 0.00 0.03 0.00 0.00 46.19 44.96 1xhn s LEU 53 CO 0.00 0.20 1.08 -0.44 0.23 0.00 0.00 176.35 177.43 1xhn s SER 54 N -0.94 6.30 0.22 2.29 0.01 -1.26 -1.40 113.70 118.92 1xhn s SER 54 Ca 0.08 2.07 -0.13 0.00 1.31 0.00 0.00 55.95 59.28 1xhn s SER 54 Cb -0.09 -2.58 -0.00 0.00 0.21 0.00 0.00 66.02 63.57 1xhn s SER 54 CO 0.01 -0.82 0.44 -1.48 0.41 0.00 0.00 173.24 171.81 1xhn s LEU 55 N -3.25 0.41 -0.27 2.44 0.05 -0.00 -4.57 118.68 113.50 1xhn s LEU 55 Ca 0.65 -0.85 -0.25 0.00 0.05 0.00 0.00 54.13 53.73 1xhn s LEU 55 Cb -0.21 1.70 0.08 0.00 -2.05 0.00 0.00 46.19 45.70 1xhn s LEU 55 CO 0.26 -1.07 0.77 -0.55 -0.55 0.00 0.00 176.35 175.20 1xhn s SER 56 N -2.99 -0.70 0.00 1.48 0.15 -1.08 -4.47 113.70 106.09 1xhn s SER 56 Ca 0.19 1.34 0.15 0.00 0.70 0.00 0.00 55.95 58.34 1xhn s SER 56 Cb 0.00 1.36 0.27 0.00 -1.71 0.00 0.00 66.02 65.94 1xhn s SER 56 CO 0.05 -0.24 1.17 -0.90 1.20 0.00 0.00 173.24 174.52 1xhn n ASP 57 N 2.57 2.79 0.00 5.45 5.75 -1.24 -1.43 116.55 130.44 1xhn n ASP 57 Ca -0.14 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1xhn n ASP 57 Cb 0.55 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 1xhn n ASP 57 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xhn n GLY 58 N 0.90 2.69 3.73 6.12 0.00 -1.26 -1.22 105.19 116.15 1xhn n GLY 58 Ca 0.13 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 1xhn n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xhn s PRO 59 N -1.91 0.59 0.50 1.61 0.04 -1.25 -4.64 135.00 129.94 1xhn s PRO 59 Ca 0.00 0.31 0.43 0.00 0.04 0.00 0.00 61.00 61.77 1xhn s PRO 59 Cb 0.00 -1.77 1.62 0.00 0.04 0.00 0.00 34.50 34.39 1xhn s PRO 59 CO 0.00 -2.58 1.55 -2.30 0.04 0.00 0.00 177.00 173.71 1xhn n PRO 60 N -4.03 -0.02 0.00 0.56 -0.02 -1.26 -0.77 135.00 129.46 1xhn n PRO 60 Ca 0.07 1.15 0.03 0.00 -2.02 0.00 0.00 63.50 62.73 1xhn n PRO 60 Cb 0.59 -2.47 0.02 0.00 -0.02 0.00 0.00 33.50 31.62 1xhn n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xhn n GLY 61 N -1.74 -0.84 2.41 -1.23 0.00 -1.26 -4.83 105.19 97.70 1xhn n GLY 61 Ca 0.43 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 46.06 1xhn n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xhn n ALA 62 N 0.31 2.83 -2.56 4.61 0.00 0.05 -5.07 120.51 120.68 1xhn n ALA 62 Ca 0.03 -3.80 -0.43 0.00 0.00 0.00 0.00 53.44 49.24 1xhn n ALA 62 Cb 0.15 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 1xhn n ALA 62 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xhn s GLY 63 N -2.69 1.99 0.00 0.00 0.00 -1.25 -3.86 107.32 101.50 1xhn s GLY 63 Ca 0.42 0.42 0.23 0.00 0.00 0.00 0.00 44.72 45.79 1xhn s GLY 63 CO -0.10 2.18 1.12 -1.14 0.00 0.00 0.00 173.10 175.17 1xhn n SER 64 N 5.69 1.35 0.00 1.64 3.41 -0.36 -4.95 113.62 120.40 1xhn n SER 64 Ca 0.11 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 1xhn n SER 64 Cb 0.47 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.01 1xhn n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xhn n GLY 65 N 1.45 2.55 3.64 5.00 0.00 -1.26 -4.93 105.19 111.63 1xhn n GLY 65 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1xhn n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xhn s VAL 66 N -2.19 4.15 -0.45 1.61 1.01 -1.26 -4.98 120.40 118.29 1xhn s VAL 66 Ca 0.00 1.32 -0.29 0.00 0.00 0.00 0.00 61.98 63.01 1xhn s VAL 66 Cb 0.00 -4.09 0.02 0.00 0.00 0.00 0.00 36.38 32.31 1xhn s VAL 66 CO 0.00 -0.38 1.19 -2.84 0.00 0.00 0.00 175.10 173.07 1xhn s PRO 67 N 4.04 3.73 -0.04 2.72 0.02 -1.26 -3.65 135.00 140.55 1xhn s PRO 67 Ca 0.57 0.70 -0.12 0.00 0.02 0.00 0.00 61.00 62.17 1xhn s PRO 67 Cb -0.18 -3.92 -0.05 0.00 0.02 0.00 0.00 34.50 30.37 1xhn s PRO 67 CO 0.21 -1.38 0.32 0.71 -0.33 0.00 0.00 177.00 176.53 1xhn s TYR 68 N 4.59 3.68 0.22 6.54 1.51 -0.51 -1.90 117.35 131.48 1xhn s TYR 68 Ca 0.51 0.83 0.11 0.00 -1.01 0.00 0.00 57.07 57.50 1xhn s TYR 68 Cb -0.09 -2.16 -0.05 0.00 -0.11 0.00 0.00 41.96 39.55 1xhn s TYR 68 CO 0.30 0.67 -0.21 -0.06 -1.11 0.00 0.00 175.55 175.14 1xhn s PHE 69 N -1.08 2.20 -0.27 2.71 0.08 -0.01 -2.63 117.98 118.98 1xhn s PHE 69 Ca 0.21 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.89 1xhn s PHE 69 Cb -0.15 -1.04 0.05 0.00 -0.57 0.00 0.00 43.02 41.31 1xhn s PHE 69 CO 0.11 0.54 -0.07 -0.47 -0.10 0.00 0.00 175.22 175.23 1xhn s TYR 70 N -2.07 3.20 0.18 0.36 5.04 -1.26 -0.28 117.35 122.52 1xhn s TYR 70 Ca 0.23 -1.98 0.07 0.00 -2.44 0.00 0.00 57.07 52.96 1xhn s TYR 70 Cb -0.06 -2.02 -0.04 0.00 0.35 0.00 0.00 41.96 40.19 1xhn s TYR 70 CO 0.11 -0.82 -0.14 -0.51 -1.34 0.00 0.00 175.55 172.85 1xhn s LEU 71 N 1.21 2.52 0.01 6.97 1.43 -0.52 -4.94 118.68 125.36 1xhn s LEU 71 Ca -0.05 -0.97 0.07 0.00 -1.03 0.00 0.00 54.13 52.15 1xhn s LEU 71 Cb -0.19 -0.64 -0.02 0.00 0.03 0.00 0.00 46.19 45.37 1xhn s LEU 71 CO -0.04 -0.17 -0.21 -0.55 0.23 0.00 0.00 176.35 175.62 1xhn s SER 72 N -3.09 2.43 0.63 2.29 0.15 -1.26 -0.65 113.70 114.20 1xhn s SER 72 Ca 0.19 -0.44 0.31 0.00 0.70 0.00 0.00 55.95 56.71 1xhn s SER 72 Cb -0.02 -0.24 1.70 0.00 -1.71 0.00 0.00 66.02 65.76 1xhn s SER 72 CO 0.05 0.21 2.02 -0.65 1.20 0.00 0.00 173.24 176.08 1xhn h PRO 73 N 5.26 0.00 0.00 5.44 0.11 -1.77 -1.26 132.00 139.78 1xhn h PRO 73 Ca -0.41 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.66 1xhn h PRO 73 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1xhn h PRO 73 CO 0.46 0.00 -0.23 -0.07 -0.21 0.00 0.00 178.00 177.95 1xhn h LEU 74 N 0.00 0.00 -9.84 2.35 3.38 -1.95 -3.41 115.31 105.84 1xhn h LEU 74 Ca 0.07 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.53 1xhn h LEU 74 Cb 0.64 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.43 1xhn h LEU 74 CO -0.00 0.23 0.56 -1.10 0.09 0.00 0.00 178.44 178.22 1xhn s GLN 75 N -3.97 4.49 0.22 1.13 -0.21 -0.48 -4.93 119.66 115.91 1xhn s GLN 75 Ca -0.02 2.02 -0.09 0.00 0.02 0.00 0.00 55.36 57.30 1xhn s GLN 75 Cb 0.12 -3.13 0.35 0.00 1.00 0.00 0.00 33.01 31.36 1xhn s GLN 75 CO 0.64 -0.01 1.68 -0.07 -2.12 0.00 0.00 175.29 175.41 1xhn h LEU 76 N 3.67 -0.12 -1.15 2.90 3.38 -1.89 -1.59 115.31 120.51 1xhn h LEU 76 Ca -0.48 0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1xhn h LEU 76 Cb 1.22 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.17 1xhn h LEU 76 CO 0.67 -0.06 0.13 0.28 0.09 0.00 0.00 178.44 179.55 1xhn h SER 77 N 0.20 0.67 -0.46 -0.43 0.02 -1.94 -1.18 113.55 110.44 1xhn h SER 77 Ca 0.35 -0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 61.09 1xhn h SER 77 Cb 0.58 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1xhn h SER 77 CO -0.50 0.65 -0.14 0.58 -1.14 0.00 0.00 176.83 176.28 1xhn h VAL 78 N 0.71 1.27 -0.97 2.27 2.07 -1.59 -0.27 116.25 119.74 1xhn h VAL 78 Ca 0.16 -1.28 0.10 0.00 0.82 0.00 0.00 66.70 66.50 1xhn h VAL 78 Cb 0.24 1.14 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 1xhn h VAL 78 CO -0.01 0.44 0.60 0.28 0.02 0.00 0.00 177.57 178.91 1xhn h SER 79 N 0.74 0.91 -0.31 0.57 0.02 -0.89 -0.99 113.55 113.61 1xhn h SER 79 Ca 0.11 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1xhn h SER 79 Cb 0.70 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1xhn h SER 79 CO 0.05 0.52 -0.02 0.78 -1.14 0.00 0.00 176.83 177.02 1xhn h ASN 80 N 1.00 0.55 0.49 3.07 2.35 -0.87 -3.12 115.58 119.05 1xhn h ASN 80 Ca 0.46 -0.32 -0.06 0.00 -0.55 0.00 0.00 56.30 55.83 1xhn h ASN 80 Cb 0.38 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1xhn h ASN 80 CO -0.24 0.74 -0.27 -0.07 -1.65 0.00 0.00 177.43 175.94 1xhn h LEU 81 N 0.34 0.00 -1.53 1.61 3.38 -0.23 -0.98 115.31 117.90 1xhn h LEU 81 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1xhn h LEU 81 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1xhn h LEU 81 CO 0.02 0.27 0.08 1.56 0.09 0.00 0.00 178.44 180.45 1xhn h GLN 82 N 0.00 0.38 0.00 1.13 1.08 -1.15 -2.87 115.11 113.68 1xhn h GLN 82 Ca -0.00 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1xhn h GLN 82 Cb 0.58 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1xhn h GLN 82 CO 0.03 0.35 -1.56 0.39 -0.95 0.00 0.00 178.83 177.10 1xhn n GLU 83 N -4.39 0.56 -3.15 1.46 -0.58 -0.73 -4.86 120.64 108.95 1xhn n GLU 83 Ca 0.01 -0.08 0.04 0.00 -0.42 0.00 0.00 57.16 56.71 1xhn n GLU 83 Cb 0.15 -1.61 -0.01 0.00 -0.57 0.00 0.00 31.44 29.41 1xhn n GLU 83 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1xhn s ASN 84 N -4.56 -1.39 0.00 1.62 3.84 -0.45 -5.05 114.94 108.95 1xhn s ASN 84 Ca -0.04 0.65 0.23 0.00 0.21 0.00 0.00 52.86 53.91 1xhn s ASN 84 Cb 0.13 2.08 1.22 0.00 -0.55 0.00 0.00 41.25 44.13 1xhn s ASN 84 CO 0.86 -0.26 1.81 -0.81 -2.79 0.00 0.00 177.10 175.91 1xhn n PRO 85 N 5.42 1.22 -2.43 0.43 -0.04 -1.09 -3.85 135.00 134.66 1xhn n PRO 85 Ca 0.01 -0.32 -0.38 0.00 -0.04 0.00 0.00 63.50 62.76 1xhn n PRO 85 Cb 0.52 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.57 1xhn n PRO 85 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1xhn s TYR 86 N -1.96 3.29 0.03 0.54 1.51 -1.26 -0.92 117.35 118.59 1xhn s TYR 86 Ca 0.35 1.63 -0.23 0.00 -1.01 0.00 0.00 57.07 57.81 1xhn s TYR 86 Cb 0.17 -3.28 0.05 0.00 -0.11 0.00 0.00 41.96 38.79 1xhn s TYR 86 CO 0.27 -0.86 0.52 0.00 -1.11 0.00 0.00 175.55 174.37 1xhn s ALA 87 N -1.41 -1.32 -0.11 3.71 0.00 -0.31 -4.61 121.76 117.72 1xhn s ALA 87 Ca 0.53 0.64 0.01 0.00 0.00 0.00 0.00 51.96 53.14 1xhn s ALA 87 Cb -0.28 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.17 1xhn s ALA 87 CO 0.36 -0.47 -0.12 0.99 0.00 0.00 0.00 175.76 176.51 1xhn s THR 88 N -2.24 1.31 -0.18 0.00 2.01 -0.99 -1.28 115.64 114.27 1xhn s THR 88 Ca -0.06 -0.51 -0.08 0.00 0.31 0.00 0.00 61.69 61.34 1xhn s THR 88 Cb -0.01 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 1xhn s THR 88 CO -0.00 0.41 0.09 -0.22 -0.69 0.00 0.00 174.62 174.21 1xhn s LEU 89 N 1.17 4.01 0.51 4.42 2.96 0.76 -0.65 118.68 131.86 1xhn s LEU 89 Ca -0.04 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 1xhn s LEU 89 Cb -0.14 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.52 1xhn s LEU 89 CO -0.03 0.19 0.10 0.28 -1.32 0.00 0.00 176.35 175.57 1xhn s THR 90 N 0.26 1.37 -0.21 3.68 -1.32 0.13 -0.87 115.64 118.68 1xhn s THR 90 Ca 0.06 -1.87 -0.28 0.00 -1.21 0.00 0.00 61.69 58.39 1xhn s THR 90 Cb -0.12 -2.24 0.13 0.00 -1.51 0.00 0.00 72.50 68.77 1xhn s THR 90 CO -0.01 0.00 1.06 0.28 -2.21 0.00 0.00 174.62 173.74 1xhn s THR 92 N -2.83 0.00 -1.16 5.08 -1.32 -1.26 -2.01 115.64 112.13 1xhn s THR 92 Ca 0.15 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.67 1xhn s THR 92 Cb 0.01 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.05 1xhn s THR 92 CO 0.09 0.00 1.06 0.18 -2.21 0.00 0.00 174.62 173.74 1xhn n LEU 93 N 1.17 0.00 0.02 9.08 4.77 -0.57 -1.47 117.00 130.00 1xhn n LEU 93 Ca -0.10 0.42 0.06 0.00 -0.03 0.00 0.00 56.01 56.36 1xhn n LEU 93 Cb 0.57 -0.42 0.26 0.00 -2.33 0.00 0.00 43.42 41.51 1xhn n LEU 93 CO 0.11 -0.36 0.69 0.00 -1.33 0.00 0.00 177.39 176.50 1xhn n ALA 94 N -1.42 1.49 0.61 -1.18 0.00 -1.26 -1.26 120.51 117.49 1xhn n ALA 94 Ca 0.01 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.56 1xhn n ALA 94 Cb 0.04 -1.20 0.45 0.00 0.00 0.00 0.00 19.45 18.75 1xhn n ALA 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xhn n GLN 95 N -1.60 0.19 -1.40 0.00 6.02 -0.54 -4.75 117.38 115.32 1xhn n GLN 95 Ca 0.02 0.24 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 1xhn n GLN 95 Cb 0.13 -1.76 0.00 0.00 1.02 0.00 0.00 30.24 29.63 1xhn n GLN 95 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1xhn n THR 96 N -2.11 0.00 1.36 5.09 -2.24 -0.39 -5.03 114.28 110.95 1xhn n THR 96 Ca 0.05 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.96 1xhn n THR 96 Cb 0.35 -0.52 0.42 0.00 -2.10 0.00 0.00 70.33 68.48 1xhn n THR 96 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1xhn n ASN 97 N -1.92 1.53 -0.23 3.42 2.85 -1.26 -4.44 115.26 115.21 1xhn n ASN 97 Ca 0.00 -1.38 -0.00 0.00 -0.11 0.00 0.00 54.58 53.09 1xhn n ASN 97 Cb 0.00 0.06 0.07 0.00 1.24 0.00 0.00 39.78 41.15 1xhn n ASN 97 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1xhn h PHE 98 N 2.26 -0.41 -0.01 1.20 3.57 -1.93 -0.04 116.94 121.58 1xhn h PHE 98 Ca 0.00 0.06 -0.25 0.00 3.53 0.00 0.00 57.97 61.32 1xhn h PHE 98 Cb 0.56 0.29 0.01 0.00 2.79 0.00 0.00 35.95 39.60 1xhn h PHE 98 CO 0.00 -0.30 -0.98 0.00 -2.23 0.00 0.00 178.31 174.80 1xhn h LYS 100 N 0.34 0.47 -0.60 0.00 1.57 -1.68 0.12 116.57 116.78 1xhn h LYS 100 Ca -0.10 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1xhn h LYS 100 Cb 1.62 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.81 1xhn h LYS 100 CO 0.18 0.41 0.28 -0.22 -0.57 0.00 0.00 179.45 179.53 1xhn h LYS 101 N 0.41 0.85 -0.00 3.15 3.64 -1.04 -2.60 116.57 120.98 1xhn h LYS 101 Ca 0.12 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xhn h LYS 101 Cb 0.08 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1xhn h LYS 101 CO -0.02 0.67 -0.43 0.72 -2.27 0.00 0.00 179.45 178.13 1xhn n HIS 102 N -4.35 0.00 -1.88 1.91 8.25 -1.02 -4.97 115.22 113.16 1xhn n HIS 102 Ca 0.05 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.46 1xhn n HIS 102 Cb 0.14 -0.16 -0.01 0.00 1.12 0.00 0.00 29.99 31.08 1xhn n HIS 102 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xhn n GLY 103 N 1.42 0.30 3.64 -1.41 0.00 -0.13 -5.00 105.19 104.01 1xhn n GLY 103 Ca 0.09 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 1xhn n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xhn s PHE 104 N -2.25 3.31 0.31 1.61 0.08 -0.27 -5.03 117.98 115.74 1xhn s PHE 104 Ca 0.00 0.74 -0.28 0.00 0.12 0.00 0.00 56.93 57.51 1xhn s PHE 104 Cb 0.00 -2.74 -0.13 0.00 -0.57 0.00 0.00 43.02 39.58 1xhn s PHE 104 CO 0.00 -0.23 1.19 -3.47 -0.10 0.00 0.00 175.22 172.61 1xhn n ASP 105 N 5.32 2.18 -0.03 1.36 -0.08 -1.26 -4.56 116.55 119.49 1xhn n ASP 105 Ca -0.03 1.19 0.20 0.00 -1.51 0.00 0.00 54.79 54.64 1xhn n ASP 105 Cb 0.50 -1.40 0.67 0.00 2.34 0.00 0.00 41.12 43.23 1xhn n ASP 105 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1xhn h PRO 106 N 2.45 0.04 -0.00 -0.67 0.11 -1.95 0.38 132.00 132.36 1xhn h PRO 106 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xhn h PRO 106 Cb 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1xhn h PRO 106 CO 0.63 0.03 -0.25 0.94 -0.21 0.00 0.00 178.00 179.14 1xhn n GLN 107 N -4.38 0.13 -2.36 1.05 7.27 -1.26 -4.84 117.38 112.99 1xhn n GLN 107 Ca 0.11 -0.05 -0.41 0.00 0.07 0.00 0.00 57.00 56.72 1xhn n GLN 107 Cb 0.62 -1.50 -0.04 0.00 2.41 0.00 0.00 30.24 31.74 1xhn n GLN 107 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1xhn s SER 108 N -2.91 7.09 0.28 1.69 0.15 0.12 -4.91 113.70 115.22 1xhn s SER 108 Ca 0.15 2.37 0.23 0.00 0.70 0.00 0.00 55.95 59.41 1xhn s SER 108 Cb 0.18 -2.63 1.02 0.00 -1.71 0.00 0.00 66.02 62.89 1xhn s SER 108 CO 0.60 -0.30 1.71 -0.81 1.20 0.00 0.00 173.24 175.64 1xhn n PRO 109 N 1.42 0.19 0.03 5.44 -0.04 -1.26 -0.91 135.00 139.87 1xhn n PRO 109 Ca 0.01 0.46 -0.00 0.00 -0.04 0.00 0.00 63.50 63.93 1xhn n PRO 109 Cb 0.44 -1.90 0.30 0.00 -0.04 0.00 0.00 33.50 32.30 1xhn n PRO 109 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1xhn h LEU 110 N 0.00 0.43 -8.09 1.53 3.38 -1.86 -3.24 115.31 107.46 1xhn h LEU 110 Ca 0.00 -0.09 -0.53 0.00 0.09 0.00 0.00 57.88 57.35 1xhn h LEU 110 Cb 0.30 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 1xhn h LEU 110 CO 0.00 0.55 1.43 0.00 0.09 0.00 0.00 178.44 180.51 1xhn n VAL 112 N 7.07 0.62 -4.16 0.00 0.31 -1.25 -4.70 118.33 116.22 1xhn n VAL 112 Ca 0.38 -0.16 -0.11 0.00 -0.01 0.00 0.00 64.34 64.44 1xhn n VAL 112 Cb 0.49 -1.74 -0.10 0.00 -0.91 0.00 0.00 33.84 31.58 1xhn n VAL 112 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1xhn s HIS 113 N 0.36 0.90 0.00 3.52 -3.43 -0.70 -1.51 115.29 114.44 1xhn s HIS 113 Ca 0.70 -0.84 0.00 0.00 -0.80 0.00 0.00 55.06 54.12 1xhn s HIS 113 Cb -0.58 -0.52 0.00 0.00 -1.43 0.00 0.00 32.58 30.05 1xhn s HIS 113 CO 0.44 -0.12 0.00 0.44 -2.00 0.00 0.00 174.74 173.50 1xhn n ILE 114 N 0.14 0.00 -3.36 -5.38 -5.35 -1.26 -1.38 119.36 102.77 1xhn n ILE 114 Ca -0.13 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.37 1xhn n ILE 114 Cb 0.60 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.45 1xhn n ILE 114 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1xhn s LEU 116 N 0.00 -0.31 0.16 7.28 1.43 -0.05 -4.38 118.68 122.82 1xhn s LEU 116 Ca 0.00 0.44 0.11 0.00 -1.03 0.00 0.00 54.13 53.65 1xhn s LEU 116 Cb 0.00 1.37 -0.04 0.00 0.03 0.00 0.00 46.19 47.55 1xhn s LEU 116 CO 0.00 -0.06 -0.24 -0.55 0.23 0.00 0.00 176.35 175.72 1xhn s SER 117 N 2.03 3.45 0.00 2.29 0.15 -0.29 -0.17 113.70 121.15 1xhn s SER 117 Ca -0.03 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.83 1xhn s SER 117 Cb -0.03 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 1xhn s SER 117 CO -0.16 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1xhn n GLY 118 N 0.53 -0.66 3.43 9.45 0.00 -0.40 -0.57 105.19 116.96 1xhn n GLY 118 Ca -0.15 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 1xhn n GLY 118 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xhn s THR 119 N -4.00 2.50 -0.24 2.61 -4.23 -0.80 -1.16 115.64 110.32 1xhn s THR 119 Ca 0.00 -1.73 -0.09 0.00 -1.18 0.00 0.00 61.69 58.69 1xhn s THR 119 Cb 0.00 -2.14 -0.04 0.00 1.34 0.00 0.00 72.50 71.66 1xhn s THR 119 CO 0.00 0.04 0.11 -0.69 -0.54 0.00 0.00 174.62 173.54 1xhn s VAL 120 N -1.23 4.82 0.13 2.29 1.01 -0.10 0.27 120.40 127.59 1xhn s VAL 120 Ca 0.17 -0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.21 1xhn s VAL 120 Cb -0.10 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1xhn s VAL 120 CO 0.08 0.35 -0.16 0.42 0.00 0.00 0.00 175.10 175.80 1xhn s THR 121 N 1.26 1.47 0.23 3.92 -4.23 -0.58 -4.91 115.64 112.79 1xhn s THR 121 Ca 0.06 -1.72 -0.31 0.00 -1.18 0.00 0.00 61.69 58.53 1xhn s THR 121 Cb -0.14 -1.58 -0.12 0.00 1.34 0.00 0.00 72.50 72.00 1xhn s THR 121 CO 0.05 -0.34 1.68 -0.54 -0.54 0.00 0.00 174.62 174.92 1xhn s LYS 122 N -2.56 4.13 0.49 3.99 1.02 -1.26 -0.57 119.74 124.98 1xhn s LYS 122 Ca 0.09 2.59 -0.23 0.00 0.02 0.00 0.00 55.97 58.45 1xhn s LYS 122 Cb -0.06 -3.06 -0.06 0.00 -0.52 0.00 0.00 37.83 34.12 1xhn s LYS 122 CO 0.04 -0.71 1.27 0.08 -0.92 0.00 0.00 175.35 175.10 1xhn s VAL 123 N 0.86 2.59 0.75 3.17 1.01 0.59 -4.86 120.40 124.51 1xhn s VAL 123 Ca 0.71 0.46 -0.09 0.00 0.00 0.00 0.00 61.98 63.06 1xhn s VAL 123 Cb -0.49 -3.23 0.07 0.00 0.00 0.00 0.00 36.38 32.72 1xhn s VAL 123 CO 0.36 0.00 1.08 0.54 0.00 0.00 0.00 175.10 177.09 1xhn s ASN 124 N -1.11 4.72 0.28 3.32 2.20 -1.26 -4.93 114.94 118.16 1xhn s ASN 124 Ca 0.66 0.61 0.02 0.00 -0.94 0.00 0.00 52.86 53.21 1xhn s ASN 124 Cb -0.35 -1.21 0.58 0.00 -2.00 0.00 0.00 41.25 38.27 1xhn s ASN 124 CO 0.42 -1.71 1.82 1.05 -2.94 0.00 0.00 177.10 175.74 1xhn h GLU 125 N -0.78 0.89 -0.73 3.55 4.11 -2.02 -2.22 114.58 117.37 1xhn h GLU 125 Ca -0.45 -0.05 -0.04 0.00 0.07 0.00 0.00 59.36 58.88 1xhn h GLU 125 Cb 1.32 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 1xhn h GLU 125 CO 0.63 0.59 0.28 1.79 0.07 0.00 0.00 179.01 182.37 1xhn h THR 126 N 0.92 1.25 -1.67 -1.06 1.35 -2.04 -3.40 112.91 108.26 1xhn h THR 126 Ca 0.50 -0.81 -0.77 0.00 -0.55 0.00 0.00 66.41 64.79 1xhn h THR 126 Cb 0.57 0.41 -0.18 0.00 -1.73 0.00 0.00 68.15 67.22 1xhn h THR 126 CO -0.29 0.32 1.83 1.21 -0.25 0.00 0.00 175.52 178.34 1xhn n GLU 127 N -4.33 4.17 0.00 4.72 2.13 -0.84 -4.68 120.64 121.81 1xhn n GLU 127 Ca 0.06 -3.79 0.00 0.00 0.66 0.00 0.00 57.16 54.09 1xhn n GLU 127 Cb 0.19 -2.74 0.00 0.00 0.27 0.00 0.00 31.44 29.16 1xhn n GLU 127 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1xhn n ASP 129 N 2.55 0.00 -0.09 4.31 9.92 -1.26 -1.23 116.55 130.75 1xhn n ASP 129 Ca 0.43 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.55 1xhn n ASP 129 Cb 0.32 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.76 1xhn n ASP 129 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 1xhn h ILE 130 N 0.00 1.28 -0.36 0.53 6.09 -1.96 -1.97 117.51 121.12 1xhn h ILE 130 Ca 0.00 -1.63 0.01 0.00 -1.37 0.00 0.00 64.86 61.87 1xhn h ILE 130 Cb 0.00 1.57 -0.02 0.00 0.47 0.00 0.00 36.82 38.84 1xhn h ILE 130 CO 0.00 0.53 0.23 0.00 -3.07 0.00 0.00 178.15 175.84 1xhn h ALA 131 N 0.70 0.46 0.02 0.18 0.00 -1.56 0.38 119.26 119.43 1xhn h ALA 131 Ca 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xhn h ALA 131 Cb 1.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1xhn h ALA 131 CO 0.10 -0.11 -0.01 -0.22 0.00 0.00 0.00 179.25 179.02 1xhn h LYS 132 N 0.46 -0.02 -0.28 0.00 3.64 -1.81 -0.44 116.57 118.12 1xhn h LYS 132 Ca 0.14 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1xhn h LYS 132 Cb -0.02 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1xhn h LYS 132 CO -0.05 0.04 0.05 1.25 -2.27 0.00 0.00 179.45 178.48 1xhn h HIS 133 N -0.08 0.49 -0.50 1.91 2.76 -1.26 0.28 115.15 118.74 1xhn h HIS 133 Ca -0.00 -0.06 0.08 0.00 -2.20 0.00 0.00 60.37 58.18 1xhn h HIS 133 Cb 0.07 -0.13 -0.06 0.00 1.55 0.00 0.00 27.41 28.83 1xhn h HIS 133 CO -0.06 0.55 0.14 0.77 -1.30 0.00 0.00 177.93 178.03 1xhn h SER 134 N 0.28 0.08 0.01 3.26 0.02 -0.92 -2.67 113.55 113.62 1xhn h SER 134 Ca 0.09 0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.03 1xhn h SER 134 Cb 0.32 0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.95 1xhn h SER 134 CO 0.00 0.07 -0.33 -0.07 -1.14 0.00 0.00 176.83 175.36 1xhn h LEU 135 N 0.29 0.27 -1.07 5.07 3.38 -0.75 -3.19 115.31 119.31 1xhn h LEU 135 Ca 0.25 -0.80 -0.09 0.00 0.09 0.00 0.00 57.88 57.32 1xhn h LEU 135 Cb 0.30 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1xhn h LEU 135 CO -0.29 1.05 -0.37 -0.26 0.09 0.00 0.00 178.44 178.66 1xhn h PHE 136 N -0.47 0.21 -0.36 1.13 -1.00 -0.50 0.32 116.94 116.28 1xhn h PHE 136 Ca -0.04 -0.05 -0.07 0.00 2.81 0.00 0.00 57.97 60.62 1xhn h PHE 136 Cb 1.11 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 40.60 1xhn h PHE 136 CO 0.18 0.53 -0.03 0.82 -1.61 0.00 0.00 178.31 178.21 1xhn h ILE 137 N 0.16 1.27 -0.01 -0.55 1.08 -1.60 -2.77 117.51 115.08 1xhn h ILE 137 Ca 0.02 -1.04 -0.20 0.00 -0.39 0.00 0.00 64.86 63.25 1xhn h ILE 137 Cb 0.73 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.69 1xhn h ILE 137 CO 0.05 0.35 -0.84 -0.09 -0.69 0.00 0.00 178.15 176.93 1xhn h ARG 138 N 0.47 0.27 -2.60 2.37 9.65 -1.48 -3.39 114.38 119.67 1xhn h ARG 138 Ca 0.10 -0.27 -0.60 0.00 -1.10 0.00 0.00 59.98 58.11 1xhn h ARG 138 Cb 0.51 0.07 -0.41 0.00 -1.39 0.00 0.00 29.97 28.75 1xhn h ARG 138 CO 0.02 0.97 -0.71 0.72 2.80 0.00 0.00 179.97 183.77 1xhn n HIS 139 N -3.72 2.23 0.22 2.20 8.25 0.11 -4.98 115.22 119.54 1xhn n HIS 139 Ca -0.04 -4.01 0.17 0.00 -0.26 0.00 0.00 57.72 53.57 1xhn n HIS 139 Cb 0.78 -0.42 0.85 0.00 1.12 0.00 0.00 29.99 32.32 1xhn n HIS 139 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1xhn h PRO 140 N 4.95 0.00 -2.90 -0.41 0.11 -1.69 -3.40 132.00 128.66 1xhn h PRO 140 Ca 0.18 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 1xhn h PRO 140 Cb 0.77 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 1xhn h PRO 140 CO 0.66 0.00 0.41 -1.91 -0.21 0.00 0.00 178.00 176.95 1xhn n GLU 141 N -3.81 0.21 0.00 1.05 2.13 -1.26 -4.35 120.64 114.61 1xhn n GLU 141 Ca 0.01 -0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.72 1xhn n GLU 141 Cb 0.28 -1.55 0.00 0.00 0.27 0.00 0.00 31.44 30.44 1xhn n GLU 141 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1xhn n LYS 143 N 2.95 0.00 0.00 5.31 5.02 -1.26 -2.87 118.16 127.31 1xhn n LYS 143 Ca 0.05 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.45 1xhn n LYS 143 Cb 0.10 -0.47 0.03 0.00 -0.02 0.00 0.00 35.03 34.67 1xhn n LYS 143 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1xhn n THR 144 N -0.05 0.00 -1.47 -0.18 -2.24 -1.26 -5.00 114.28 104.08 1xhn n THR 144 Ca 0.00 -0.35 -0.35 0.00 -2.27 0.00 0.00 64.05 61.08 1xhn n THR 144 Cb 0.00 1.34 0.09 0.00 -2.10 0.00 0.00 70.33 69.66 1xhn n THR 144 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1xhn s TRP 145 N -2.26 2.00 -0.07 4.78 0.52 -1.14 -4.87 118.94 117.91 1xhn s TRP 145 Ca 0.21 1.58 -0.30 0.00 0.02 0.00 0.00 56.10 57.62 1xhn s TRP 145 Cb 0.18 -3.55 -0.06 0.00 -1.15 0.00 0.00 33.47 28.90 1xhn s TRP 145 CO 0.46 -2.77 1.72 -1.25 0.02 0.00 0.00 176.95 175.13 1xhn s PRO 146 N -3.77 4.09 0.51 4.98 0.04 -1.26 -4.89 135.00 134.69 1xhn s PRO 146 Ca 0.77 2.18 0.18 0.00 0.04 0.00 0.00 61.00 64.17 1xhn s PRO 146 Cb -0.32 -4.03 1.25 0.00 0.04 0.00 0.00 34.50 31.44 1xhn s PRO 146 CO 0.44 -0.97 2.08 0.66 0.04 0.00 0.00 177.00 179.26 1xhn h SER 147 N 10.06 0.07 0.27 6.66 4.64 -1.98 -1.64 113.55 131.63 1xhn h SER 147 Ca -0.40 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1xhn h SER 147 Cb 1.19 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1xhn h SER 147 CO 0.96 0.05 0.00 -1.54 -0.87 0.00 0.00 176.83 175.43 1xhn n SER 148 N -4.48 0.00 -0.51 4.97 3.41 -1.26 -1.75 113.62 114.00 1xhn n SER 148 Ca 0.03 0.47 0.14 0.00 -0.26 0.00 0.00 58.87 59.24 1xhn n SER 148 Cb 0.27 -0.48 0.47 0.00 -0.26 0.00 0.00 64.21 64.21 1xhn n SER 148 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1xhn n HIS 149 N -1.48 0.00 -3.08 7.33 -0.00 -0.62 -4.96 115.22 112.42 1xhn n HIS 149 Ca 0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.61 1xhn n HIS 149 Cb 0.09 -0.01 0.07 0.00 -0.00 0.00 0.00 29.99 30.14 1xhn n HIS 149 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1xhn n ASN 150 N 0.22 -2.40 -4.74 0.41 5.15 -0.72 -4.11 115.26 109.07 1xhn n ASN 150 Ca 0.18 -0.49 -0.42 0.00 -0.60 0.00 0.00 54.58 53.26 1xhn n ASN 150 Cb 0.38 -4.08 -0.02 0.00 -0.53 0.00 0.00 39.78 35.53 1xhn n ASN 150 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1xhn s TRP 151 N -3.28 2.88 0.10 1.20 0.52 -1.26 -4.40 118.94 114.70 1xhn s TRP 151 Ca 0.04 0.83 0.06 0.00 0.02 0.00 0.00 56.10 57.04 1xhn s TRP 151 Cb -0.00 -3.97 -0.03 0.00 -1.15 0.00 0.00 33.47 28.31 1xhn s TRP 151 CO 0.56 -3.30 -0.16 -0.59 0.02 0.00 0.00 176.95 173.48 1xhn s PHE 152 N 0.17 1.44 0.10 -1.98 -0.12 0.18 -4.96 117.98 112.80 1xhn s PHE 152 Ca 0.63 -0.47 -0.26 0.00 -0.05 0.00 0.00 56.93 56.78 1xhn s PHE 152 Cb -0.45 -0.78 -0.06 0.00 -0.63 0.00 0.00 43.02 41.09 1xhn s PHE 152 CO 0.44 0.13 0.81 -0.06 -0.05 0.00 0.00 175.22 176.49 1xhn s PHE 153 N -1.51 3.81 0.23 3.49 0.40 -1.26 -1.43 117.98 121.70 1xhn s PHE 153 Ca 0.04 1.59 0.01 0.00 -0.60 0.00 0.00 56.93 57.98 1xhn s PHE 153 Cb -0.08 -2.85 -0.05 0.00 0.51 0.00 0.00 43.02 40.54 1xhn s PHE 153 CO 0.03 0.33 0.06 0.00 0.70 0.00 0.00 175.22 176.35 1xhn s ALA 154 N -0.38 1.58 0.06 5.36 0.00 0.62 -0.30 121.76 128.70 1xhn s ALA 154 Ca 0.39 -1.77 -0.08 0.00 0.00 0.00 0.00 51.96 50.51 1xhn s ALA 154 Cb -0.22 0.88 -0.00 0.00 0.00 0.00 0.00 23.12 23.78 1xhn s ALA 154 CO 0.25 -0.41 0.17 -1.59 0.00 0.00 0.00 175.76 174.18 1xhn s LYS 155 N -4.00 0.75 -0.19 0.00 -2.85 0.26 -0.83 119.74 112.88 1xhn s LYS 155 Ca 0.33 -0.84 -0.22 0.00 -1.00 0.00 0.00 55.97 54.25 1xhn s LYS 155 Cb 0.07 0.30 -0.02 0.00 -2.06 0.00 0.00 37.83 36.12 1xhn s LYS 155 CO 0.10 -0.22 0.67 -1.17 0.10 0.00 0.00 175.35 174.83 1xhn s LEU 156 N -2.51 4.15 -0.51 2.77 2.96 -0.80 -1.53 118.68 123.21 1xhn s LEU 156 Ca 0.00 0.90 -0.21 0.00 -0.22 0.00 0.00 54.13 54.61 1xhn s LEU 156 Cb 0.02 -2.96 0.05 0.00 0.50 0.00 0.00 46.19 43.80 1xhn s LEU 156 CO -0.08 -0.30 0.75 0.20 -1.32 0.00 0.00 176.35 175.60 1xhn s ASN 157 N 1.19 6.28 -0.12 3.68 0.01 0.14 -4.56 114.94 121.56 1xhn s ASN 157 Ca 0.31 -0.62 -0.28 0.00 -0.71 0.00 0.00 52.86 51.56 1xhn s ASN 157 Cb -0.16 -2.35 -0.02 0.00 0.41 0.00 0.00 41.25 39.14 1xhn s ASN 157 CO 0.11 -1.00 0.93 -0.63 -1.51 0.00 0.00 177.10 175.00 1xhn s ILE 158 N 3.14 4.83 -0.04 0.60 1.01 -1.26 -1.90 121.20 127.59 1xhn s ILE 158 Ca 0.22 1.88 0.07 0.00 0.00 0.00 0.00 60.65 62.82 1xhn s ILE 158 Cb -0.16 -4.24 -0.10 0.00 0.01 0.00 0.00 42.46 37.96 1xhn s ILE 158 CO 0.16 0.04 0.11 0.35 0.00 0.00 0.00 174.94 175.59 1xhn n THR 159 N 4.52 0.20 -4.02 2.92 -2.24 0.26 -4.79 114.28 111.13 1xhn n THR 159 Ca 0.07 -0.23 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 1xhn n THR 159 Cb 0.49 -0.15 -0.13 0.00 -2.10 0.00 0.00 70.33 68.43 1xhn n THR 159 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1xhn s ASN 160 N -3.29 0.39 -0.02 3.42 -0.87 -0.88 -4.59 114.94 109.11 1xhn s ASN 160 Ca -0.03 -0.21 0.00 0.00 -1.57 0.00 0.00 52.86 51.06 1xhn s ASN 160 Cb 0.04 -0.00 0.02 0.00 -0.02 0.00 0.00 41.25 41.29 1xhn s ASN 160 CO 0.30 -0.06 0.02 -0.63 -2.57 0.00 0.00 177.10 174.16 1xhn s ILE 161 N -0.51 0.01 -0.07 0.60 1.01 -1.23 -1.14 121.20 119.87 1xhn s ILE 161 Ca -0.04 0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.80 1xhn s ILE 161 Cb -0.04 -0.12 -0.00 0.00 0.01 0.00 0.00 42.46 42.31 1xhn s ILE 161 CO -0.00 0.09 -0.22 0.26 0.00 0.00 0.00 174.94 175.07 1xhn s TRP 162 N 0.86 2.21 -0.16 3.97 0.51 -1.26 -2.07 118.94 123.00 1xhn s TRP 162 Ca -0.08 -0.76 0.01 0.00 -2.12 0.00 0.00 56.10 53.15 1xhn s TRP 162 Cb -0.11 -1.48 0.02 0.00 -0.81 0.00 0.00 33.47 31.09 1xhn s TRP 162 CO -0.02 -0.28 -0.18 0.08 -0.51 0.00 0.00 176.95 176.03 1xhn s VAL 163 N 0.14 1.88 -0.63 4.03 1.01 0.75 -4.41 120.40 123.16 1xhn s VAL 163 Ca -0.10 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 1xhn s VAL 163 Cb -0.15 -1.71 0.16 0.00 0.00 0.00 0.00 36.38 34.69 1xhn s VAL 163 CO 0.05 0.51 0.50 -0.76 0.00 0.00 0.00 175.10 175.40 1xhn s LEU 164 N 1.23 5.75 0.00 3.92 2.01 -0.48 -0.56 118.68 130.55 1xhn s LEU 164 Ca 0.02 -2.56 0.00 0.00 0.01 0.00 0.00 54.13 51.60 1xhn s LEU 164 Cb -0.14 -1.98 0.00 0.00 0.01 0.00 0.00 46.19 44.08 1xhn s LEU 164 CO -0.09 -0.51 0.42 -0.90 1.01 0.00 0.00 176.35 176.28 1xhn n ASP 165 N 3.99 0.66 -3.77 2.29 5.68 -1.23 -1.71 116.55 122.45 1xhn n ASP 165 Ca 0.05 -1.17 -0.07 0.00 -0.50 0.00 0.00 54.79 53.10 1xhn n ASP 165 Cb 0.41 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.37 1xhn n ASP 165 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1xhn s TYR 166 N -0.17 -0.13 0.65 2.11 5.04 -1.22 -4.50 117.35 119.13 1xhn s TYR 166 Ca 0.00 -0.35 -0.18 0.00 -2.44 0.00 0.00 57.07 54.11 1xhn s TYR 166 Cb 0.00 0.69 -0.02 0.00 0.35 0.00 0.00 41.96 42.99 1xhn s TYR 166 CO 0.00 -1.26 1.13 1.19 -1.34 0.00 0.00 175.55 175.27 1xhn n PHE 167 N -0.46 1.34 0.00 4.97 3.72 -1.26 -4.81 117.46 120.96 1xhn n PHE 167 Ca -0.04 0.42 0.00 0.00 -0.05 0.00 0.00 57.45 57.78 1xhn n PHE 167 Cb 0.59 -2.19 0.00 0.00 -0.94 0.00 0.00 39.48 36.94 1xhn n PHE 167 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xhn n GLY 168 N 1.07 -1.16 3.52 1.37 0.00 -1.26 -5.02 105.19 103.70 1xhn n GLY 168 Ca 0.15 -2.12 -0.28 0.00 0.00 0.00 0.00 46.02 43.77 1xhn n GLY 168 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xhn s GLY 169 N 0.00 1.54 0.45 -0.02 0.00 -1.26 -4.97 107.32 103.05 1xhn s GLY 169 Ca 0.00 -0.27 -0.24 0.00 0.00 0.00 0.00 44.72 44.21 1xhn s GLY 169 CO 0.00 0.46 1.13 -1.05 0.00 0.00 0.00 173.10 173.65 1xhn n PRO 170 N -4.83 1.56 -3.48 2.90 -0.02 -1.26 -4.90 135.00 124.97 1xhn n PRO 170 Ca 0.04 0.56 -0.37 0.00 -2.02 0.00 0.00 63.50 61.71 1xhn n PRO 170 Cb 0.55 -2.23 -0.07 0.00 -0.02 0.00 0.00 33.50 31.74 1xhn n PRO 170 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1xhn s LYS 171 N -2.22 4.26 -0.14 -0.52 1.02 0.28 -4.87 119.74 117.55 1xhn s LYS 171 Ca 0.64 0.19 -0.14 0.00 0.02 0.00 0.00 55.97 56.69 1xhn s LYS 171 Cb -0.51 -3.42 -0.05 0.00 -0.52 0.00 0.00 37.83 33.33 1xhn s LYS 171 CO 0.56 0.23 0.30 0.42 -0.92 0.00 0.00 175.35 175.94 1xhn s ILE 172 N 0.47 5.28 -0.01 2.17 1.01 -1.26 -0.18 121.20 128.68 1xhn s ILE 172 Ca 0.19 0.57 0.06 0.00 0.00 0.00 0.00 60.65 61.47 1xhn s ILE 172 Cb -0.14 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1xhn s ILE 172 CO 0.06 0.43 -0.19 -0.69 0.00 0.00 0.00 174.94 174.54 1xhn s VAL 173 N 0.17 1.52 0.39 2.92 1.01 -0.88 -5.00 120.40 120.53 1xhn s VAL 173 Ca 0.18 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 61.18 1xhn s VAL 173 Cb -0.13 -1.26 -0.08 0.00 0.00 0.00 0.00 36.38 34.90 1xhn s VAL 173 CO 0.05 0.42 0.81 0.42 0.00 0.00 0.00 175.10 176.81 1xhn s THR 174 N -0.46 4.64 0.32 3.92 -4.23 -1.26 -3.56 115.64 115.01 1xhn s THR 174 Ca 0.07 0.98 0.06 0.00 -1.18 0.00 0.00 61.69 61.62 1xhn s THR 174 Cb -0.07 -3.66 0.31 0.00 1.34 0.00 0.00 72.50 70.42 1xhn s THR 174 CO -0.01 -0.37 1.84 -0.65 -0.54 0.00 0.00 174.62 174.90 1xhn h PRO 175 N 1.75 0.77 -0.42 3.99 0.11 -1.87 0.31 132.00 136.64 1xhn h PRO 175 Ca -0.48 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1xhn h PRO 175 Cb 1.18 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1xhn h PRO 175 CO 0.64 0.51 0.23 1.49 -0.21 0.00 0.00 178.00 180.66 1xhn h GLU 176 N 0.79 0.58 -0.39 1.05 4.81 -1.95 0.06 114.58 119.55 1xhn h GLU 176 Ca 0.49 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.65 1xhn h GLU 176 Cb 0.71 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1xhn h GLU 176 CO -0.26 0.47 0.22 0.93 -0.73 0.00 0.00 179.01 179.63 1xhn h GLU 177 N 0.54 0.54 -0.47 1.92 5.08 -1.78 -1.73 114.58 118.69 1xhn h GLU 177 Ca 0.15 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 1xhn h GLU 177 Cb 0.05 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 1xhn h GLU 177 CO -0.02 0.43 0.20 -0.92 -1.00 0.00 0.00 179.01 177.69 1xhn h TYR 178 N 0.50 0.36 -0.00 4.33 3.20 -0.72 -2.71 116.97 121.93 1xhn h TYR 178 Ca 0.14 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1xhn h TYR 178 Cb 0.04 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.22 1xhn h TYR 178 CO -0.03 0.15 -0.04 0.66 -1.64 0.00 0.00 178.16 177.27 1xhn n TYR 179 N -4.96 0.00 0.78 -3.82 4.01 -0.01 -3.18 117.16 109.98 1xhn n TYR 179 Ca 0.04 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.90 1xhn n TYR 179 Cb 0.15 -0.45 0.21 0.00 -0.31 0.00 0.00 39.34 38.94 1xhn n TYR 179 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1xhn n ASN 180 N -1.46 0.58 -4.77 7.72 3.02 -0.67 -4.84 115.26 114.85 1xhn n ASN 180 Ca 0.08 -0.06 -0.40 0.00 -0.03 0.00 0.00 54.58 54.17 1xhn n ASN 180 Cb 0.33 0.24 0.01 0.00 -0.61 0.00 0.00 39.78 39.74 1xhn n ASN 180 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xhn s VAL 181 N -3.09 2.17 -1.90 2.41 1.01 -1.19 -5.09 120.40 114.71 1xhn s VAL 181 Ca 0.08 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1xhn s VAL 181 Cb 0.16 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1xhn s VAL 181 CO 0.71 0.02 0.48 0.35 0.00 0.00 0.00 175.10 176.66