#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xdf s VAL 2 N 0.00 -0.14 -0.30 1.61 1.01 -1.26 -0.57 120.40 120.76 1xdf s VAL 2 Ca 0.00 0.35 -0.10 0.00 0.00 0.00 0.00 61.98 62.23 1xdf s VAL 2 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 36.14 1xdf s VAL 2 CO 0.00 0.13 0.16 0.12 0.00 0.00 0.00 175.10 175.50 1xdf s PHE 3 N 2.19 3.18 -0.12 5.22 2.19 0.60 -4.93 117.98 126.31 1xdf s PHE 3 Ca 0.04 -0.33 0.01 0.00 0.33 0.00 0.00 56.93 56.98 1xdf s PHE 3 Cb -0.12 -2.36 -0.01 0.00 -1.31 0.00 0.00 43.02 39.22 1xdf s PHE 3 CO -0.04 -0.36 -0.16 0.99 1.83 0.00 0.00 175.22 177.48 1xdf s THR 4 N 1.66 2.80 0.29 0.12 2.01 -1.26 -0.85 115.64 120.42 1xdf s THR 4 Ca 0.06 -0.76 -0.06 0.00 0.31 0.00 0.00 61.69 61.24 1xdf s THR 4 Cb -0.16 -2.15 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 1xdf s THR 4 CO 0.07 0.54 0.43 0.72 -0.69 0.00 0.00 174.62 175.69 1xdf s PHE 5 N 0.26 0.81 0.04 4.92 -0.71 -0.34 -5.00 117.98 117.96 1xdf s PHE 5 Ca -0.11 -1.09 0.08 0.00 -1.04 0.00 0.00 56.93 54.77 1xdf s PHE 5 Cb -0.16 -0.05 -0.03 0.00 -1.21 0.00 0.00 43.02 41.57 1xdf s PHE 5 CO 0.06 -1.01 -0.22 -1.21 -1.34 0.00 0.00 175.22 171.50 1xdf s GLU 6 N -3.58 1.94 0.05 1.99 2.02 -1.26 -0.96 118.70 118.90 1xdf s GLU 6 Ca 0.29 -1.04 0.04 0.00 0.02 0.00 0.00 54.97 54.27 1xdf s GLU 6 Cb 0.01 -2.09 -0.02 0.00 0.10 0.00 0.00 34.13 32.12 1xdf s GLU 6 CO 0.15 0.53 -0.11 0.34 0.02 0.00 0.00 175.26 176.18 1xdf s ASP 7 N -1.34 1.28 -0.01 -0.19 3.68 0.49 -4.96 116.67 115.62 1xdf s ASP 7 Ca 0.13 -0.51 0.01 0.00 2.13 0.00 0.00 52.55 54.31 1xdf s ASP 7 Cb -0.10 -0.03 0.00 0.00 -1.45 0.00 0.00 42.92 41.34 1xdf s ASP 7 CO 0.04 -0.09 -0.02 -0.70 0.13 0.00 0.00 175.17 174.53 1xdf s GLU 8 N -1.40 0.23 0.31 4.34 2.12 -1.26 -1.42 118.70 121.61 1xdf s GLU 8 Ca -0.04 -0.05 0.03 0.00 0.36 0.00 0.00 54.97 55.27 1xdf s GLU 8 Cb -0.09 -0.26 -0.04 0.00 0.26 0.00 0.00 34.13 33.99 1xdf s GLU 8 CO 0.01 0.01 0.12 -1.54 -0.54 0.00 0.00 175.26 173.32 1xdf s SER 9 N 0.19 1.77 0.16 -1.70 1.04 -0.66 -4.98 113.70 109.53 1xdf s SER 9 Ca -0.02 -1.50 0.06 0.00 0.48 0.00 0.00 55.95 54.98 1xdf s SER 9 Cb -0.04 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 1xdf s SER 9 CO -0.00 -0.80 -0.12 0.42 0.98 0.00 0.00 173.24 173.71 1xdf s THR 10 N -3.54 1.39 0.02 2.02 -4.23 -1.26 -0.73 115.64 109.30 1xdf s THR 10 Ca 0.35 -2.06 -0.02 0.00 -1.18 0.00 0.00 61.69 58.78 1xdf s THR 10 Cb 0.06 -1.87 -0.02 0.00 1.34 0.00 0.00 72.50 72.02 1xdf s THR 10 CO 0.16 -0.65 0.01 -0.55 -0.54 0.00 0.00 174.62 173.05 1xdf s SER 11 N -3.11 0.20 0.22 3.99 0.15 -0.42 -4.94 113.70 109.79 1xdf s SER 11 Ca 0.17 -0.45 0.23 0.00 0.70 0.00 0.00 55.95 56.61 1xdf s SER 11 Cb 0.00 0.13 0.93 0.00 -1.71 0.00 0.00 66.02 65.37 1xdf s SER 11 CO 0.03 -0.33 1.70 0.35 1.20 0.00 0.00 173.24 176.19 1xdf n THR 12 N 1.51 0.79 -2.85 6.45 -2.24 -1.26 0.14 114.28 116.82 1xdf n THR 12 Ca -0.23 0.15 -0.40 0.00 -2.27 0.00 0.00 64.05 61.30 1xdf n THR 12 Cb 0.55 -1.05 -0.06 0.00 -2.10 0.00 0.00 70.33 67.68 1xdf n THR 12 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xdf s ILE 13 N -3.25 4.29 0.40 2.28 1.01 -1.26 -4.51 121.20 120.16 1xdf s ILE 13 Ca 0.06 1.91 -0.27 0.00 0.00 0.00 0.00 60.65 62.34 1xdf s ILE 13 Cb 0.10 -4.24 -0.10 0.00 0.01 0.00 0.00 42.46 38.23 1xdf s ILE 13 CO 0.41 0.48 1.44 0.00 0.00 0.00 0.00 174.94 177.27 1xdf s ALA 14 N -0.93 3.43 0.29 9.38 0.00 -1.26 -2.94 121.76 129.73 1xdf s ALA 14 Ca 0.40 1.50 -0.01 0.00 0.00 0.00 0.00 51.96 53.84 1xdf s ALA 14 Cb -0.24 -3.59 0.47 0.00 0.00 0.00 0.00 23.12 19.76 1xdf s ALA 14 CO 0.29 -1.07 1.92 -1.00 0.00 0.00 0.00 175.76 175.89 1xdf h PRO 15 N 2.75 1.07 -0.26 0.00 0.13 -1.82 -2.09 132.00 131.79 1xdf h PRO 15 Ca -0.51 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 64.48 1xdf h PRO 15 Cb 1.25 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1xdf h PRO 15 CO 0.63 0.71 -0.19 0.00 -0.23 0.00 0.00 178.00 178.92 1xdf h ALA 16 N 1.48 1.18 -0.05 -0.56 0.00 -1.96 -0.32 119.26 119.03 1xdf h ALA 16 Ca 0.38 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1xdf h ALA 16 Cb 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1xdf h ALA 16 CO -0.13 0.52 -0.29 0.00 0.00 0.00 0.00 179.25 179.35 1xdf h ARG 17 N 0.43 0.28 -0.43 0.00 3.08 -1.83 -1.89 114.38 114.02 1xdf h ARG 17 Ca 0.07 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 59.89 1xdf h ARG 17 Cb 0.58 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1xdf h ARG 17 CO 0.04 0.89 0.28 1.25 -1.07 0.00 0.00 179.97 181.36 1xdf h LEU 18 N -0.25 0.48 -0.75 3.04 5.85 -1.33 -2.74 115.31 119.60 1xdf h LEU 18 Ca -0.02 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.73 1xdf h LEU 18 Cb 0.95 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 1xdf h LEU 18 CO 0.06 0.34 0.47 0.22 -0.34 0.00 0.00 178.44 179.19 1xdf h TYR 19 N 0.57 0.87 -0.27 1.25 3.20 -1.01 -1.98 116.97 119.59 1xdf h TYR 19 Ca 0.16 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.06 1xdf h TYR 19 Cb -0.05 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 37.92 1xdf h TYR 19 CO -0.05 0.48 0.17 -0.22 -1.64 0.00 0.00 178.16 176.90 1xdf h LYS 20 N 0.89 0.34 -0.84 1.82 3.64 -1.05 -1.97 116.57 119.40 1xdf h LYS 20 Ca 0.31 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 1xdf h LYS 20 Cb 0.06 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 1xdf h LYS 20 CO -0.13 0.23 0.46 0.00 -2.27 0.00 0.00 179.45 177.74 1xdf h ALA 21 N 1.11 1.22 -0.90 5.00 0.00 -1.27 0.11 119.26 124.54 1xdf h ALA 21 Ca 0.10 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xdf h ALA 21 Cb -0.02 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.39 1xdf h ALA 21 CO -0.04 0.63 0.55 -0.07 0.00 0.00 0.00 179.25 180.32 1xdf h LEU 22 N 1.18 1.08 0.00 0.00 3.38 -0.80 -0.94 115.31 119.20 1xdf h LEU 22 Ca 0.30 -0.06 -0.19 0.00 0.09 0.00 0.00 57.88 58.01 1xdf h LEU 22 Cb 0.03 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1xdf h LEU 22 CO -0.05 0.82 -2.08 1.33 0.09 0.00 0.00 178.44 178.56 1xdf n VAL 23 N -4.40 0.81 -0.09 1.22 0.24 -0.79 -4.27 118.33 111.05 1xdf n VAL 23 Ca 0.10 -0.69 -0.08 0.00 -2.04 0.00 0.00 64.34 61.63 1xdf n VAL 23 Cb 0.05 -0.32 -0.16 0.00 -1.47 0.00 0.00 33.84 31.94 1xdf n VAL 23 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1xdf n LYS 24 N -2.58 0.69 -0.08 7.34 4.76 0.37 -4.75 118.16 123.90 1xdf n LYS 24 Ca -0.18 -0.02 0.05 0.00 -2.87 0.00 0.00 58.31 55.29 1xdf n LYS 24 Cb 0.88 -1.53 0.08 0.00 -1.84 0.00 0.00 35.03 32.62 1xdf n LYS 24 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1xdf n ASP 25 N -2.71 1.90 -0.21 4.39 10.43 -0.37 -4.76 116.55 125.23 1xdf n ASP 25 Ca -0.30 -2.54 -0.05 0.00 2.57 0.00 0.00 54.79 54.47 1xdf n ASP 25 Cb 1.10 -0.25 0.05 0.00 1.84 0.00 0.00 41.12 43.86 1xdf n ASP 25 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xdf h ALA 26 N 0.00 0.79 -0.50 2.24 0.00 -1.72 -2.06 119.26 118.01 1xdf h ALA 26 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1xdf h ALA 26 Cb 0.88 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1xdf h ALA 26 CO 0.00 0.17 0.29 -0.44 0.00 0.00 0.00 179.25 179.27 1xdf h ASP 27 N 0.79 0.46 0.49 0.00 3.45 -1.93 -1.60 116.42 118.09 1xdf h ASP 27 Ca 0.23 0.01 -0.13 0.00 0.43 0.00 0.00 57.03 57.57 1xdf h ASP 27 Cb -0.05 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 38.62 1xdf h ASP 27 CO -0.07 0.32 -0.60 0.00 -1.57 0.00 0.00 179.24 177.33 1xdf h ALA 28 N 1.23 0.95 0.11 3.45 0.00 -1.89 -3.36 119.26 119.75 1xdf h ALA 28 Ca 0.20 -0.54 -0.31 0.00 0.00 0.00 0.00 54.91 54.26 1xdf h ALA 28 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1xdf h ALA 28 CO -0.10 0.74 -1.62 0.82 0.00 0.00 0.00 179.25 179.09 1xdf h ILE 29 N 0.08 0.88 -0.42 0.00 2.04 -0.99 -3.40 117.51 115.70 1xdf h ILE 29 Ca -0.01 -2.37 0.06 0.00 1.00 0.00 0.00 64.86 63.55 1xdf h ILE 29 Cb 1.07 2.60 -0.05 0.00 -0.74 0.00 0.00 36.82 39.69 1xdf h ILE 29 CO 0.08 0.74 0.10 0.40 0.00 0.00 0.00 178.15 179.47 1xdf h ILE 30 N -0.22 0.80 0.00 -0.67 2.04 -1.45 0.24 117.51 118.25 1xdf h ILE 30 Ca -0.35 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 1xdf h ILE 30 Cb 1.83 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1xdf h ILE 30 CO 0.05 0.04 -0.15 -0.65 0.00 0.00 0.00 178.15 177.44 1xdf h PRO 31 N 0.23 0.00 0.00 2.37 0.11 -1.80 -1.00 132.00 131.92 1xdf h PRO 31 Ca 0.20 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.11 1xdf h PRO 31 Cb 0.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.32 1xdf h PRO 31 CO -0.25 0.15 -0.95 0.87 -0.21 0.00 0.00 178.00 177.61 1xdf h LYS 32 N 0.00 0.00 0.00 1.05 1.57 -1.35 -3.34 116.57 114.50 1xdf h LYS 32 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1xdf h LYS 32 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1xdf h LYS 32 CO 0.02 0.93 -0.21 0.00 -0.57 0.00 0.00 179.45 179.62 1xdf h ALA 33 N 1.06 0.88 -3.33 3.86 0.00 0.64 -3.44 119.26 118.93 1xdf h ALA 33 Ca -0.01 -0.14 -0.53 0.00 0.00 0.00 0.00 54.91 54.22 1xdf h ALA 33 Cb 1.73 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 19.10 1xdf h ALA 33 CO 0.12 0.19 -0.77 0.08 0.00 0.00 0.00 179.25 178.88 1xdf s VAL 34 N -3.14 0.70 0.21 0.00 1.01 -0.54 -4.92 120.40 113.72 1xdf s VAL 34 Ca 0.06 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 1xdf s VAL 34 Cb 0.06 -1.15 0.14 0.00 0.00 0.00 0.00 36.38 35.42 1xdf s VAL 34 CO 0.70 -0.18 1.80 -0.08 0.00 0.00 0.00 175.10 177.34 1xdf h GLU 35 N 8.20 0.62 -0.15 2.72 4.81 -1.85 -1.06 114.58 127.86 1xdf h GLU 35 Ca -0.17 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.99 1xdf h GLU 35 Cb 1.11 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1xdf h GLU 35 CO 0.35 0.41 -0.07 0.00 -0.73 0.00 0.00 179.01 178.96 1xdf h ALA 36 N 1.35 1.60 -2.00 2.92 0.00 -1.92 -3.41 119.26 117.80 1xdf h ALA 36 Ca 0.30 -0.16 -0.57 0.00 0.00 0.00 0.00 54.91 54.48 1xdf h ALA 36 Cb 0.21 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1xdf h ALA 36 CO -0.20 0.29 0.89 0.42 0.00 0.00 0.00 179.25 180.65 1xdf s ILE 37 N -4.85 4.38 -0.01 0.00 1.01 -0.40 -2.03 121.20 119.31 1xdf s ILE 37 Ca -0.06 1.61 -0.16 0.00 0.00 0.00 0.00 60.65 62.04 1xdf s ILE 37 Cb 0.16 -4.26 -0.34 0.00 0.01 0.00 0.00 42.46 38.03 1xdf s ILE 37 CO 0.72 -0.39 0.89 1.56 0.00 0.00 0.00 174.94 177.72 1xdf h GLN 38 N 8.38 0.46 -2.46 2.79 1.08 -1.15 -3.42 115.11 120.80 1xdf h GLN 38 Ca -0.23 -0.79 0.02 0.00 -1.45 0.00 0.00 58.65 56.21 1xdf h GLN 38 Cb 1.08 0.29 -0.15 0.00 -0.05 0.00 0.00 27.48 28.65 1xdf h GLN 38 CO 1.02 1.38 0.33 -1.54 -0.95 0.00 0.00 178.83 179.06 1xdf s SER 39 N -7.40 -0.50 -0.04 1.46 1.04 -1.08 -4.92 113.70 102.26 1xdf s SER 39 Ca -0.12 0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.53 1xdf s SER 39 Cb 0.04 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 1xdf s SER 39 CO 0.90 -0.74 -0.18 -0.63 0.98 0.00 0.00 173.24 173.58 1xdf s ILE 40 N -2.83 1.46 -0.02 -1.02 1.01 -1.26 -0.84 121.20 117.70 1xdf s ILE 40 Ca -0.00 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 59.92 1xdf s ILE 40 Cb -0.01 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.22 1xdf s ILE 40 CO -0.06 0.42 -0.07 -1.61 0.00 0.00 0.00 174.94 173.61 1xdf s GLU 41 N -0.10 0.77 -0.23 2.79 2.02 -0.34 -4.98 118.70 118.63 1xdf s GLU 41 Ca -0.01 -0.25 -0.27 0.00 0.02 0.00 0.00 54.97 54.46 1xdf s GLU 41 Cb -0.10 -0.74 0.00 0.00 0.10 0.00 0.00 34.13 33.39 1xdf s GLU 41 CO 0.01 0.10 0.96 0.99 0.02 0.00 0.00 175.26 177.34 1xdf s THR 42 N 0.16 4.74 -0.10 3.63 2.01 -1.26 -0.61 115.64 124.22 1xdf s THR 42 Ca -0.02 1.85 -0.11 0.00 0.31 0.00 0.00 61.69 63.72 1xdf s THR 42 Cb -0.07 -4.24 -0.09 0.00 0.01 0.00 0.00 72.50 68.12 1xdf s THR 42 CO 0.00 -0.13 0.34 0.58 -0.69 0.00 0.00 174.62 174.72 1xdf h VAL 43 N 5.43 0.54 -3.95 3.82 2.07 -1.28 -3.48 116.25 119.40 1xdf h VAL 43 Ca -0.21 -1.31 -0.28 0.00 0.82 0.00 0.00 66.70 65.72 1xdf h VAL 43 Cb 1.08 1.00 -0.21 0.00 -1.52 0.00 0.00 31.29 31.63 1xdf h VAL 43 CO 0.93 0.17 -0.73 -1.61 0.02 0.00 0.00 177.57 176.35 1xdf s GLU 44 N -2.08 0.56 0.53 1.57 0.41 -0.86 -5.00 118.70 113.83 1xdf s GLU 44 Ca -0.07 -0.81 0.00 0.00 -0.41 0.00 0.00 54.97 53.69 1xdf s GLU 44 Cb -0.01 -0.31 0.00 0.00 -1.78 0.00 0.00 34.13 32.03 1xdf s GLU 44 CO 0.24 0.05 0.00 0.41 -0.49 0.00 0.00 175.26 175.48 1xdf n GLY 45 N 1.36 -2.21 0.02 -1.39 0.00 -1.26 -1.38 105.19 100.33 1xdf n GLY 45 Ca -0.22 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1xdf n GLY 45 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xdf n ASN 46 N 0.35 1.09 0.00 1.61 3.02 -1.26 -4.96 115.26 115.11 1xdf n ASN 46 Ca 0.00 -1.62 0.00 0.00 -0.03 0.00 0.00 54.58 52.93 1xdf n ASN 46 Cb 0.00 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1xdf n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xdf n GLY 47 N -0.31 0.90 4.02 7.41 0.00 -1.26 -5.10 105.19 110.84 1xdf n GLY 47 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1xdf n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xdf n GLY 48 N -0.72 1.33 3.59 -0.02 0.00 -1.26 -4.96 105.19 103.15 1xdf n GLY 48 Ca 0.00 -2.14 -0.48 0.00 0.00 0.00 0.00 46.02 43.41 1xdf n GLY 48 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xdf n PRO 49 N -2.59 1.31 0.00 1.61 -0.02 -1.26 -2.26 135.00 131.78 1xdf n PRO 49 Ca 0.17 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1xdf n PRO 49 Cb 0.61 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1xdf n PRO 49 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xdf n GLY 50 N 1.99 2.51 3.74 -1.23 0.00 0.73 -5.00 105.19 107.92 1xdf n GLY 50 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1xdf n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xdf s THR 51 N -2.69 2.32 -0.09 2.61 2.01 -0.96 -4.78 115.64 114.06 1xdf s THR 51 Ca 0.00 0.26 0.03 0.00 0.31 0.00 0.00 61.69 62.29 1xdf s THR 51 Cb 0.00 -3.17 -0.01 0.00 0.01 0.00 0.00 72.50 69.33 1xdf s THR 51 CO 0.00 0.04 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.14 1xdf s ILE 52 N 0.27 2.52 0.13 1.82 -1.09 -0.48 -0.79 121.20 123.58 1xdf s ILE 52 Ca 0.64 -0.87 0.06 0.00 -2.23 0.00 0.00 60.65 58.25 1xdf s ILE 52 Cb -0.46 -1.99 -0.04 0.00 -1.58 0.00 0.00 42.46 38.40 1xdf s ILE 52 CO 0.43 0.55 -0.15 -0.54 -1.23 0.00 0.00 174.94 174.00 1xdf s LYS 53 N 0.08 1.06 -0.17 2.79 1.02 0.32 -0.76 119.74 124.08 1xdf s LYS 53 Ca -0.09 -1.26 0.01 0.00 0.02 0.00 0.00 55.97 54.66 1xdf s LYS 53 Cb -0.15 -0.97 0.01 0.00 -0.52 0.00 0.00 37.83 36.20 1xdf s LYS 53 CO 0.05 0.19 -0.19 0.21 -0.92 0.00 0.00 175.35 174.69 1xdf s LYS 54 N -2.67 3.05 -0.19 1.68 2.20 0.23 -0.76 119.74 123.27 1xdf s LYS 54 Ca 0.10 -0.81 -0.12 0.00 -0.36 0.00 0.00 55.97 54.77 1xdf s LYS 54 Cb -0.05 -2.57 -0.05 0.00 -1.51 0.00 0.00 37.83 33.65 1xdf s LYS 54 CO 0.03 -0.13 0.22 -0.51 -0.36 0.00 0.00 175.35 174.60 1xdf s LEU 55 N 1.13 4.21 -0.21 5.43 1.43 -0.26 -1.19 118.68 129.21 1xdf s LEU 55 Ca 0.01 0.34 -0.07 0.00 -1.03 0.00 0.00 54.13 53.38 1xdf s LEU 55 Cb -0.14 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 1xdf s LEU 55 CO -0.08 0.11 0.04 -0.89 0.23 0.00 0.00 176.35 175.77 1xdf s THR 56 N 0.57 4.34 0.04 5.49 2.01 -0.02 -2.10 115.64 125.98 1xdf s THR 56 Ca 0.12 -0.18 -0.02 0.00 0.31 0.00 0.00 61.69 61.92 1xdf s THR 56 Cb -0.12 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 1xdf s THR 56 CO 0.02 0.41 0.02 -1.48 -0.69 0.00 0.00 174.62 172.89 1xdf s LEU 57 N 1.00 2.21 -0.15 4.42 0.05 -0.47 -0.68 118.68 125.06 1xdf s LEU 57 Ca 0.03 -0.77 -0.04 0.00 0.05 0.00 0.00 54.13 53.40 1xdf s LEU 57 Cb -0.14 0.34 -0.03 0.00 -2.05 0.00 0.00 46.19 44.31 1xdf s LEU 57 CO 0.03 -0.53 -0.03 -0.63 -0.55 0.00 0.00 176.35 174.63 1xdf s ILE 58 N -3.16 3.99 -0.11 1.48 -1.09 -0.86 -0.72 121.20 120.73 1xdf s ILE 58 Ca -0.00 -0.33 -0.03 0.00 -2.23 0.00 0.00 60.65 58.06 1xdf s ILE 58 Cb 0.02 -2.75 0.04 0.00 -1.58 0.00 0.00 42.46 38.20 1xdf s ILE 58 CO -0.07 0.50 0.06 -0.70 -1.23 0.00 0.00 174.94 173.50 1xdf s GLU 59 N 0.26 0.13 6.44 2.79 2.12 -0.53 -4.82 118.70 125.09 1xdf s GLU 59 Ca -0.02 0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.41 1xdf s GLU 59 Cb -0.14 -1.21 0.00 0.00 0.26 0.00 0.00 34.13 33.04 1xdf s GLU 59 CO 0.03 -0.48 0.00 0.41 -0.54 0.00 0.00 175.26 174.67 1xdf n GLY 60 N 5.25 3.18 0.39 -1.50 0.00 -1.26 -2.10 105.19 109.15 1xdf n GLY 60 Ca -0.06 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 45.77 1xdf n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xdf n GLY 61 N 0.00 -0.03 3.39 -0.02 0.00 -1.26 -4.95 105.19 102.32 1xdf n GLY 61 Ca 0.00 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 1xdf n GLY 61 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xdf s GLU 62 N -1.75 3.42 -0.15 1.61 2.12 -0.89 -5.10 118.70 117.96 1xdf s GLU 62 Ca 0.20 -0.66 -0.25 0.00 0.36 0.00 0.00 54.97 54.62 1xdf s GLU 62 Cb 0.10 -2.67 -0.02 0.00 0.26 0.00 0.00 34.13 31.80 1xdf s GLU 62 CO 0.15 0.21 0.79 0.99 -0.54 0.00 0.00 175.26 176.86 1xdf s THR 63 N 0.36 4.92 0.27 -1.70 2.01 -1.26 -1.45 115.64 118.79 1xdf s THR 63 Ca -0.10 1.57 0.03 0.00 0.31 0.00 0.00 61.69 63.50 1xdf s THR 63 Cb -0.16 -4.11 -0.06 0.00 0.01 0.00 0.00 72.50 68.19 1xdf s THR 63 CO 0.05 0.07 0.03 -0.54 -0.69 0.00 0.00 174.62 173.55 1xdf s LYS 64 N 1.89 1.47 0.07 4.92 1.02 0.10 -4.99 119.74 124.21 1xdf s LYS 64 Ca 0.37 -1.78 0.03 0.00 0.02 0.00 0.00 55.97 54.62 1xdf s LYS 64 Cb -0.17 -0.67 -0.03 0.00 -0.52 0.00 0.00 37.83 36.44 1xdf s LYS 64 CO 0.13 -0.16 -0.10 1.52 -0.92 0.00 0.00 175.35 175.83 1xdf s TYR 65 N -3.42 0.90 0.16 3.18 -0.85 -1.26 -1.37 117.35 114.70 1xdf s TYR 65 Ca 0.33 -0.56 0.11 0.00 -0.52 0.00 0.00 57.07 56.42 1xdf s TYR 65 Cb 0.07 -0.52 -0.04 0.00 0.38 0.00 0.00 41.96 41.85 1xdf s TYR 65 CO 0.12 -0.04 -0.24 0.14 -1.52 0.00 0.00 175.55 174.01 1xdf s VAL 66 N -1.80 2.20 -0.19 -3.49 -7.23 -0.89 -3.13 120.40 105.87 1xdf s VAL 66 Ca -0.03 -1.89 -0.09 0.00 -1.81 0.00 0.00 61.98 58.16 1xdf s VAL 66 Cb -0.07 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.82 1xdf s VAL 66 CO 0.00 -0.08 0.11 -0.76 -0.31 0.00 0.00 175.10 174.07 1xdf s LEU 67 N -2.42 4.11 -0.07 1.32 1.43 -1.26 -1.10 118.68 120.69 1xdf s LEU 67 Ca 0.17 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.48 1xdf s LEU 67 Cb -0.08 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 1xdf s LEU 67 CO 0.08 0.19 -0.08 -2.28 0.23 0.00 0.00 176.35 174.49 1xdf s HIS 68 N 0.28 2.89 -0.04 0.29 5.65 0.06 -0.59 115.29 123.83 1xdf s HIS 68 Ca 0.07 -0.05 0.06 0.00 0.25 0.00 0.00 55.06 55.39 1xdf s HIS 68 Cb -0.11 -1.71 -0.01 0.00 -1.18 0.00 0.00 32.58 29.56 1xdf s HIS 68 CO -0.01 0.27 -0.22 0.21 -0.65 0.00 0.00 174.74 174.34 1xdf s LYS 69 N -0.70 2.13 -0.24 2.88 2.20 0.02 -0.52 119.74 125.50 1xdf s LYS 69 Ca 0.11 -0.79 -0.23 0.00 -0.36 0.00 0.00 55.97 54.69 1xdf s LYS 69 Cb -0.11 -1.88 -0.01 0.00 -1.51 0.00 0.00 37.83 34.32 1xdf s LYS 69 CO 0.01 0.37 0.75 0.42 -0.36 0.00 0.00 175.35 176.55 1xdf s ILE 70 N -0.21 4.90 -0.17 5.43 1.01 0.03 -0.76 121.20 131.44 1xdf s ILE 70 Ca -0.00 1.41 -0.17 0.00 0.00 0.00 0.00 60.65 61.89 1xdf s ILE 70 Cb -0.12 -4.05 -0.22 0.00 0.01 0.00 0.00 42.46 38.09 1xdf s ILE 70 CO 0.02 -0.02 0.30 -0.33 0.00 0.00 0.00 174.94 174.91 1xdf h GLU 71 N 7.72 0.10 -1.99 2.79 4.39 -0.96 0.21 114.58 126.84 1xdf h GLU 71 Ca -0.25 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.23 1xdf h GLU 71 Cb 1.11 0.07 -0.21 0.00 -0.10 0.00 0.00 28.75 29.62 1xdf h GLU 71 CO 0.83 1.08 0.15 0.00 -1.16 0.00 0.00 179.01 179.91 1xdf s ALA 72 N -2.43 -1.78 -0.09 3.43 0.00 -0.60 -4.66 121.76 115.64 1xdf s ALA 72 Ca -0.26 1.89 -0.01 0.00 0.00 0.00 0.00 51.96 53.58 1xdf s ALA 72 Cb 0.06 -0.96 0.03 0.00 0.00 0.00 0.00 23.12 22.25 1xdf s ALA 72 CO 0.66 -0.34 -0.01 0.08 0.00 0.00 0.00 175.76 176.15 1xdf s VAL 73 N 0.08 0.50 -0.38 0.00 1.01 -1.26 -0.17 120.40 120.19 1xdf s VAL 73 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1xdf s VAL 73 Cb -0.04 -0.66 0.13 0.00 0.00 0.00 0.00 36.38 35.81 1xdf s VAL 73 CO 0.03 0.25 0.20 -0.62 0.00 0.00 0.00 175.10 174.95 1xdf s ASP 74 N 1.92 3.48 0.34 3.32 2.15 -0.12 -4.99 116.67 122.75 1xdf s ASP 74 Ca 0.05 -2.22 0.10 0.00 0.43 0.00 0.00 52.55 50.91 1xdf s ASP 74 Cb -0.13 -0.74 0.59 0.00 -0.30 0.00 0.00 42.92 42.34 1xdf s ASP 74 CO -0.06 -0.32 1.77 -0.08 -0.17 0.00 0.00 175.17 176.31 1xdf h GLU 75 N 7.17 0.10 -0.49 4.34 4.81 -1.96 -1.22 114.58 127.34 1xdf h GLU 75 Ca -0.02 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1xdf h GLU 75 Cb 0.96 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 1xdf h GLU 75 CO 0.40 0.48 0.25 0.00 -0.73 0.00 0.00 179.01 179.42 1xdf h ALA 76 N 1.51 1.52 -0.54 2.92 0.00 -1.95 -2.48 119.26 120.24 1xdf h ALA 76 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xdf h ALA 76 Cb 0.74 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xdf h ALA 76 CO 0.05 0.40 0.00 0.09 0.00 0.00 0.00 179.25 179.79 1xdf n ASN 77 N -4.40 3.95 -3.97 0.00 5.03 -1.05 -4.98 115.26 109.83 1xdf n ASN 77 Ca 0.04 -2.27 -0.30 0.00 0.87 0.00 0.00 54.58 52.93 1xdf n ASN 77 Cb 0.11 -0.45 0.01 0.00 -1.02 0.00 0.00 39.78 38.42 1xdf n ASN 77 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1xdf n LEU 78 N 0.91 -2.35 -4.73 3.41 4.77 -0.93 -4.60 117.00 113.48 1xdf n LEU 78 Ca 0.21 -0.88 -0.35 0.00 -0.03 0.00 0.00 56.01 54.95 1xdf n LEU 78 Cb 0.69 -2.40 -0.08 0.00 -2.33 0.00 0.00 43.42 39.30 1xdf n LEU 78 CO 0.17 0.41 -0.22 -0.13 -1.33 0.00 0.00 177.39 176.28 1xdf s ARG 79 N -6.61 3.70 -0.17 3.23 0.52 -0.50 -2.01 118.95 117.10 1xdf s ARG 79 Ca 0.49 -0.27 -0.04 0.00 -0.52 0.00 0.00 55.73 55.40 1xdf s ARG 79 Cb -0.26 -3.18 0.08 0.00 0.52 0.00 0.00 34.95 32.12 1xdf s ARG 79 CO 0.86 0.50 0.18 -0.47 0.02 0.00 0.00 175.30 176.39 1xdf s TYR 80 N -0.25 -0.16 -0.07 -0.53 5.04 -0.82 -0.94 117.35 119.61 1xdf s TYR 80 Ca 0.09 0.17 0.02 0.00 -2.44 0.00 0.00 57.07 54.92 1xdf s TYR 80 Cb -0.12 -0.42 -0.03 0.00 0.35 0.00 0.00 41.96 41.75 1xdf s TYR 80 CO 0.01 -0.52 -0.12 -0.80 -1.34 0.00 0.00 175.55 172.78 1xdf s ASN 81 N 2.28 4.23 0.17 4.32 0.02 0.76 -1.87 114.94 124.84 1xdf s ASN 81 Ca 0.05 -0.16 -0.13 0.00 -1.02 0.00 0.00 52.86 51.60 1xdf s ASN 81 Cb -0.15 -1.09 0.01 0.00 0.02 0.00 0.00 41.25 40.04 1xdf s ASN 81 CO -0.10 0.32 0.38 -0.72 0.02 0.00 0.00 177.10 176.99 1xdf s TYR 82 N -0.55 0.13 0.05 2.20 1.13 -0.42 -0.26 117.35 119.63 1xdf s TYR 82 Ca 0.08 -0.48 -0.02 0.00 -1.41 0.00 0.00 57.07 55.24 1xdf s TYR 82 Cb -0.12 0.14 -0.04 0.00 -1.10 0.00 0.00 41.96 40.85 1xdf s TYR 82 CO 0.02 -0.78 -0.01 -1.54 -2.51 0.00 0.00 175.55 170.73 1xdf s SER 83 N -2.91 0.45 -0.17 -0.18 1.04 0.06 -0.19 113.70 111.81 1xdf s SER 83 Ca 0.12 -0.96 -0.04 0.00 0.48 0.00 0.00 55.95 55.55 1xdf s SER 83 Cb 0.02 0.21 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 1xdf s SER 83 CO -0.03 -0.60 -0.04 -0.63 0.98 0.00 0.00 173.24 172.92 1xdf s ILE 84 N -3.84 3.78 0.06 -1.02 -1.09 -0.16 -0.80 121.20 118.13 1xdf s ILE 84 Ca 0.06 -0.39 0.02 0.00 -2.23 0.00 0.00 60.65 58.11 1xdf s ILE 84 Cb 0.07 -2.67 -0.04 0.00 -1.58 0.00 0.00 42.46 38.24 1xdf s ILE 84 CO -0.10 0.47 0.09 0.68 -1.23 0.00 0.00 174.94 174.86 1xdf s VAL 85 N 0.66 4.67 -0.17 2.92 -7.23 0.24 -2.17 120.40 119.32 1xdf s VAL 85 Ca -0.02 -0.65 -0.41 0.00 -1.81 0.00 0.00 61.98 59.10 1xdf s VAL 85 Cb -0.14 -3.23 -0.18 0.00 0.56 0.00 0.00 36.38 33.39 1xdf s VAL 85 CO 0.02 0.18 1.48 0.61 -0.31 0.00 0.00 175.10 177.08 1xdf n GLY 86 N 0.60 0.42 0.00 2.32 0.00 0.15 -4.54 105.19 104.14 1xdf n GLY 86 Ca -0.09 0.85 0.00 0.00 0.00 0.00 0.00 46.02 46.78 1xdf n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xdf n GLY 87 N 3.21 -0.05 0.37 -0.02 0.00 -1.26 -4.98 105.19 102.46 1xdf n GLY 87 Ca 0.24 -0.27 0.02 0.00 0.00 0.00 0.00 46.02 46.01 1xdf n GLY 87 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xdf h VAL 88 N 0.00 1.11 -0.03 1.61 2.07 -1.86 -1.85 116.25 117.30 1xdf h VAL 88 Ca 0.00 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1xdf h VAL 88 Cb 0.00 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.69 1xdf h VAL 88 CO 0.00 0.20 -0.13 0.61 0.02 0.00 0.00 177.57 178.27 1xdf n GLY 89 N -1.39 0.70 3.78 2.17 0.00 -1.18 -4.89 105.19 104.37 1xdf n GLY 89 Ca 0.13 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 1xdf n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xdf s LEU 90 N -2.11 3.82 0.84 0.99 1.43 -0.70 -4.89 118.68 118.06 1xdf s LEU 90 Ca 0.25 -0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 53.21 1xdf s LEU 90 Cb 0.19 -2.50 0.04 0.00 0.03 0.00 0.00 46.19 43.95 1xdf s LEU 90 CO 0.37 0.17 0.75 -2.65 0.23 0.00 0.00 176.35 175.22 1xdf n PRO 91 N 0.41 0.02 0.12 1.29 -0.02 -1.26 -4.61 135.00 130.95 1xdf n PRO 91 Ca -0.08 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1xdf n PRO 91 Cb 0.52 -2.08 0.31 0.00 -0.02 0.00 0.00 33.50 32.23 1xdf n PRO 91 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1xdf h ASP 92 N -1.03 0.19 0.00 2.55 3.32 -1.98 -1.96 116.42 117.51 1xdf h ASP 92 Ca -0.45 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1xdf h ASP 92 Cb 1.31 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1xdf h ASP 92 CO 0.41 0.50 0.00 0.35 -1.72 0.00 0.00 179.24 178.77 1xdf n THR 93 N -4.12 0.00 -4.18 0.35 -2.24 -1.26 -4.79 114.28 98.03 1xdf n THR 93 Ca -0.01 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.44 1xdf n THR 93 Cb 0.39 -0.54 -0.16 0.00 -2.10 0.00 0.00 70.33 67.92 1xdf n THR 93 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xdf s ILE 94 N -2.00 2.04 0.12 2.28 1.01 -0.74 -2.76 121.20 121.14 1xdf s ILE 94 Ca 0.34 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 60.02 1xdf s ILE 94 Cb 0.16 -1.84 -0.21 0.00 0.01 0.00 0.00 42.46 40.59 1xdf s ILE 94 CO 0.27 0.54 1.27 -0.08 0.00 0.00 0.00 174.94 176.93 1xdf h GLU 95 N 7.87 0.37 -1.57 2.79 4.57 -1.02 -3.40 114.58 124.20 1xdf h GLU 95 Ca -0.44 -0.44 0.08 0.00 -1.18 0.00 0.00 59.36 57.38 1xdf h GLU 95 Cb 1.15 0.14 -0.23 0.00 -0.16 0.00 0.00 28.75 29.64 1xdf h GLU 95 CO 0.62 1.13 0.54 0.21 -1.18 0.00 0.00 179.01 180.33 1xdf s LYS 96 N -3.12 0.59 -0.07 1.92 2.20 -1.22 0.31 119.74 120.36 1xdf s LYS 96 Ca -0.05 0.16 0.01 0.00 -0.36 0.00 0.00 55.97 55.74 1xdf s LYS 96 Cb 0.08 0.28 0.02 0.00 -1.51 0.00 0.00 37.83 36.70 1xdf s LYS 96 CO 0.87 -0.18 -0.10 -1.50 -0.36 0.00 0.00 175.35 174.08 1xdf s ILE 97 N -1.06 1.00 -0.02 5.43 2.07 -0.92 -0.72 121.20 126.98 1xdf s ILE 97 Ca -0.02 -0.37 0.01 0.00 -1.41 0.00 0.00 60.65 58.87 1xdf s ILE 97 Cb -0.01 -0.95 -0.03 0.00 0.13 0.00 0.00 42.46 41.60 1xdf s ILE 97 CO 0.01 0.33 -0.02 -0.44 -1.91 0.00 0.00 174.94 172.92 1xdf s SER 98 N 0.95 4.97 -0.21 4.50 0.01 0.53 -0.99 113.70 123.46 1xdf s SER 98 Ca -0.10 -0.02 -0.01 0.00 1.31 0.00 0.00 55.95 57.14 1xdf s SER 98 Cb -0.15 -1.28 0.01 0.00 0.21 0.00 0.00 66.02 64.82 1xdf s SER 98 CO 0.00 0.30 -0.13 -0.36 0.41 0.00 0.00 173.24 173.47 1xdf s PHE 99 N -1.00 2.90 -0.40 2.43 0.40 0.74 -1.08 117.98 121.96 1xdf s PHE 99 Ca 0.17 -1.44 -0.09 0.00 -0.60 0.00 0.00 56.93 54.96 1xdf s PHE 99 Cb -0.11 -2.00 0.06 0.00 0.51 0.00 0.00 43.02 41.48 1xdf s PHE 99 CO 0.07 -0.72 0.23 -1.21 0.70 0.00 0.00 175.22 174.29 1xdf s GLU 100 N 1.35 2.67 0.03 0.44 2.02 0.05 -1.30 118.70 123.96 1xdf s GLU 100 Ca 0.04 -1.31 0.05 0.00 0.02 0.00 0.00 54.97 53.77 1xdf s GLU 100 Cb -0.14 -3.73 -0.03 0.00 0.10 0.00 0.00 34.13 30.32 1xdf s GLU 100 CO -0.08 -0.85 -0.12 0.95 0.02 0.00 0.00 175.26 175.18 1xdf s THR 101 N 1.46 3.25 -0.02 3.63 -4.23 -0.78 -1.02 115.64 117.93 1xdf s THR 101 Ca 0.02 -0.99 0.01 0.00 -1.18 0.00 0.00 61.69 59.55 1xdf s THR 101 Cb -0.21 -2.40 0.01 0.00 1.34 0.00 0.00 72.50 71.23 1xdf s THR 101 CO 0.04 0.35 -0.02 -0.75 -0.54 0.00 0.00 174.62 173.70 1xdf s LYS 102 N -1.47 0.28 -0.13 3.99 2.20 0.45 -1.95 119.74 123.12 1xdf s LYS 102 Ca 0.16 -0.03 -0.06 0.00 -0.36 0.00 0.00 55.97 55.69 1xdf s LYS 102 Cb -0.11 -0.36 -0.04 0.00 -1.51 0.00 0.00 37.83 35.82 1xdf s LYS 102 CO 0.07 -0.03 0.08 -0.51 -0.36 0.00 0.00 175.35 174.61 1xdf s LEU 103 N 0.43 4.03 0.05 5.43 1.43 -0.85 -0.79 118.68 128.41 1xdf s LEU 103 Ca -0.04 0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.37 1xdf s LEU 103 Cb -0.07 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1xdf s LEU 103 CO -0.01 0.34 -0.09 0.54 0.23 0.00 0.00 176.35 177.36 1xdf s VAL 104 N -0.65 0.70 -0.04 -1.59 0.11 -0.47 -4.74 120.40 113.72 1xdf s VAL 104 Ca 0.12 -1.16 -0.30 0.00 -2.93 0.00 0.00 61.98 57.71 1xdf s VAL 104 Cb -0.12 -0.76 -0.04 0.00 -1.53 0.00 0.00 36.38 33.94 1xdf s VAL 104 CO 0.02 -0.35 1.20 -0.70 -3.33 0.00 0.00 175.10 171.94 1xdf s GLU 105 N -1.68 4.36 0.58 1.54 2.12 -1.26 -0.79 118.70 123.56 1xdf s GLU 105 Ca -0.07 1.68 -0.18 0.00 0.36 0.00 0.00 54.97 56.76 1xdf s GLU 105 Cb -0.10 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 1xdf s GLU 105 CO 0.01 -0.42 1.12 0.20 -0.54 0.00 0.00 175.26 175.63 1xdf s GLY 106 N 1.43 2.48 0.37 -1.50 0.00 -0.09 -4.79 107.32 105.21 1xdf s GLY 106 Ca 0.56 0.73 0.19 0.00 0.00 0.00 0.00 44.72 46.21 1xdf s GLY 106 CO 0.23 1.09 1.64 0.00 0.00 0.00 0.00 173.10 176.06 1xdf h ALA 107 N 0.83 2.18 -0.43 3.20 0.00 -1.95 0.13 119.26 123.21 1xdf h ALA 107 Ca -0.49 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1xdf h ALA 107 Cb 1.26 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1xdf h ALA 107 CO 0.56 -0.82 0.00 0.27 0.00 0.00 0.00 179.25 179.26 1xdf n ASN 108 N -5.01 2.56 0.00 0.00 0.23 -1.26 -4.92 115.26 106.86 1xdf n ASN 108 Ca 0.34 -1.95 0.00 0.00 -0.53 0.00 0.00 54.58 52.44 1xdf n ASN 108 Cb 1.14 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 38.56 1xdf n ASN 108 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xdf n GLY 109 N 1.28 0.36 0.00 4.83 0.00 0.44 -5.07 105.19 107.04 1xdf n GLY 109 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1xdf n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xdf n GLY 110 N -1.85 -1.51 3.40 -0.02 0.00 -1.26 -4.32 105.19 99.62 1xdf n GLY 110 Ca 0.00 -1.47 -0.27 0.00 0.00 0.00 0.00 46.02 44.28 1xdf n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xdf s SER 111 N -1.32 3.33 -0.14 1.61 0.01 0.12 -0.92 113.70 116.39 1xdf s SER 111 Ca 0.00 -0.82 0.01 0.00 1.31 0.00 0.00 55.95 56.46 1xdf s SER 111 Cb 0.00 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1xdf s SER 111 CO 0.00 0.13 -0.18 -0.63 0.41 0.00 0.00 173.24 172.97 1xdf s ILE 112 N -1.44 2.43 -0.32 1.44 1.01 0.03 -1.30 121.20 123.05 1xdf s ILE 112 Ca 0.18 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 1xdf s ILE 112 Cb -0.09 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.37 1xdf s ILE 112 CO 0.08 0.53 0.18 -0.83 0.00 0.00 0.00 174.94 174.91 1xdf s GLY 113 N 0.69 1.90 -0.26 6.18 0.00 0.09 -1.37 107.32 114.55 1xdf s GLY 113 Ca -0.09 -1.35 -0.11 0.00 0.00 0.00 0.00 44.72 43.18 1xdf s GLY 113 CO 0.01 0.71 0.17 0.54 0.00 0.00 0.00 173.10 174.54 1xdf s LYS 114 N 1.67 3.99 -0.05 2.90 1.02 0.03 -1.65 119.74 127.65 1xdf s LYS 114 Ca 0.05 -0.30 0.04 0.00 0.02 0.00 0.00 55.97 55.78 1xdf s LYS 114 Cb -0.17 -3.59 -0.00 0.00 -0.52 0.00 0.00 37.83 33.55 1xdf s LYS 114 CO 0.08 -0.07 -0.16 0.08 -0.92 0.00 0.00 175.35 174.35 1xdf s VAL 115 N 1.45 1.39 -0.21 3.17 1.01 -0.51 -0.41 120.40 126.29 1xdf s VAL 115 Ca 0.07 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 1xdf s VAL 115 Cb -0.15 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 1xdf s VAL 115 CO 0.08 0.40 -0.04 -0.89 0.00 0.00 0.00 175.10 174.65 1xdf s THR 116 N 0.16 3.51 -0.18 3.92 2.01 -0.19 -0.38 115.64 124.49 1xdf s THR 116 Ca -0.06 -0.46 -0.07 0.00 0.31 0.00 0.00 61.69 61.41 1xdf s THR 116 Cb -0.12 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 1xdf s THR 116 CO 0.03 0.43 0.05 -0.63 -0.69 0.00 0.00 174.62 173.81 1xdf s ILE 117 N 1.26 4.67 -0.21 1.82 1.01 -0.13 -0.77 121.20 128.85 1xdf s ILE 117 Ca 0.03 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.62 1xdf s ILE 117 Cb -0.14 -3.10 0.04 0.00 0.01 0.00 0.00 42.46 39.26 1xdf s ILE 117 CO -0.01 0.46 -0.15 -0.54 0.00 0.00 0.00 174.94 174.70 1xdf s LYS 118 N 0.38 2.56 -0.31 2.79 1.02 -0.24 -1.20 119.74 124.74 1xdf s LYS 118 Ca 0.02 -1.00 -0.12 0.00 0.02 0.00 0.00 55.97 54.90 1xdf s LYS 118 Cb -0.13 -2.63 -0.03 0.00 -0.52 0.00 0.00 37.83 34.51 1xdf s LYS 118 CO 0.01 -0.37 0.21 0.42 -0.92 0.00 0.00 175.35 174.70 1xdf s ILE 119 N 1.25 5.26 -0.27 2.17 1.01 -0.03 -0.35 121.20 130.25 1xdf s ILE 119 Ca -0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 60.65 60.50 1xdf s ILE 119 Cb -0.16 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1xdf s ILE 119 CO -0.09 0.14 0.27 -0.70 0.00 0.00 0.00 174.94 174.55 1xdf s GLU 120 N 1.74 4.00 0.18 2.79 2.12 0.10 -0.29 118.70 129.34 1xdf s GLU 120 Ca 0.07 -0.14 0.06 0.00 0.36 0.00 0.00 54.97 55.31 1xdf s GLU 120 Cb -0.17 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.55 1xdf s GLU 120 CO 0.11 -0.18 0.12 0.95 -0.54 0.00 0.00 175.26 175.71 1xdf s THR 121 N 1.77 4.32 0.11 -1.70 -4.23 0.27 -0.39 115.64 115.78 1xdf s THR 121 Ca 0.11 -1.20 -0.14 0.00 -1.18 0.00 0.00 61.69 59.28 1xdf s THR 121 Cb -0.16 -3.22 -0.09 0.00 1.34 0.00 0.00 72.50 70.38 1xdf s THR 121 CO 0.10 -0.15 1.41 0.11 -0.54 0.00 0.00 174.62 175.54 1xdf h LYS 122 N 2.33 0.77 0.00 3.99 1.57 -1.81 -0.70 116.57 122.71 1xdf h LYS 122 Ca -0.48 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 57.86 1xdf h LYS 122 Cb 1.21 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1xdf h LYS 122 CO 0.62 1.07 0.00 0.41 -0.57 0.00 0.00 179.45 180.98 1xdf n GLY 123 N 0.27 2.03 1.00 3.86 0.00 -1.26 -4.40 105.19 106.70 1xdf n GLY 123 Ca -0.04 -2.09 0.04 0.00 0.00 0.00 0.00 46.02 43.93 1xdf n GLY 123 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xdf n ASP 124 N -1.54 3.54 -3.98 1.61 8.00 -1.26 -1.90 116.55 121.02 1xdf n ASP 124 Ca 0.00 -3.22 -0.28 0.00 0.71 0.00 0.00 54.79 51.99 1xdf n ASP 124 Cb 0.00 -0.58 -0.17 0.00 -0.02 0.00 0.00 41.12 40.36 1xdf n ASP 124 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xdf s ALA 125 N -2.95 1.61 0.57 2.24 0.00 -1.26 -5.06 121.76 116.91 1xdf s ALA 125 Ca 0.43 -0.72 -0.19 0.00 0.00 0.00 0.00 51.96 51.48 1xdf s ALA 125 Cb 0.36 -0.95 -0.07 0.00 0.00 0.00 0.00 23.12 22.46 1xdf s ALA 125 CO 0.07 -0.34 0.76 1.04 0.00 0.00 0.00 175.76 177.28 1xdf n GLN 126 N 4.74 0.73 -1.76 0.00 1.13 -1.26 -4.85 117.38 116.11 1xdf n GLN 126 Ca -0.16 0.28 -0.41 0.00 -1.94 0.00 0.00 57.00 54.78 1xdf n GLN 126 Cb 0.50 -1.93 0.01 0.00 0.11 0.00 0.00 30.24 28.93 1xdf n GLN 126 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1xdf n PRO 127 N -0.49 2.34 -0.66 -1.09 -0.04 -1.26 -4.98 135.00 128.82 1xdf n PRO 127 Ca 0.13 0.83 -0.31 0.00 -0.04 0.00 0.00 63.50 64.10 1xdf n PRO 127 Cb 0.47 -2.60 0.18 0.00 -0.04 0.00 0.00 33.50 31.50 1xdf n PRO 127 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1xdf n ASN 128 N 0.09 0.03 -0.36 3.54 0.23 -1.26 -4.76 115.26 112.76 1xdf n ASN 128 Ca 0.04 0.36 0.05 0.00 -0.53 0.00 0.00 54.58 54.50 1xdf n ASN 128 Cb 0.40 -1.45 0.20 0.00 -2.08 0.00 0.00 39.78 36.86 1xdf n ASN 128 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1xdf h GLU 129 N -1.96 1.06 -0.05 -3.83 3.07 -2.00 -2.54 114.58 108.33 1xdf h GLU 129 Ca -0.45 -0.06 -0.11 0.00 -0.50 0.00 0.00 59.36 58.24 1xdf h GLU 129 Cb 1.28 -0.24 0.01 0.00 -0.84 0.00 0.00 28.75 28.95 1xdf h GLU 129 CO 0.41 0.70 -0.39 0.93 -1.40 0.00 0.00 179.01 179.26 1xdf h GLU 130 N 1.09 0.35 -0.28 2.33 5.08 -1.98 -1.50 114.58 119.67 1xdf h GLU 130 Ca 0.46 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1xdf h GLU 130 Cb 0.31 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1xdf h GLU 130 CO -0.22 0.97 0.01 0.93 -1.00 0.00 0.00 179.01 179.70 1xdf h GLU 131 N -0.16 0.41 -0.01 2.33 5.08 -1.89 0.44 114.58 120.77 1xdf h GLU 131 Ca -0.03 -0.07 -0.24 0.00 -1.00 0.00 0.00 59.36 58.01 1xdf h GLU 131 Cb 1.07 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.26 1xdf h GLU 131 CO 0.08 0.43 -0.97 0.78 -1.00 0.00 0.00 179.01 178.33 1xdf h GLY 132 N 0.71 0.64 1.32 -3.84 0.00 -1.35 -1.57 103.07 98.97 1xdf h GLY 132 Ca 0.09 -1.09 -0.04 0.00 0.00 0.00 0.00 47.33 46.29 1xdf h GLY 132 CO 0.01 0.97 0.20 1.70 0.00 0.00 0.00 176.54 179.41 1xdf h LYS 133 N 0.33 0.87 -0.21 4.80 3.64 -0.29 -0.79 116.57 124.92 1xdf h LYS 133 Ca -0.10 -0.15 -0.14 0.00 -1.27 0.00 0.00 60.65 58.99 1xdf h LYS 133 Cb 1.61 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 1xdf h LYS 133 CO 0.18 0.74 -0.42 0.00 -2.27 0.00 0.00 179.45 177.68 1xdf h ALA 134 N 1.37 0.33 -0.42 5.00 0.00 -0.02 -1.25 119.26 124.27 1xdf h ALA 134 Ca 0.20 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1xdf h ALA 134 Cb 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1xdf h ALA 134 CO -0.01 0.45 0.19 0.00 0.00 0.00 0.00 179.25 179.88 1xdf h ALA 135 N 0.61 0.54 -0.77 0.00 0.00 -1.19 -2.68 119.26 115.77 1xdf h ALA 135 Ca 0.01 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1xdf h ALA 135 Cb 1.02 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 1xdf h ALA 135 CO 0.09 0.11 0.46 -0.22 0.00 0.00 0.00 179.25 179.69 1xdf h LYS 136 N 0.53 0.82 -0.64 0.00 3.64 -1.06 -2.62 116.57 117.25 1xdf h LYS 136 Ca 0.14 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1xdf h LYS 136 Cb 0.13 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 1xdf h LYS 136 CO -0.02 0.54 0.42 0.00 -2.27 0.00 0.00 179.45 178.12 1xdf h ALA 137 N 1.38 1.71 -0.66 5.00 0.00 -1.02 -1.03 119.26 124.64 1xdf h ALA 137 Ca 0.34 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1xdf h ALA 137 Cb 0.17 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1xdf h ALA 137 CO -0.17 0.21 0.44 0.00 0.00 0.00 0.00 179.25 179.72 1xdf h ARG 138 N 0.70 0.77 0.00 0.00 2.47 -1.13 -2.06 114.38 115.14 1xdf h ARG 138 Ca 0.26 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.94 1xdf h ARG 138 Cb 0.16 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 1xdf h ARG 138 CO -0.08 0.51 0.00 0.41 0.56 0.00 0.00 179.97 181.38 1xdf n GLY 139 N -1.45 -1.45 0.11 0.04 0.00 -0.42 -3.79 105.19 98.24 1xdf n GLY 139 Ca 0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 1xdf n GLY 139 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xdf h ASP 140 N 0.00 0.00 -1.08 1.61 3.32 -1.07 -2.48 116.42 116.72 1xdf h ASP 140 Ca 0.00 0.00 0.29 0.00 0.02 0.00 0.00 57.03 57.34 1xdf h ASP 140 Cb 0.52 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.97 1xdf h ASP 140 CO 0.00 0.76 0.70 0.00 -1.72 0.00 0.00 179.24 178.98 1xdf h ALA 141 N 1.24 2.35 -0.02 3.45 0.00 -1.68 -0.33 119.26 124.28 1xdf h ALA 141 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xdf h ALA 141 Cb 1.34 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1xdf h ALA 141 CO 0.10 -0.78 -0.05 1.19 0.00 0.00 0.00 179.25 179.70 1xdf n PHE 142 N -4.60 0.00 0.00 0.00 3.01 -0.93 -4.03 117.46 110.90 1xdf n PHE 142 Ca 0.27 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.73 1xdf n PHE 142 Cb 0.97 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.42 1xdf n PHE 142 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1xdf n PHE 143 N 0.23 0.00 -0.28 1.38 7.35 -0.72 -4.85 117.46 120.57 1xdf n PHE 143 Ca 0.17 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.95 1xdf n PHE 143 Cb 0.40 0.00 0.24 0.00 0.35 0.00 0.00 39.48 40.47 1xdf n PHE 143 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1xdf h LYS 144 N 0.00 0.35 -0.22 -4.13 3.64 -1.82 -1.20 116.57 113.19 1xdf h LYS 144 Ca 0.00 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1xdf h LYS 144 Cb 0.00 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1xdf h LYS 144 CO 0.00 0.23 -0.33 0.00 -2.27 0.00 0.00 179.45 177.08 1xdf h ALA 145 N 1.65 1.02 -0.28 5.00 0.00 -1.30 -1.01 119.26 124.35 1xdf h ALA 145 Ca 0.48 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1xdf h ALA 145 Cb 0.85 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1xdf h ALA 145 CO -0.50 0.59 -0.17 0.82 0.00 0.00 0.00 179.25 179.99 1xdf h ILE 146 N 0.39 1.30 -0.36 0.00 2.04 -1.42 -2.09 117.51 117.38 1xdf h ILE 146 Ca 0.05 -1.29 -0.03 0.00 1.00 0.00 0.00 64.86 64.59 1xdf h ILE 146 Cb 0.77 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 1xdf h ILE 146 CO 0.06 0.41 0.11 -0.08 0.00 0.00 0.00 178.15 178.65 1xdf h GLU 147 N 0.34 0.51 -0.26 2.37 4.22 -1.06 -1.37 114.58 119.33 1xdf h GLU 147 Ca 0.06 -0.07 -0.06 0.00 0.08 0.00 0.00 59.36 59.36 1xdf h GLU 147 Cb 0.70 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1xdf h GLU 147 CO 0.05 0.45 -0.08 -0.91 -2.18 0.00 0.00 179.01 176.34 1xdf h ASN 148 N 0.50 0.52 -0.54 1.04 4.21 -1.06 -1.56 115.58 118.69 1xdf h ASN 148 Ca 0.12 -0.38 -0.06 0.00 1.21 0.00 0.00 56.30 57.20 1xdf h ASN 148 Cb 0.16 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.19 1xdf h ASN 148 CO -0.01 0.78 0.11 0.22 -1.29 0.00 0.00 177.43 177.25 1xdf h TYR 149 N 0.26 0.93 -0.55 1.19 3.20 -1.13 -3.15 116.97 117.72 1xdf h TYR 149 Ca 0.06 -0.12 -0.07 0.00 3.14 0.00 0.00 58.73 61.74 1xdf h TYR 149 Cb 0.56 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1xdf h TYR 149 CO 0.05 0.82 0.05 -0.07 -1.64 0.00 0.00 178.16 177.37 1xdf h LEU 150 N 0.78 0.88 -1.72 2.82 3.38 -1.19 -2.70 115.31 117.54 1xdf h LEU 150 Ca 0.17 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1xdf h LEU 150 Cb 0.37 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1xdf h LEU 150 CO 0.01 0.91 -0.18 0.77 0.09 0.00 0.00 178.44 180.04 1xdf h SER 151 N 0.86 0.00 -0.14 -0.43 4.64 -1.24 -1.27 113.55 115.97 1xdf h SER 151 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1xdf h SER 151 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1xdf h SER 151 CO 0.02 0.18 0.00 0.00 -0.87 0.00 0.00 176.83 176.15 1xdf n ALA 152 N -2.39 2.49 -2.50 5.18 0.00 -1.14 -4.74 120.51 117.40 1xdf n ALA 152 Ca -0.02 -0.67 -0.38 0.00 0.00 0.00 0.00 53.44 52.36 1xdf n ALA 152 Cb 0.26 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 1xdf n ALA 152 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1xdf s HIS 153 N -1.84 3.73 0.42 0.00 5.04 -0.48 -5.00 115.29 117.16 1xdf s HIS 153 Ca 0.34 1.00 0.21 0.00 -1.54 0.00 0.00 55.06 55.06 1xdf s HIS 153 Cb 0.20 -2.29 1.16 0.00 0.04 0.00 0.00 32.58 31.70 1xdf s HIS 153 CO 0.31 0.65 1.80 -1.35 -2.34 0.00 0.00 174.74 173.80 1xdf h PRO 154 N 4.70 0.33 0.00 2.88 0.11 -1.93 -2.49 132.00 135.61 1xdf h PRO 154 Ca -0.52 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 1xdf h PRO 154 Cb 1.22 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1xdf h PRO 154 CO 0.61 0.22 -0.29 1.49 -0.21 0.00 0.00 178.00 179.82 1xdf h GLU 155 N 0.34 0.00 -0.39 1.05 4.81 -1.94 -3.11 114.58 115.34 1xdf h GLU 155 Ca 0.56 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 1xdf h GLU 155 Cb 1.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.90 1xdf h GLU 155 CO -0.23 0.29 0.00 0.66 -0.73 0.00 0.00 179.01 179.01 1xdf n TYR 156 N -3.66 0.85 1.32 0.92 4.02 -0.94 -5.18 117.16 114.48 1xdf n TYR 156 Ca -0.01 -0.65 0.13 0.00 -0.01 0.00 0.00 57.90 57.37 1xdf n TYR 156 Cb 0.41 -0.17 0.37 0.00 -0.02 0.00 0.00 39.34 39.94 1xdf n TYR 156 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94