#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 0.32 -0.24 1.61 1.01 -1.26 -1.27 120.40 120.57 1xdf s VAL 2 Ca 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 1xdf s VAL 2 Cb 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 1xdf s VAL 2 CO 0.00 0.21 0.03 0.12 0.00 0.00 0.00 175.10 175.46 1xdf s PHE 3 N 1.47 3.05 -0.12 5.22 2.19 0.17 -4.93 117.98 125.03 1xdf s PHE 3 Ca -0.03 -0.70 -0.02 0.00 0.33 0.00 0.00 56.93 56.51 1xdf s PHE 3 Cb -0.13 -2.19 -0.03 0.00 -1.31 0.00 0.00 43.02 39.36 1xdf s PHE 3 CO -0.03 -0.46 -0.06 0.99 1.83 0.00 0.00 175.22 177.49 1xdf s THR 4 N 1.55 3.76 0.26 0.12 2.01 -1.26 -0.12 115.64 121.95 1xdf s THR 4 Ca 0.06 -0.43 -0.11 0.00 0.31 0.00 0.00 61.69 61.52 1xdf s THR 4 Cb -0.15 -2.60 -0.00 0.00 0.01 0.00 0.00 72.50 69.76 1xdf s THR 4 CO 0.01 0.54 0.47 0.72 -0.69 0.00 0.00 174.62 175.66 1xdf s PHE 5 N -0.09 0.47 0.06 4.92 -0.71 -0.40 -4.99 117.98 117.24 1xdf s PHE 5 Ca 0.01 -0.82 0.09 0.00 -1.04 0.00 0.00 56.93 55.17 1xdf s PHE 5 Cb -0.13 0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.79 1xdf s PHE 5 CO 0.03 -1.00 -0.23 -1.21 -1.34 0.00 0.00 175.22 171.47 1xdf s GLU 6 N -3.88 1.84 0.18 1.99 2.02 -1.26 -0.59 118.70 118.99 1xdf s GLU 6 Ca 0.24 -1.11 0.03 0.00 0.02 0.00 0.00 54.97 54.15 1xdf s GLU 6 Cb -0.00 -2.06 -0.05 0.00 0.10 0.00 0.00 34.13 32.12 1xdf s GLU 6 CO 0.10 0.51 -0.02 0.34 0.02 0.00 0.00 175.26 176.21 1xdf s ASP 7 N -1.53 1.47 0.00 -0.19 3.68 0.97 -4.97 116.67 116.11 1xdf s ASP 7 Ca 0.14 -1.15 0.00 0.00 2.13 0.00 0.00 52.55 53.67 1xdf s ASP 7 Cb -0.10 0.07 -0.00 0.00 -1.45 0.00 0.00 42.92 41.43 1xdf s ASP 7 CO 0.05 -0.51 -0.01 -0.70 0.13 0.00 0.00 175.17 174.13 1xdf s GLU 8 N -3.87 0.06 0.24 4.34 2.12 -1.26 -1.81 118.70 118.51 1xdf s GLU 8 Ca 0.23 -0.08 0.03 0.00 0.36 0.00 0.00 54.97 55.51 1xdf s GLU 8 Cb 0.05 -0.01 -0.05 0.00 0.26 0.00 0.00 34.13 34.38 1xdf s GLU 8 CO 0.04 0.00 0.03 -1.54 -0.54 0.00 0.00 175.26 173.25 1xdf s SER 9 N -0.17 1.65 0.23 -1.70 1.04 0.55 -4.97 113.70 110.33 1xdf s SER 9 Ca -0.02 -1.27 0.08 0.00 0.48 0.00 0.00 55.95 55.22 1xdf s SER 9 Cb -0.01 0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.11 1xdf s SER 9 CO -0.00 -0.58 -0.13 0.42 0.98 0.00 0.00 173.24 173.93 1xdf s THR 10 N -3.52 1.80 -0.02 2.02 -4.23 -1.26 0.08 115.64 110.51 1xdf s THR 10 Ca 0.31 -2.21 -0.11 0.00 -1.18 0.00 0.00 61.69 58.50 1xdf s THR 10 Cb 0.07 -2.18 0.01 0.00 1.34 0.00 0.00 72.50 71.74 1xdf s THR 10 CO 0.10 -0.50 0.22 -0.55 -0.54 0.00 0.00 174.62 173.36 1xdf s SER 11 N -3.37 -0.11 0.13 3.99 0.15 -0.80 -4.92 113.70 108.78 1xdf s SER 11 Ca 0.25 0.02 0.26 0.00 0.70 0.00 0.00 55.95 57.18 1xdf s SER 11 Cb -0.00 0.30 0.96 0.00 -1.71 0.00 0.00 66.02 65.56 1xdf s SER 11 CO 0.09 -0.36 1.80 0.35 1.20 0.00 0.00 173.24 176.33 1xdf n THR 12 N 1.61 0.44 -2.62 6.45 -2.24 -1.26 -1.32 114.28 115.34 1xdf n THR 12 Ca -0.21 -0.11 -0.40 0.00 -2.27 0.00 0.00 64.05 61.06 1xdf n THR 12 Cb 0.56 -0.64 -0.05 0.00 -2.10 0.00 0.00 70.33 68.10 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 -3.08 3.80 0.57 2.28 1.01 -1.26 -4.59 121.20 119.93 1xdf s ILE 13 Ca 0.11 1.79 -0.18 0.00 0.00 0.00 0.00 60.65 62.37 1xdf s ILE 13 Cb 0.14 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1xdf s ILE 13 CO 0.54 0.41 1.11 0.00 0.00 0.00 0.00 174.94 177.00 1xdf s ALA 14 N -1.20 2.65 0.16 9.38 0.00 -1.26 -2.90 121.76 128.60 1xdf s ALA 14 Ca 0.43 0.70 -0.15 0.00 0.00 0.00 0.00 51.96 52.94 1xdf s ALA 14 Cb -0.28 -3.33 0.09 0.00 0.00 0.00 0.00 23.12 19.59 1xdf s ALA 14 CO 0.36 -0.87 1.76 -1.35 0.00 0.00 0.00 175.76 175.65 1xdf h PRO 15 N 0.86 0.31 -0.70 0.00 0.11 -1.80 -1.98 132.00 128.81 1xdf h PRO 15 Ca -0.49 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.68 1xdf h PRO 15 Cb 1.25 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 1xdf h PRO 15 CO 0.56 0.21 0.37 0.00 -0.21 0.00 0.00 178.00 178.93 1xdf h ALA 16 N 1.25 0.96 -0.15 -0.75 0.00 -1.98 -0.80 119.26 117.79 1xdf h ALA 16 Ca 0.18 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1xdf h ALA 16 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1xdf h ALA 16 CO -0.17 0.01 -0.30 0.00 0.00 0.00 0.00 179.25 178.78 1xdf h ARG 17 N 0.66 0.47 -0.53 0.00 3.08 -1.78 -2.46 114.38 113.81 1xdf h ARG 17 Ca 0.33 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 60.08 1xdf h ARG 17 Cb 0.28 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 1xdf h ARG 17 CO -0.23 0.91 0.35 1.25 -1.07 0.00 0.00 179.97 181.18 1xdf h LEU 18 N 0.08 0.60 -0.80 3.04 5.85 -1.20 -2.83 115.31 120.04 1xdf h LEU 18 Ca 0.00 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1xdf h LEU 18 Cb 0.90 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 1xdf h LEU 18 CO 0.07 0.43 0.41 0.22 -0.34 0.00 0.00 178.44 179.23 1xdf h TYR 19 N 0.71 1.13 -0.50 1.25 3.20 -1.09 -1.43 116.97 120.23 1xdf h TYR 19 Ca 0.20 -0.04 0.07 0.00 3.14 0.00 0.00 58.73 62.09 1xdf h TYR 19 Cb -0.06 -0.36 -0.06 0.00 1.54 0.00 0.00 36.73 37.80 1xdf h TYR 19 CO -0.04 0.81 0.19 -0.22 -1.64 0.00 0.00 178.16 177.25 1xdf h LYS 20 N 1.12 0.36 -0.76 1.82 3.64 -1.23 -1.19 116.57 120.35 1xdf h LYS 20 Ca 0.28 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1xdf h LYS 20 Cb 0.08 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1xdf h LYS 20 CO -0.04 0.24 0.33 0.00 -2.27 0.00 0.00 179.45 177.71 1xdf h ALA 21 N 1.33 0.98 -0.79 5.00 0.00 -1.16 0.15 119.26 124.76 1xdf h ALA 21 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xdf h ALA 21 Cb 0.24 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1xdf h ALA 21 CO -0.23 0.58 0.50 -0.07 0.00 0.00 0.00 179.25 180.03 1xdf h LEU 22 N 1.08 0.92 0.00 0.00 3.38 -0.21 -1.67 115.31 118.81 1xdf h LEU 22 Ca 0.25 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1xdf h LEU 22 Cb 0.18 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1xdf h LEU 22 CO -0.03 0.69 -1.32 1.33 0.09 0.00 0.00 178.44 179.20 1xdf n VAL 23 N -4.51 0.11 -0.11 1.22 0.24 -0.67 -4.29 118.33 110.32 1xdf n VAL 23 Ca 0.08 -0.17 -0.15 0.00 -2.04 0.00 0.00 64.34 62.06 1xdf n VAL 23 Cb 0.03 0.03 -0.12 0.00 -1.47 0.00 0.00 33.84 32.31 1xdf n VAL 23 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1xdf n LYS 24 N -1.86 0.70 -0.13 7.34 4.81 0.48 -4.68 118.16 124.84 1xdf n LYS 24 Ca -0.03 0.09 0.05 0.00 -0.87 0.00 0.00 58.31 57.55 1xdf n LYS 24 Cb 0.31 -1.49 0.11 0.00 0.02 0.00 0.00 35.03 33.99 1xdf n LYS 24 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1xdf n ASP 25 N -3.05 2.63 -0.26 3.14 8.00 -0.99 -4.67 116.55 121.35 1xdf n ASP 25 Ca -0.39 -1.92 0.03 0.00 0.71 0.00 0.00 54.79 53.22 1xdf n ASP 25 Cb 1.01 -0.17 0.16 0.00 -0.02 0.00 0.00 41.12 42.10 1xdf n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xdf h ALA 26 N 1.68 1.06 -0.32 2.24 0.00 -1.49 -2.20 119.26 120.25 1xdf h ALA 26 Ca 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1xdf h ALA 26 Cb 0.65 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1xdf h ALA 26 CO 0.00 -0.06 -0.10 -0.44 0.00 0.00 0.00 179.25 178.65 1xdf h ASP 27 N 0.61 0.51 0.14 0.00 3.32 -1.89 0.82 116.42 119.93 1xdf h ASP 27 Ca 0.38 -0.13 -0.18 0.00 0.02 0.00 0.00 57.03 57.12 1xdf h ASP 27 Cb 0.45 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1xdf h ASP 27 CO -0.30 0.65 -0.68 0.00 -1.72 0.00 0.00 179.24 177.19 1xdf h ALA 28 N 1.41 0.59 0.20 3.45 0.00 -1.80 -3.37 119.26 119.74 1xdf h ALA 28 Ca 0.09 -0.58 -0.34 0.00 0.00 0.00 0.00 54.91 54.08 1xdf h ALA 28 Cb 0.47 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.22 1xdf h ALA 28 CO 0.03 0.73 -1.64 0.82 0.00 0.00 0.00 179.25 179.18 1xdf h ILE 29 N 0.35 1.04 -0.83 0.00 2.04 -0.73 -3.40 117.51 115.99 1xdf h ILE 29 Ca -0.02 -2.55 0.08 0.00 1.00 0.00 0.00 64.86 63.37 1xdf h ILE 29 Cb 1.26 2.84 -0.07 0.00 -0.74 0.00 0.00 36.82 40.11 1xdf h ILE 29 CO 0.12 0.83 0.49 0.40 0.00 0.00 0.00 178.15 179.99 1xdf h ILE 30 N 0.08 0.95 0.00 -0.67 2.04 -1.03 -0.54 117.51 118.35 1xdf h ILE 30 Ca -0.32 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.19 1xdf h ILE 30 Cb 2.09 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1xdf h ILE 30 CO 0.20 0.15 -0.32 -0.65 0.00 0.00 0.00 178.15 177.53 1xdf h PRO 31 N 0.84 0.00 0.00 2.37 0.11 -1.78 -1.76 132.00 131.78 1xdf h PRO 31 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 1xdf h PRO 31 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.41 1xdf h PRO 31 CO -0.22 0.32 -0.01 0.87 -0.21 0.00 0.00 178.00 178.75 1xdf h LYS 32 N 0.00 0.00 0.00 1.05 1.57 -1.39 -3.37 116.57 114.43 1xdf h LYS 32 Ca -0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 1xdf h LYS 32 Cb 0.77 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.04 1xdf h LYS 32 CO 0.04 0.00 -2.10 0.00 -0.57 0.00 0.00 179.45 176.82 1xdf n ALA 33 N -1.87 1.94 -3.81 3.86 0.00 -0.35 -4.68 120.51 115.59 1xdf n ALA 33 Ca 0.05 -0.96 -0.30 0.00 0.00 0.00 0.00 53.44 52.23 1xdf n ALA 33 Cb 0.46 -0.49 -0.14 0.00 0.00 0.00 0.00 19.45 19.28 1xdf n ALA 33 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xdf s VAL 34 N -2.86 1.84 0.00 0.00 1.01 -0.70 -4.90 120.40 114.79 1xdf s VAL 34 Ca -0.08 -2.77 0.00 0.00 0.00 0.00 0.00 61.98 59.13 1xdf s VAL 34 Cb 0.09 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 34.17 1xdf s VAL 34 CO 0.85 -0.84 0.00 -0.62 0.00 0.00 0.00 175.10 174.49 1xdf n GLU 35 N 3.48 0.00 -0.26 2.72 4.71 -1.26 0.01 120.64 130.03 1xdf n GLU 35 Ca 0.07 0.00 0.19 0.00 -0.01 0.00 0.00 57.16 57.41 1xdf n GLU 35 Cb 0.34 0.00 0.51 0.00 -1.01 0.00 0.00 31.44 31.28 1xdf n GLU 35 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1xdf h ALA 36 N 0.00 2.20 -2.09 0.62 0.00 -1.91 -3.39 119.26 114.68 1xdf h ALA 36 Ca 0.00 0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.37 1xdf h ALA 36 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1xdf h ALA 36 CO 0.00 -0.50 0.94 0.42 0.00 0.00 0.00 179.25 180.11 1xdf s ILE 37 N -5.45 4.19 -0.14 0.00 1.01 0.10 -1.65 121.20 119.26 1xdf s ILE 37 Ca -0.08 1.41 -0.13 0.00 0.00 0.00 0.00 60.65 61.84 1xdf s ILE 37 Cb 0.23 -4.01 -0.25 0.00 0.01 0.00 0.00 42.46 38.44 1xdf s ILE 37 CO 0.79 -0.24 0.38 1.56 0.00 0.00 0.00 174.94 177.43 1xdf h GLN 38 N 8.68 0.19 -2.58 2.79 1.08 -1.38 -3.41 115.11 120.49 1xdf h GLN 38 Ca -0.27 -0.33 0.06 0.00 -1.45 0.00 0.00 58.65 56.66 1xdf h GLN 38 Cb 1.11 0.12 -0.14 0.00 -0.05 0.00 0.00 27.48 28.52 1xdf h GLN 38 CO 0.99 1.16 0.38 -1.54 -0.95 0.00 0.00 178.83 178.86 1xdf s SER 39 N -7.00 -0.44 -0.05 1.46 1.04 -1.11 -4.94 113.70 102.66 1xdf s SER 39 Ca -0.23 -0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.20 1xdf s SER 39 Cb 0.06 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.67 1xdf s SER 39 CO 0.72 -0.78 -0.11 -0.63 0.98 0.00 0.00 173.24 173.42 1xdf s ILE 40 N -3.39 1.04 0.03 -1.02 1.01 -1.26 -0.80 121.20 116.82 1xdf s ILE 40 Ca 0.04 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.26 1xdf s ILE 40 Cb -0.01 -0.94 -0.02 0.00 0.01 0.00 0.00 42.46 41.50 1xdf s ILE 40 CO -0.10 0.33 -0.08 -1.83 0.00 0.00 0.00 174.94 173.26 1xdf s GLU 41 N 0.50 0.55 -0.11 2.79 -1.05 -0.65 -5.00 118.70 115.73 1xdf s GLU 41 Ca -0.10 -0.61 -0.30 0.00 -0.15 0.00 0.00 54.97 53.81 1xdf s GLU 41 Cb -0.14 -0.40 -0.02 0.00 -0.44 0.00 0.00 34.13 33.14 1xdf s GLU 41 CO 0.02 0.09 1.11 0.99 0.95 0.00 0.00 175.26 178.42 1xdf s THR 42 N -0.99 4.52 -0.09 1.83 2.01 -1.26 -1.00 115.64 120.66 1xdf s THR 42 Ca -0.05 1.82 0.21 0.00 0.31 0.00 0.00 61.69 63.97 1xdf s THR 42 Cb -0.08 -4.17 -0.27 0.00 0.01 0.00 0.00 72.50 67.99 1xdf s THR 42 CO 0.00 -0.04 0.52 0.52 -0.69 0.00 0.00 174.62 174.93 1xdf n VAL 43 N 4.77 0.35 -3.64 3.82 0.31 -0.16 -4.95 118.33 118.84 1xdf n VAL 43 Ca 0.11 -0.57 -0.08 0.00 -0.01 0.00 0.00 64.34 63.78 1xdf n VAL 43 Cb 0.47 -0.15 -0.07 0.00 -0.91 0.00 0.00 33.84 33.18 1xdf n VAL 43 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1xdf s GLU 44 N -3.32 0.66 0.00 5.55 2.56 -1.15 -4.99 118.70 118.01 1xdf s GLU 44 Ca -0.07 0.98 0.00 0.00 0.00 0.00 0.00 54.97 55.88 1xdf s GLU 44 Cb 0.12 0.22 0.00 0.00 2.00 0.00 0.00 34.13 36.47 1xdf s GLU 44 CO 0.88 -0.11 0.00 0.41 -0.56 0.00 0.00 175.26 175.88 1xdf n GLY 45 N 3.45 1.08 0.35 -1.50 0.00 -1.26 -1.39 105.19 105.93 1xdf n GLY 45 Ca -0.17 -2.04 0.06 0.00 0.00 0.00 0.00 46.02 43.88 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 0.00 1.58 0.00 1.61 5.03 -1.26 -4.94 115.26 117.28 1xdf n ASN 46 Ca 0.00 -1.29 0.00 0.00 0.87 0.00 0.00 54.58 54.16 1xdf n ASN 46 Cb 0.00 0.35 0.00 0.00 -1.02 0.00 0.00 39.78 39.11 1xdf n ASN 46 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xdf n GLY 47 N 0.94 0.91 0.00 7.41 0.00 -1.26 -5.11 105.19 108.08 1xdf n GLY 47 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 2.23 3.60 -0.02 0.00 -1.26 -4.94 105.19 104.80 1xdf n GLY 48 Ca 0.00 -2.11 -0.45 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.67 1.44 0.00 1.61 -0.02 -1.26 -1.53 135.00 134.58 1xdf n PRO 49 Ca 0.00 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1xdf n PRO 49 Cb 0.00 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 1.51 3.10 3.72 -1.23 0.00 0.30 -4.98 105.19 107.61 1xdf n GLY 50 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.57 3.60 -0.15 2.61 2.01 -0.58 -4.76 115.64 115.79 1xdf s THR 51 Ca 0.00 1.20 -0.02 0.00 0.31 0.00 0.00 61.69 63.19 1xdf s THR 51 Cb 0.00 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 1xdf s THR 51 CO 0.00 0.12 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.33 1xdf s ILE 52 N 0.72 3.32 -0.03 1.82 -1.09 -0.48 -1.41 121.20 124.04 1xdf s ILE 52 Ca 0.59 -0.56 0.08 0.00 -2.23 0.00 0.00 60.65 58.53 1xdf s ILE 52 Cb -0.33 -2.43 -0.02 0.00 -1.58 0.00 0.00 42.46 38.10 1xdf s ILE 52 CO 0.32 0.50 -0.26 -0.54 -1.23 0.00 0.00 174.94 173.74 1xdf s LYS 53 N 0.54 2.16 -0.25 2.79 1.02 0.72 -0.98 119.74 125.73 1xdf s LYS 53 Ca -0.06 -0.92 -0.11 0.00 0.02 0.00 0.00 55.97 54.90 1xdf s LYS 53 Cb -0.15 -2.04 -0.05 0.00 -0.52 0.00 0.00 37.83 35.07 1xdf s LYS 53 CO 0.03 0.53 0.19 0.21 -0.92 0.00 0.00 175.35 175.39 1xdf s LYS 54 N -0.54 4.05 -0.10 1.68 2.20 -0.17 -0.37 119.74 126.49 1xdf s LYS 54 Ca 0.08 -0.24 -0.12 0.00 -0.36 0.00 0.00 55.97 55.33 1xdf s LYS 54 Cb -0.10 -3.57 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 1xdf s LYS 54 CO -0.00 -0.01 0.29 -0.51 -0.36 0.00 0.00 175.35 174.76 1xdf s LEU 55 N 1.25 4.36 -0.16 5.43 2.01 -0.02 -1.64 118.68 129.91 1xdf s LEU 55 Ca 0.08 0.65 -0.06 0.00 0.01 0.00 0.00 54.13 54.81 1xdf s LEU 55 Cb -0.14 -2.37 -0.04 0.00 0.01 0.00 0.00 46.19 43.65 1xdf s LEU 55 CO 0.06 0.25 0.05 -0.89 1.01 0.00 0.00 176.35 176.84 1xdf s THR 56 N -0.44 4.69 0.09 5.49 2.01 0.02 -2.47 115.64 125.03 1xdf s THR 56 Ca 0.19 -0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.18 1xdf s THR 56 Cb -0.14 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 1xdf s THR 56 CO 0.07 0.49 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.54 1xdf s LEU 57 N 0.14 2.28 -0.18 4.42 1.02 -0.18 -1.24 118.68 124.94 1xdf s LEU 57 Ca 0.04 -0.65 -0.00 0.00 0.02 0.00 0.00 54.13 53.54 1xdf s LEU 57 Cb -0.12 -0.77 0.04 0.00 0.02 0.00 0.00 46.19 45.36 1xdf s LEU 57 CO 0.01 0.02 -0.06 -0.63 0.02 0.00 0.00 176.35 175.71 1xdf s ILE 58 N -1.16 1.21 0.00 -0.59 -1.09 -0.66 -1.82 121.20 117.09 1xdf s ILE 58 Ca 0.04 -0.74 0.00 0.00 -2.23 0.00 0.00 60.65 57.72 1xdf s ILE 58 Cb -0.10 -1.39 0.00 0.00 -1.58 0.00 0.00 42.46 39.39 1xdf s ILE 58 CO 0.03 0.11 0.00 -1.84 -1.23 0.00 0.00 174.94 172.01 1xdf n GLU 59 N 4.83 0.00 -0.32 2.79 0.28 -1.23 -4.59 120.64 122.40 1xdf n GLU 59 Ca -0.12 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.82 1xdf n GLU 59 Cb 0.47 0.00 0.05 0.00 1.43 0.00 0.00 31.44 33.39 1xdf n GLU 59 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xdf n GLY 60 N 2.61 2.62 0.70 -1.84 0.00 -1.26 -4.72 105.19 103.31 1xdf n GLY 60 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.07 1.35 3.77 -0.02 0.00 -1.26 -5.07 105.19 104.03 1xdf n GLY 61 Ca 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.86 1xdf n GLY 61 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xdf s GLU 62 N -2.05 0.84 -0.27 1.61 -1.05 -1.26 -5.14 118.70 111.37 1xdf s GLU 62 Ca 0.00 -0.50 -0.11 0.00 -0.15 0.00 0.00 54.97 54.21 1xdf s GLU 62 Cb 0.00 0.26 -0.05 0.00 -0.44 0.00 0.00 34.13 33.90 1xdf s GLU 62 CO 0.00 -0.39 0.18 0.99 0.95 0.00 0.00 175.26 176.99 1xdf s THR 63 N -2.54 5.30 0.30 1.83 2.01 -1.26 -3.52 115.64 117.76 1xdf s THR 63 Ca 0.18 0.16 0.10 0.00 0.31 0.00 0.00 61.69 62.44 1xdf s THR 63 Cb 0.01 -3.51 -0.06 0.00 0.01 0.00 0.00 72.50 68.95 1xdf s THR 63 CO 0.01 0.27 -0.13 -0.54 -0.69 0.00 0.00 174.62 173.53 1xdf s LYS 64 N 1.61 1.69 0.19 4.92 1.02 -0.76 -5.00 119.74 123.42 1xdf s LYS 64 Ca 0.07 -1.82 0.09 0.00 0.02 0.00 0.00 55.97 54.33 1xdf s LYS 64 Cb -0.15 -1.61 -0.04 0.00 -0.52 0.00 0.00 37.83 35.51 1xdf s LYS 64 CO 0.10 0.20 -0.19 0.71 -0.92 0.00 0.00 175.35 175.25 1xdf s TYR 65 N -2.66 1.93 -0.01 3.18 1.51 -1.26 -1.01 117.35 119.03 1xdf s TYR 65 Ca 0.30 -0.45 0.02 0.00 -1.01 0.00 0.00 57.07 55.93 1xdf s TYR 65 Cb -0.00 -0.93 -0.00 0.00 -0.11 0.00 0.00 41.96 40.91 1xdf s TYR 65 CO 0.14 0.41 -0.08 0.08 -1.11 0.00 0.00 175.55 175.00 1xdf s VAL 66 N -2.21 0.64 -0.21 0.71 1.01 -1.03 -2.41 120.40 116.89 1xdf s VAL 66 Ca 0.19 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 1xdf s VAL 66 Cb -0.05 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 1xdf s VAL 66 CO 0.08 0.19 -0.05 -0.76 0.00 0.00 0.00 175.10 174.57 1xdf s LEU 67 N -0.01 2.90 -0.12 3.92 1.43 -1.12 -0.84 118.68 124.84 1xdf s LEU 67 Ca 0.00 -0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1xdf s LEU 67 Cb -0.05 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1xdf s LEU 67 CO -0.00 0.00 -0.02 -2.28 0.23 0.00 0.00 176.35 174.28 1xdf s HIS 68 N 1.33 3.08 -0.08 0.29 5.65 0.50 -1.48 115.29 124.58 1xdf s HIS 68 Ca 0.04 -0.03 0.05 0.00 0.25 0.00 0.00 55.06 55.36 1xdf s HIS 68 Cb -0.14 -1.87 -0.01 0.00 -1.18 0.00 0.00 32.58 29.38 1xdf s HIS 68 CO -0.02 0.22 -0.24 0.21 -0.65 0.00 0.00 174.74 174.27 1xdf s LYS 69 N -0.28 2.83 -0.16 2.88 2.20 -0.10 -0.20 119.74 126.92 1xdf s LYS 69 Ca 0.05 -0.88 -0.29 0.00 -0.36 0.00 0.00 55.97 54.49 1xdf s LYS 69 Cb -0.12 -2.26 -0.01 0.00 -1.51 0.00 0.00 37.83 33.93 1xdf s LYS 69 CO 0.02 0.28 1.17 0.42 -0.36 0.00 0.00 175.35 176.88 1xdf s ILE 70 N 0.09 4.44 -0.22 5.43 1.01 -0.50 -0.74 121.20 130.71 1xdf s ILE 70 Ca -0.11 1.74 -0.04 0.00 0.00 0.00 0.00 60.65 62.23 1xdf s ILE 70 Cb -0.16 -4.12 -0.19 0.00 0.01 0.00 0.00 42.46 38.00 1xdf s ILE 70 CO 0.06 -0.11 -0.03 -0.62 0.00 0.00 0.00 174.94 174.24 1xdf n GLU 71 N 6.12 0.67 -3.70 2.79 -0.58 0.22 -0.54 120.64 125.63 1xdf n GLU 71 Ca 0.12 0.23 -0.14 0.00 -0.42 0.00 0.00 57.16 56.95 1xdf n GLU 71 Cb 0.46 -1.59 -0.09 0.00 -0.57 0.00 0.00 31.44 29.65 1xdf n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xdf s ALA 72 N -2.52 -1.17 -0.04 0.62 0.00 -0.66 -4.69 121.76 113.30 1xdf s ALA 72 Ca -0.31 1.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.72 1xdf s ALA 72 Cb 0.09 -0.46 0.03 0.00 0.00 0.00 0.00 23.12 22.78 1xdf s ALA 72 CO 0.64 -0.25 0.04 0.08 0.00 0.00 0.00 175.76 176.26 1xdf s VAL 73 N -0.35 0.02 -0.33 0.00 1.01 -1.26 -0.89 120.40 118.61 1xdf s VAL 73 Ca -0.05 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1xdf s VAL 73 Cb -0.03 -0.24 0.14 0.00 0.00 0.00 0.00 36.38 36.25 1xdf s VAL 73 CO 0.03 0.19 0.27 -0.62 0.00 0.00 0.00 175.10 174.97 1xdf s ASP 74 N 1.95 2.11 0.25 3.32 -1.08 -0.47 -5.01 116.67 117.74 1xdf s ASP 74 Ca 0.03 -1.40 0.01 0.00 -0.52 0.00 0.00 52.55 50.67 1xdf s ASP 74 Cb -0.12 0.19 0.32 0.00 -1.46 0.00 0.00 42.92 41.85 1xdf s ASP 74 CO -0.03 -0.34 1.66 -0.08 0.52 0.00 0.00 175.17 176.90 1xdf h GLU 75 N 7.67 0.51 -0.68 4.34 4.81 -1.96 -2.05 114.58 127.22 1xdf h GLU 75 Ca -0.05 -0.22 0.20 0.00 -0.13 0.00 0.00 59.36 59.15 1xdf h GLU 75 Cb 1.04 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 1xdf h GLU 75 CO 0.30 0.77 0.49 0.00 -0.73 0.00 0.00 179.01 179.84 1xdf h ALA 76 N 1.22 2.64 -0.38 2.92 0.00 -1.96 -1.20 119.26 122.50 1xdf h ALA 76 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xdf h ALA 76 Cb 0.77 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1xdf h ALA 76 CO 0.06 -0.83 0.00 0.09 0.00 0.00 0.00 179.25 178.57 1xdf n ASN 77 N -4.34 3.50 -4.10 0.00 3.02 -0.87 -4.98 115.26 107.51 1xdf n ASN 77 Ca 0.13 -2.34 -0.29 0.00 -0.03 0.00 0.00 54.58 52.05 1xdf n ASN 77 Cb 0.75 -0.38 -0.04 0.00 -0.61 0.00 0.00 39.78 39.49 1xdf n ASN 77 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1xdf n LEU 78 N 0.38 -1.80 -4.46 3.41 4.77 -0.45 -4.50 117.00 114.34 1xdf n LEU 78 Ca 0.17 -1.08 -0.33 0.00 -0.03 0.00 0.00 56.01 54.73 1xdf n LEU 78 Cb 0.63 -2.03 -0.13 0.00 -2.33 0.00 0.00 43.42 39.56 1xdf n LEU 78 CO 0.13 0.42 -0.38 -0.60 -1.33 0.00 0.00 177.39 175.62 1xdf s ARG 79 N -6.83 3.59 -0.13 3.23 3.52 -0.83 -1.45 118.95 120.04 1xdf s ARG 79 Ca 0.12 -0.57 -0.04 0.00 -0.13 0.00 0.00 55.73 55.11 1xdf s ARG 79 Cb -0.06 -2.83 0.06 0.00 -1.56 0.00 0.00 34.95 30.56 1xdf s ARG 79 CO 0.93 0.23 0.21 -0.47 -0.81 0.00 0.00 175.30 175.39 1xdf s TYR 80 N 0.36 -0.29 -0.07 5.12 5.04 -0.15 -1.37 117.35 125.99 1xdf s TYR 80 Ca -0.06 0.66 0.05 0.00 -2.44 0.00 0.00 57.07 55.28 1xdf s TYR 80 Cb -0.15 -0.20 -0.01 0.00 0.35 0.00 0.00 41.96 41.95 1xdf s TYR 80 CO 0.04 -0.38 -0.24 -0.80 -1.34 0.00 0.00 175.55 172.83 1xdf s ASN 81 N 2.35 3.17 0.15 4.32 0.02 -0.07 -1.47 114.94 123.42 1xdf s ASN 81 Ca 0.03 -0.50 -0.10 0.00 -1.02 0.00 0.00 52.86 51.28 1xdf s ASN 81 Cb -0.13 -0.99 -0.00 0.00 0.02 0.00 0.00 41.25 40.15 1xdf s ASN 81 CO -0.08 0.23 0.28 -0.72 0.02 0.00 0.00 177.10 176.83 1xdf s TYR 82 N -0.07 0.30 0.05 2.20 1.13 -0.29 -0.61 117.35 120.06 1xdf s TYR 82 Ca -0.06 -0.68 -0.00 0.00 -1.41 0.00 0.00 57.07 54.92 1xdf s TYR 82 Cb -0.14 -0.02 -0.04 0.00 -1.10 0.00 0.00 41.96 40.65 1xdf s TYR 82 CO 0.05 -0.69 -0.03 -1.54 -2.51 0.00 0.00 175.55 170.82 1xdf s SER 83 N -2.94 0.51 -0.20 -0.18 1.04 0.08 -0.26 113.70 111.74 1xdf s SER 83 Ca 0.14 -0.88 -0.07 0.00 0.48 0.00 0.00 55.95 55.62 1xdf s SER 83 Cb 0.03 0.16 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 1xdf s SER 83 CO -0.03 -0.51 0.05 -0.63 0.98 0.00 0.00 173.24 173.10 1xdf s ILE 84 N -3.30 4.49 0.22 -1.02 1.01 0.78 -0.92 121.20 122.46 1xdf s ILE 84 Ca 0.02 -0.13 0.07 0.00 0.00 0.00 0.00 60.65 60.61 1xdf s ILE 84 Cb 0.03 -3.05 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 1xdf s ILE 84 CO -0.07 0.42 -0.12 0.68 0.00 0.00 0.00 174.94 175.84 1xdf s VAL 85 N 0.85 1.69 -1.36 2.92 -7.23 -0.55 -1.41 120.40 115.31 1xdf s VAL 85 Ca 0.03 -2.19 0.00 0.00 -1.81 0.00 0.00 61.98 58.01 1xdf s VAL 85 Cb -0.14 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.67 1xdf s VAL 85 CO 0.02 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 174.89 1xdf n GLY 86 N -0.42 1.31 3.06 2.32 0.00 -1.10 -1.44 105.19 108.92 1xdf n GLY 86 Ca -0.07 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.38 0.23 3.59 -0.02 0.00 0.12 -4.94 105.19 102.79 1xdf n GLY 87 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1xdf n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xdf s VAL 88 N -1.58 4.36 0.00 1.61 1.01 -0.52 -2.06 120.40 123.21 1xdf s VAL 88 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.11 1xdf s VAL 88 Cb 0.00 -4.50 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1xdf s VAL 88 CO 0.00 -0.85 0.00 0.61 0.00 0.00 0.00 175.10 174.86 1xdf n GLY 89 N 4.72 0.78 3.96 4.51 0.00 -1.01 -2.78 105.19 115.36 1xdf n GLY 89 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 3.97 0.71 0.99 1.43 -0.88 -4.97 118.68 119.93 1xdf s LEU 90 Ca 0.00 -0.19 -0.16 0.00 -1.03 0.00 0.00 54.13 52.75 1xdf s LEU 90 Cb 0.00 -2.68 0.03 0.00 0.03 0.00 0.00 46.19 43.57 1xdf s LEU 90 CO 0.00 -0.35 1.23 -2.84 0.23 0.00 0.00 176.35 174.62 1xdf s PRO 91 N -4.10 2.25 0.01 1.29 0.02 -1.26 -4.85 135.00 128.36 1xdf s PRO 91 Ca 0.42 1.84 0.12 0.00 0.02 0.00 0.00 61.00 63.40 1xdf s PRO 91 Cb -0.09 -1.84 0.53 0.00 0.02 0.00 0.00 34.50 33.12 1xdf s PRO 91 CO 0.30 -1.77 1.40 -0.25 -0.33 0.00 0.00 177.00 176.35 1xdf n ASP 92 N -2.50 0.02 -0.39 2.53 8.00 -1.26 -1.96 116.55 120.99 1xdf n ASP 92 Ca 0.14 0.51 0.10 0.00 0.71 0.00 0.00 54.79 56.25 1xdf n ASP 92 Cb 0.50 -0.51 -0.02 0.00 -0.02 0.00 0.00 41.12 41.06 1xdf n ASP 92 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1xdf n THR 93 N -1.53 0.00 -4.94 -3.53 -2.24 -1.26 -4.83 114.28 95.95 1xdf n THR 93 Ca 0.03 -0.23 -0.32 0.00 -2.27 0.00 0.00 64.05 61.26 1xdf n THR 93 Cb 0.14 1.20 -0.16 0.00 -2.10 0.00 0.00 70.33 69.42 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 -2.49 2.41 -0.13 2.28 1.01 -0.83 -4.13 121.20 119.32 1xdf s ILE 94 Ca 0.16 -0.88 0.14 0.00 0.00 0.00 0.00 60.65 60.06 1xdf s ILE 94 Cb 0.17 -1.97 -0.24 0.00 0.01 0.00 0.00 42.46 40.43 1xdf s ILE 94 CO 0.60 0.54 0.33 -0.62 0.00 0.00 0.00 174.94 175.79 1xdf n GLU 95 N 3.66 0.67 -3.60 2.79 4.71 0.16 -4.41 120.64 124.60 1xdf n GLU 95 Ca -0.19 0.14 -0.13 0.00 -0.01 0.00 0.00 57.16 56.97 1xdf n GLU 95 Cb 0.53 -1.65 -0.07 0.00 -1.01 0.00 0.00 31.44 29.24 1xdf n GLU 95 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1xdf s LYS 96 N -2.54 0.78 -0.05 3.49 2.20 -1.20 0.15 119.74 122.58 1xdf s LYS 96 Ca -0.09 0.67 0.03 0.00 -0.36 0.00 0.00 55.97 56.21 1xdf s LYS 96 Cb 0.07 0.38 0.00 0.00 -1.51 0.00 0.00 37.83 36.77 1xdf s LYS 96 CO 0.81 -0.15 -0.13 -1.50 -0.36 0.00 0.00 175.35 174.03 1xdf s ILE 97 N -0.13 1.12 0.08 5.43 2.07 -0.50 -0.20 121.20 129.08 1xdf s ILE 97 Ca -0.02 -0.52 0.10 0.00 -1.41 0.00 0.00 60.65 58.80 1xdf s ILE 97 Cb -0.04 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.53 1xdf s ILE 97 CO 0.01 0.34 -0.25 -0.44 -1.91 0.00 0.00 174.94 172.69 1xdf s SER 98 N 0.30 3.32 -0.13 4.50 0.01 -0.02 -0.15 113.70 121.53 1xdf s SER 98 Ca -0.07 -0.64 -0.00 0.00 1.31 0.00 0.00 55.95 56.54 1xdf s SER 98 Cb -0.12 -0.30 0.03 0.00 0.21 0.00 0.00 66.02 65.84 1xdf s SER 98 CO 0.02 0.22 -0.07 -0.36 0.41 0.00 0.00 173.24 173.46 1xdf s PHE 99 N -0.94 1.61 -0.35 2.43 0.40 0.64 -1.11 117.98 120.66 1xdf s PHE 99 Ca 0.13 -0.90 -0.06 0.00 -0.60 0.00 0.00 56.93 55.50 1xdf s PHE 99 Cb -0.10 -1.29 0.05 0.00 0.51 0.00 0.00 43.02 42.19 1xdf s PHE 99 CO 0.04 -0.56 0.13 -1.21 0.70 0.00 0.00 175.22 174.32 1xdf s GLU 100 N 1.67 2.58 0.06 0.44 2.02 0.28 -1.14 118.70 124.61 1xdf s GLU 100 Ca 0.03 -1.25 0.08 0.00 0.02 0.00 0.00 54.97 53.85 1xdf s GLU 100 Cb -0.14 -3.50 -0.03 0.00 0.10 0.00 0.00 34.13 30.56 1xdf s GLU 100 CO -0.08 -0.72 -0.20 0.95 0.02 0.00 0.00 175.26 175.23 1xdf s THR 101 N 1.39 2.67 -0.06 3.63 -4.23 -0.54 -1.28 115.64 117.23 1xdf s THR 101 Ca -0.01 -1.33 -0.07 0.00 -1.18 0.00 0.00 61.69 59.10 1xdf s THR 101 Cb -0.20 -2.14 0.02 0.00 1.34 0.00 0.00 72.50 71.51 1xdf s THR 101 CO 0.02 0.27 0.19 -0.75 -0.54 0.00 0.00 174.62 173.81 1xdf s LYS 102 N -1.61 0.30 -0.11 3.99 2.20 -0.43 -0.97 119.74 123.11 1xdf s LYS 102 Ca 0.15 0.11 -0.03 0.00 -0.36 0.00 0.00 55.97 55.84 1xdf s LYS 102 Cb -0.10 0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 36.32 1xdf s LYS 102 CO 0.06 -0.05 0.00 -0.51 -0.36 0.00 0.00 175.35 174.49 1xdf s LEU 103 N -0.27 3.56 0.01 5.43 1.43 -0.53 -1.50 118.68 126.82 1xdf s LEU 103 Ca -0.04 0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.23 1xdf s LEU 103 Cb -0.03 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 1xdf s LEU 103 CO 0.01 0.32 -0.21 -0.69 0.23 0.00 0.00 176.35 176.01 1xdf s VAL 104 N -0.54 1.69 0.03 -1.59 1.01 -0.54 -4.70 120.40 115.77 1xdf s VAL 104 Ca 0.09 -1.05 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 1xdf s VAL 104 Cb -0.12 -1.44 -0.06 0.00 0.00 0.00 0.00 36.38 34.77 1xdf s VAL 104 CO 0.02 0.36 1.30 -0.70 0.00 0.00 0.00 175.10 176.08 1xdf s GLU 105 N -0.82 4.35 0.80 2.72 2.12 -1.26 -0.03 118.70 126.58 1xdf s GLU 105 Ca 0.08 1.87 -0.12 0.00 0.36 0.00 0.00 54.97 57.17 1xdf s GLU 105 Cb -0.08 -3.44 0.07 0.00 0.26 0.00 0.00 34.13 30.94 1xdf s GLU 105 CO 0.00 -0.43 1.10 0.20 -0.54 0.00 0.00 175.26 175.60 1xdf s GLY 106 N 1.41 1.62 0.46 -1.50 0.00 -0.16 -4.81 107.32 104.34 1xdf s GLY 106 Ca 0.61 -0.25 0.12 0.00 0.00 0.00 0.00 44.72 45.20 1xdf s GLY 106 CO 0.27 0.18 2.07 0.00 0.00 0.00 0.00 173.10 175.63 1xdf h ALA 107 N -1.10 1.81 -0.19 3.20 0.00 -1.96 -1.77 119.26 119.26 1xdf h ALA 107 Ca -0.47 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1xdf h ALA 107 Cb 1.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xdf h ALA 107 CO 0.60 0.15 0.00 0.27 0.00 0.00 0.00 179.25 180.27 1xdf n ASN 108 N -4.46 1.55 0.00 0.00 2.04 -1.26 -4.93 115.26 108.20 1xdf n ASN 108 Ca -0.01 -1.75 0.00 0.00 -0.44 0.00 0.00 54.58 52.38 1xdf n ASN 108 Cb 0.12 -0.12 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 1xdf n ASN 108 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1xdf n GLY 109 N 1.08 0.78 0.00 4.83 0.00 -0.67 -5.07 105.19 106.14 1xdf n GLY 109 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 -1.44 3.49 -0.02 0.00 -1.26 -4.24 105.19 99.72 1xdf n GLY 110 Ca 0.00 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.19 3.94 -0.21 1.61 0.01 -0.43 -0.98 113.70 116.45 1xdf s SER 111 Ca 0.00 -0.45 -0.04 0.00 1.31 0.00 0.00 55.95 56.77 1xdf s SER 111 Cb 0.00 -0.64 -0.01 0.00 0.21 0.00 0.00 66.02 65.58 1xdf s SER 111 CO 0.00 0.22 -0.04 -0.63 0.41 0.00 0.00 173.24 173.20 1xdf s ILE 112 N -1.04 3.49 -0.42 1.44 1.01 0.96 -1.91 121.20 124.74 1xdf s ILE 112 Ca 0.17 -0.46 -0.19 0.00 0.00 0.00 0.00 60.65 60.17 1xdf s ILE 112 Cb -0.11 -2.57 0.02 0.00 0.01 0.00 0.00 42.46 39.81 1xdf s ILE 112 CO 0.08 0.43 0.53 -0.83 0.00 0.00 0.00 174.94 175.15 1xdf s GLY 113 N 1.26 1.81 -0.33 6.18 0.00 0.11 -1.46 107.32 114.90 1xdf s GLY 113 Ca 0.03 -1.33 -0.09 0.00 0.00 0.00 0.00 44.72 43.33 1xdf s GLY 113 CO -0.01 1.32 0.16 0.54 0.00 0.00 0.00 173.10 175.10 1xdf s LYS 114 N 2.43 3.08 -0.10 2.90 1.02 -0.56 -0.33 119.74 128.19 1xdf s LYS 114 Ca 0.17 -0.89 0.04 0.00 0.02 0.00 0.00 55.97 55.31 1xdf s LYS 114 Cb -0.16 -3.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.57 1xdf s LYS 114 CO 0.16 -0.53 -0.22 0.08 -0.92 0.00 0.00 175.35 173.91 1xdf s VAL 115 N 1.56 1.93 -0.19 3.17 1.01 -0.75 -1.32 120.40 125.81 1xdf s VAL 115 Ca 0.03 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 1xdf s VAL 115 Cb -0.18 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1xdf s VAL 115 CO 0.06 0.53 0.05 -0.89 0.00 0.00 0.00 175.10 174.85 1xdf s THR 116 N 0.42 4.64 -0.10 3.92 2.01 -0.40 -0.02 115.64 126.11 1xdf s THR 116 Ca -0.17 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 61.74 1xdf s THR 116 Cb -0.17 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 69.22 1xdf s THR 116 CO 0.07 0.45 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.72 1xdf s ILE 117 N 0.51 3.35 -0.18 1.82 1.01 0.24 -0.55 121.20 127.39 1xdf s ILE 117 Ca 0.02 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.08 1xdf s ILE 117 Cb -0.13 -2.39 0.05 0.00 0.01 0.00 0.00 42.46 40.00 1xdf s ILE 117 CO 0.01 0.55 -0.03 -0.54 0.00 0.00 0.00 174.94 174.94 1xdf s LYS 118 N -0.18 1.23 -0.29 2.79 1.02 -0.26 -1.27 119.74 122.78 1xdf s LYS 118 Ca 0.01 -0.55 -0.11 0.00 0.02 0.00 0.00 55.97 55.34 1xdf s LYS 118 Cb -0.13 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 1xdf s LYS 118 CO 0.03 -0.51 0.18 0.42 -0.92 0.00 0.00 175.35 174.54 1xdf s ILE 119 N 1.66 5.09 -0.22 2.17 1.01 0.83 -0.84 121.20 130.90 1xdf s ILE 119 Ca -0.01 0.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.53 1xdf s ILE 119 Cb -0.16 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 1xdf s ILE 119 CO -0.07 0.21 0.21 -0.70 0.00 0.00 0.00 174.94 174.59 1xdf s GLU 120 N 1.72 4.12 0.55 2.79 2.12 0.72 -0.65 118.70 130.06 1xdf s GLU 120 Ca 0.07 -0.15 0.05 0.00 0.36 0.00 0.00 54.97 55.30 1xdf s GLU 120 Cb -0.16 -3.52 0.04 0.00 0.26 0.00 0.00 34.13 30.75 1xdf s GLU 120 CO 0.09 0.08 0.41 0.95 -0.54 0.00 0.00 175.26 176.26 1xdf s THR 121 N 0.98 1.65 -0.04 -1.70 -4.23 -0.39 0.35 115.64 112.26 1xdf s THR 121 Ca 0.10 -1.48 -0.18 0.00 -1.18 0.00 0.00 61.69 58.95 1xdf s THR 121 Cb -0.13 -2.13 -0.12 0.00 1.34 0.00 0.00 72.50 71.46 1xdf s THR 121 CO 0.04 0.00 0.77 0.50 -0.54 0.00 0.00 174.62 175.39 1xdf h LYS 122 N 0.73 -0.43 0.00 3.99 3.11 -1.85 -3.22 116.57 118.90 1xdf h LYS 122 Ca -0.37 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.50 1xdf h LYS 122 Cb 1.30 0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.63 1xdf h LYS 122 CO 0.57 -0.16 0.00 0.41 -2.81 0.00 0.00 179.45 177.46 1xdf n GLY 123 N 0.37 2.04 0.13 5.01 0.00 -1.26 -4.16 105.19 107.32 1xdf n GLY 123 Ca -0.07 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 1xdf n GLY 123 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1xdf h ASP 124 N 0.00 0.47 0.00 1.61 2.03 -1.97 -2.67 116.42 115.88 1xdf h ASP 124 Ca 0.00 -0.77 0.00 0.00 -0.73 0.00 0.00 57.03 55.53 1xdf h ASP 124 Cb 0.00 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.36 1xdf h ASP 124 CO 0.00 1.18 0.00 0.00 -1.03 0.00 0.00 179.24 179.39 1xdf n ALA 125 N -2.58 0.00 -2.69 4.15 0.00 -1.26 -4.78 120.51 113.34 1xdf n ALA 125 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.27 1xdf n ALA 125 Cb 0.64 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.18 1xdf n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xdf n GLN 126 N 3.62 0.96 -2.49 0.00 -0.00 -1.26 -5.10 117.38 113.11 1xdf n GLN 126 Ca 0.00 -1.59 -0.43 0.00 -0.00 0.00 0.00 57.00 54.98 1xdf n GLN 126 Cb 0.00 -0.14 -0.02 0.00 -0.00 0.00 0.00 30.24 30.08 1xdf n GLN 126 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 1xdf s PRO 127 N 0.17 4.05 0.00 2.61 0.02 -1.26 -4.97 135.00 135.62 1xdf s PRO 127 Ca 0.18 1.32 0.00 0.00 0.02 0.00 0.00 61.00 62.52 1xdf s PRO 127 Cb 0.32 -3.80 0.00 0.00 0.02 0.00 0.00 34.50 31.04 1xdf s PRO 127 CO -0.07 -0.93 0.09 0.27 -0.33 0.00 0.00 177.00 176.02 1xdf n ASN 128 N 7.10 0.00 0.00 2.53 0.23 -1.26 -4.80 115.26 119.07 1xdf n ASN 128 Ca 0.14 0.09 0.00 0.00 -0.53 0.00 0.00 54.58 54.28 1xdf n ASN 128 Cb 0.46 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 1xdf n ASN 128 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1xdf n GLU 129 N -0.10 0.00 -0.24 -3.83 2.13 -1.26 -4.77 120.64 112.58 1xdf n GLU 129 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1xdf n GLU 129 Cb 0.00 0.00 0.12 0.00 0.27 0.00 0.00 31.44 31.83 1xdf n GLU 129 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1xdf h GLU 130 N 0.00 0.62 -0.32 5.31 5.08 -1.98 -0.60 114.58 122.70 1xdf h GLU 130 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1xdf h GLU 130 Cb 0.00 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1xdf h GLU 130 CO 0.00 0.41 0.17 0.93 -1.00 0.00 0.00 179.01 179.52 1xdf h GLU 131 N 0.64 0.45 -0.92 2.33 5.08 -1.92 0.44 114.58 120.68 1xdf h GLU 131 Ca 0.33 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.68 1xdf h GLU 131 Cb 0.29 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 1xdf h GLU 131 CO -0.23 0.40 0.59 0.78 -1.00 0.00 0.00 179.01 179.55 1xdf h GLY 132 N 0.39 1.38 1.31 -3.84 0.00 -1.83 -0.91 103.07 99.57 1xdf h GLY 132 Ca 0.11 -0.44 -0.23 0.00 0.00 0.00 0.00 47.33 46.78 1xdf h GLY 132 CO -0.02 0.33 -0.86 0.50 0.00 0.00 0.00 176.54 176.50 1xdf h LYS 133 N 1.10 0.65 -0.51 4.80 6.56 -0.56 -2.40 116.57 126.22 1xdf h LYS 133 Ca 0.39 -0.59 0.05 0.00 -1.06 0.00 0.00 60.65 59.44 1xdf h LYS 133 Cb 0.10 0.14 -0.05 0.00 -0.57 0.00 0.00 32.23 31.86 1xdf h LYS 133 CO -0.15 1.20 0.23 0.00 -2.06 0.00 0.00 179.45 178.67 1xdf h ALA 134 N 0.61 0.65 -0.44 3.86 0.00 0.19 -0.19 119.26 123.94 1xdf h ALA 134 Ca -0.07 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1xdf h ALA 134 Cb 1.48 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1xdf h ALA 134 CO 0.17 -0.13 -0.16 0.00 0.00 0.00 0.00 179.25 179.12 1xdf h ALA 135 N 1.30 0.88 -0.34 0.00 0.00 -1.08 -2.17 119.26 117.84 1xdf h ALA 135 Ca 0.23 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 1xdf h ALA 135 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1xdf h ALA 135 CO -0.19 0.63 -0.40 -0.22 0.00 0.00 0.00 179.25 179.07 1xdf h LYS 136 N 0.75 0.85 -0.44 0.00 3.64 -1.16 -2.91 116.57 117.29 1xdf h LYS 136 Ca 0.11 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1xdf h LYS 136 Cb 0.68 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1xdf h LYS 136 CO 0.05 1.09 0.28 0.00 -2.27 0.00 0.00 179.45 178.60 1xdf h ALA 137 N 0.85 1.66 -0.23 5.00 0.00 -0.74 -0.94 119.26 124.85 1xdf h ALA 137 Ca 0.05 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1xdf h ALA 137 Cb 0.98 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1xdf h ALA 137 CO 0.09 0.31 -0.17 0.00 0.00 0.00 0.00 179.25 179.48 1xdf h ARG 138 N 0.61 0.40 0.00 0.00 2.47 -1.20 -2.82 114.38 113.83 1xdf h ARG 138 Ca 0.16 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1xdf h ARG 138 Cb -0.04 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.23 1xdf h ARG 138 CO -0.03 0.56 0.00 0.78 0.56 0.00 0.00 179.97 181.84 1xdf h GLY 139 N 0.92 0.00 2.00 0.04 0.00 -1.07 -3.22 103.07 101.74 1xdf h GLY 139 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1xdf h GLY 139 CO 0.03 0.00 -0.08 -0.55 0.00 0.00 0.00 176.54 175.94 1xdf h ASP 140 N 0.00 0.00 -0.95 0.19 3.32 -1.19 -2.95 116.42 114.83 1xdf h ASP 140 Ca 0.00 0.00 0.23 0.00 0.02 0.00 0.00 57.03 57.28 1xdf h ASP 140 Cb 0.79 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.27 1xdf h ASP 140 CO 0.00 0.08 0.63 0.00 -1.72 0.00 0.00 179.24 178.23 1xdf h ALA 141 N 1.92 2.26 -0.12 3.45 0.00 -1.67 0.44 119.26 125.53 1xdf h ALA 141 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xdf h ALA 141 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xdf h ALA 141 CO 0.01 -0.58 0.00 1.19 0.00 0.00 0.00 179.25 179.87 1xdf n PHE 142 N -4.52 0.12 0.00 0.00 3.01 -1.11 -4.12 117.46 110.84 1xdf n PHE 142 Ca 0.21 -0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.61 1xdf n PHE 142 Cb 0.77 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.24 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 1.11 0.00 -0.35 1.38 7.35 -1.14 -4.89 117.46 120.92 1xdf n PHE 143 Ca 0.16 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.83 1xdf n PHE 143 Cb 0.54 0.00 0.10 0.00 0.35 0.00 0.00 39.48 40.47 1xdf n PHE 143 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1xdf h LYS 144 N 0.00 1.21 -0.81 -4.13 1.57 -1.81 -2.21 116.57 110.39 1xdf h LYS 144 Ca 0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1xdf h LYS 144 Cb 0.00 -0.27 -0.04 0.00 0.08 0.00 0.00 32.23 32.00 1xdf h LYS 144 CO 0.00 0.80 0.45 0.00 -0.57 0.00 0.00 179.45 180.13 1xdf h ALA 145 N 1.35 1.27 -0.03 3.86 0.00 -1.12 -1.04 119.26 123.55 1xdf h ALA 145 Ca 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1xdf h ALA 145 Cb -0.12 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.34 1xdf h ALA 145 CO -0.08 0.60 -0.00 0.82 0.00 0.00 0.00 179.25 180.58 1xdf h ILE 146 N 1.12 1.27 -0.74 0.00 2.04 -1.58 -0.71 117.51 118.91 1xdf h ILE 146 Ca 0.29 -0.82 0.09 0.00 1.00 0.00 0.00 64.86 65.41 1xdf h ILE 146 Cb 0.01 1.77 -0.07 0.00 -0.74 0.00 0.00 36.82 37.79 1xdf h ILE 146 CO -0.05 0.22 0.39 -0.08 0.00 0.00 0.00 178.15 178.63 1xdf h GLU 147 N -0.28 0.65 -0.24 2.37 4.22 -1.28 0.21 114.58 120.23 1xdf h GLU 147 Ca 0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.40 1xdf h GLU 147 Cb 0.36 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1xdf h GLU 147 CO 0.00 0.43 0.11 -0.91 -2.18 0.00 0.00 179.01 176.46 1xdf h ASN 148 N 0.66 0.32 -0.22 1.04 2.35 -1.10 -1.30 115.58 117.34 1xdf h ASN 148 Ca 0.36 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.99 1xdf h ASN 148 Cb 0.35 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1xdf h ASN 148 CO -0.25 0.36 0.12 0.22 -1.65 0.00 0.00 177.43 176.22 1xdf h TYR 149 N 0.26 0.22 -0.47 1.19 3.20 -0.68 -2.75 116.97 117.94 1xdf h TYR 149 Ca 0.08 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.83 1xdf h TYR 149 Cb 0.12 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1xdf h TYR 149 CO -0.02 0.13 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.36 1xdf h LEU 150 N 0.25 0.99 -1.49 2.82 3.38 -0.95 -1.45 115.31 118.86 1xdf h LEU 150 Ca 0.09 -0.39 0.11 0.00 0.09 0.00 0.00 57.88 57.78 1xdf h LEU 150 Cb 0.00 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 1xdf h LEU 150 CO -0.05 1.16 0.49 0.28 0.09 0.00 0.00 178.44 180.41 1xdf h SER 151 N 0.81 0.50 0.20 -0.43 0.02 -1.22 -2.34 113.55 111.10 1xdf h SER 151 Ca 0.11 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1xdf h SER 151 Cb 0.78 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1xdf h SER 151 CO 0.06 0.29 -0.45 0.00 -1.14 0.00 0.00 176.83 175.59 1xdf n ALA 152 N -2.49 3.50 -2.14 3.77 0.00 -1.04 -4.74 120.51 117.37 1xdf n ALA 152 Ca 0.13 -0.47 -0.41 0.00 0.00 0.00 0.00 53.44 52.69 1xdf n ALA 152 Cb 0.41 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 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 -2.66 3.81 0.52 0.00 5.04 -0.57 -4.98 115.29 116.45 1xdf s HIS 153 Ca 0.18 1.79 0.20 0.00 -1.54 0.00 0.00 55.06 55.70 1xdf s HIS 153 Cb 0.18 -3.08 1.32 0.00 0.04 0.00 0.00 32.58 31.04 1xdf s HIS 153 CO 0.61 0.12 2.07 -1.35 -2.34 0.00 0.00 174.74 173.85 1xdf h PRO 154 N 5.25 0.02 -0.77 2.88 0.11 -1.91 -2.47 132.00 135.12 1xdf h PRO 154 Ca -0.43 -0.00 0.17 0.00 0.11 0.00 0.00 66.00 65.85 1xdf h PRO 154 Cb 1.21 -0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.20 1xdf h PRO 154 CO 0.71 0.01 0.19 1.49 -0.21 0.00 0.00 178.00 180.20 1xdf h GLU 155 N 0.02 0.26 -0.06 1.05 4.81 -1.93 -3.14 114.58 115.59 1xdf h GLU 155 Ca 0.14 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1xdf h GLU 155 Cb 0.52 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1xdf h GLU 155 CO -0.00 0.17 0.00 0.66 -0.73 0.00 0.00 179.01 179.11 1xdf n TYR 156 N -5.17 0.05 1.70 0.92 4.02 -0.93 -5.19 117.16 112.56 1xdf n TYR 156 Ca 0.15 -0.02 0.15 0.00 -0.01 0.00 0.00 57.90 58.17 1xdf n TYR 156 Cb 0.50 0.00 0.69 0.00 -0.02 0.00 0.00 39.34 40.51 1xdf n TYR 156 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94