#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h2o s VAL 2 N 0.00 3.06 0.35 1.61 1.01 -1.26 -3.48 120.40 121.69 1h2o s VAL 2 Ca 0.00 -1.25 0.08 0.00 0.00 0.00 0.00 61.98 60.80 1h2o s VAL 2 Cb 0.00 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1h2o s VAL 2 CO 0.00 0.22 0.29 -0.36 0.00 0.00 0.00 175.10 175.25 1h2o s PHE 3 N -1.07 2.86 -0.30 5.22 0.40 -0.47 -4.87 117.98 119.75 1h2o s PHE 3 Ca 0.18 -0.34 -0.00 0.00 -0.60 0.00 0.00 56.93 56.17 1h2o s PHE 3 Cb -0.11 -1.84 0.14 0.00 0.51 0.00 0.00 43.02 41.72 1h2o s PHE 3 CO 0.09 0.15 0.30 0.99 0.70 0.00 0.00 175.22 177.45 1h2o s THR 4 N -2.34 -0.37 -0.05 0.64 2.01 -1.26 -2.17 115.64 112.10 1h2o s THR 4 Ca 0.42 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.83 1h2o s THR 4 Cb -0.05 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 1h2o s THR 4 CO 0.26 -0.51 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.29 1h2o s TYR 5 N 2.18 2.86 0.03 4.92 2.02 0.38 -4.95 117.35 124.79 1h2o s TYR 5 Ca 0.11 -0.04 0.01 0.00 -0.37 0.00 0.00 57.07 56.78 1h2o s TYR 5 Cb -0.14 -1.67 -0.02 0.00 -0.40 0.00 0.00 41.96 39.73 1h2o s TYR 5 CO -0.28 0.30 -0.05 -1.83 -1.57 0.00 0.00 175.55 172.13 1h2o s GLU 6 N -0.92 0.44 0.21 -0.62 -1.05 -1.26 0.54 118.70 116.03 1h2o s GLU 6 Ca 0.13 -0.77 0.10 0.00 -0.15 0.00 0.00 54.97 54.28 1h2o s GLU 6 Cb -0.11 -0.02 -0.05 0.00 -0.44 0.00 0.00 34.13 33.52 1h2o s GLU 6 CO 0.02 -0.03 -0.19 -1.54 0.95 0.00 0.00 175.26 174.48 1h2o s SER 7 N -1.75 3.01 -0.05 0.83 1.04 -0.32 -4.94 113.70 111.51 1h2o s SER 7 Ca -0.10 -0.93 -0.01 0.00 0.48 0.00 0.00 55.95 55.38 1h2o s SER 7 Cb -0.07 -0.20 0.03 0.00 0.10 0.00 0.00 66.02 65.87 1h2o s SER 7 CO -0.02 -0.02 0.02 -1.61 0.98 0.00 0.00 173.24 172.59 1h2o s GLU 8 N -3.11 0.35 0.10 4.02 2.02 -1.26 -0.96 118.70 119.86 1h2o s GLU 8 Ca 0.21 0.18 -0.01 0.00 0.02 0.00 0.00 54.97 55.38 1h2o s GLU 8 Cb -0.05 -0.74 0.00 0.00 0.10 0.00 0.00 34.13 33.44 1h2o s GLU 8 CO 0.09 -0.28 0.14 1.97 0.02 0.00 0.00 175.26 177.21 1h2o n PHE 9 N 5.00 -0.73 -4.21 1.61 -1.74 -0.35 -5.00 117.46 112.05 1h2o n PHE 9 Ca -0.09 -0.68 -0.17 0.00 -0.56 0.00 0.00 57.45 55.94 1h2o n PHE 9 Cb 0.50 0.16 -0.06 0.00 1.52 0.00 0.00 39.48 41.60 1h2o n PHE 9 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 1h2o n THR 10 N -0.17 0.00 -3.42 1.97 -2.24 -1.26 0.87 114.28 110.02 1h2o n THR 10 Ca 0.00 -2.12 -0.12 0.00 -2.27 0.00 0.00 64.05 59.54 1h2o n THR 10 Cb 0.17 1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 69.48 1h2o n THR 10 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1h2o s SER 11 N -3.12 -0.57 0.05 3.42 0.15 0.21 -4.85 113.70 108.99 1h2o s SER 11 Ca 0.35 -0.01 0.09 0.00 0.70 0.00 0.00 55.95 57.08 1h2o s SER 11 Cb 0.01 0.60 -0.22 0.00 -1.71 0.00 0.00 66.02 64.70 1h2o s SER 11 CO 0.25 -0.97 1.00 -0.33 1.20 0.00 0.00 173.24 174.38 1h2o h GLU 12 N 2.00 0.02 -7.09 5.44 5.08 -1.92 1.29 114.58 119.39 1h2o h GLU 12 Ca -0.34 -0.03 -0.50 0.00 -1.00 0.00 0.00 59.36 57.50 1h2o h GLU 12 Cb 1.31 0.01 0.07 0.00 0.50 0.00 0.00 28.75 30.64 1h2o h GLU 12 CO 0.38 0.80 0.42 0.42 -1.00 0.00 0.00 179.01 180.03 1h2o s ILE 13 N -2.66 3.27 0.43 3.13 -1.09 -1.26 -4.48 121.20 118.54 1h2o s ILE 13 Ca -0.02 0.78 -0.25 0.00 -2.23 0.00 0.00 60.65 58.93 1h2o s ILE 13 Cb 0.09 -3.31 -0.08 0.00 -1.58 0.00 0.00 42.46 37.58 1h2o s ILE 13 CO 0.82 -0.18 1.27 -2.16 -1.23 0.00 0.00 174.94 173.47 1h2o s PRO 14 N -3.32 3.83 0.25 2.79 0.04 -1.26 -4.08 135.00 133.26 1h2o s PRO 14 Ca 0.72 2.07 0.07 0.00 0.04 0.00 0.00 61.00 63.90 1h2o s PRO 14 Cb -0.22 -2.63 0.29 0.00 0.04 0.00 0.00 34.50 31.98 1h2o s PRO 14 CO 0.27 -0.58 1.58 -1.00 0.04 0.00 0.00 177.00 177.31 1h2o h PRO 15 N 2.41 0.12 0.00 0.56 0.13 -1.93 -2.77 132.00 130.51 1h2o h PRO 15 Ca -0.50 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 64.53 1h2o h PRO 15 Cb 1.25 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1h2o h PRO 15 CO 0.61 0.70 -0.07 -1.00 -0.23 0.00 0.00 178.00 178.02 1h2o h PRO 16 N 0.09 0.00 0.08 1.56 0.13 -1.95 0.48 132.00 132.38 1h2o h PRO 16 Ca -0.01 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.92 1h2o h PRO 16 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1h2o h PRO 16 CO 0.09 0.07 -1.00 0.00 -0.23 0.00 0.00 178.00 176.93 1h2o h ARG 17 N 0.00 0.17 0.00 0.86 3.08 -1.90 -2.81 114.38 113.78 1h2o h ARG 17 Ca -0.00 -0.28 -0.09 0.00 0.07 0.00 0.00 59.98 59.67 1h2o h ARG 17 Cb 0.52 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1h2o h ARG 17 CO 0.01 1.14 -0.45 1.25 -1.07 0.00 0.00 179.97 180.85 1h2o h LEU 18 N -0.57 0.00 0.65 3.04 6.46 -1.35 -2.52 115.31 121.02 1h2o h LEU 18 Ca -0.22 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.51 1h2o h LEU 18 Cb 1.52 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.45 1h2o h LEU 18 CO 0.02 0.45 -0.31 0.15 -0.62 0.00 0.00 178.44 178.13 1h2o h PHE 19 N 0.00 -0.81 -0.99 1.25 3.57 -0.13 0.70 116.94 120.53 1h2o h PHE 19 Ca -0.00 -0.02 0.24 0.00 3.53 0.00 0.00 57.97 61.72 1h2o h PHE 19 Cb 0.82 0.27 -0.08 0.00 2.79 0.00 0.00 35.95 39.75 1h2o h PHE 19 CO 0.00 -0.49 0.65 0.87 -2.23 0.00 0.00 178.31 177.11 1h2o h LYS 20 N -1.21 0.36 0.09 1.11 1.57 -1.49 0.26 116.57 117.27 1h2o h LYS 20 Ca -0.09 -0.02 -0.27 0.00 -1.87 0.00 0.00 60.65 58.40 1h2o h LYS 20 Cb 0.68 -0.08 0.03 0.00 0.08 0.00 0.00 32.23 32.94 1h2o h LYS 20 CO 0.15 0.24 -1.10 0.00 -0.57 0.00 0.00 179.45 178.17 1h2o h ALA 21 N 1.60 0.01 -0.25 3.86 0.00 -1.22 1.12 119.26 124.38 1h2o h ALA 21 Ca 0.54 -0.73 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1h2o h ALA 21 Cb 1.41 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1h2o h ALA 21 CO -0.22 0.61 -0.23 0.35 0.00 0.00 0.00 179.25 179.76 1h2o h PHE 22 N 0.18 0.71 0.00 0.00 3.57 0.26 0.12 116.94 121.79 1h2o h PHE 22 Ca -0.16 -0.21 -0.28 0.00 3.53 0.00 0.00 57.97 60.85 1h2o h PHE 22 Cb 1.79 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 40.33 1h2o h PHE 22 CO 0.13 0.91 -1.88 0.28 -2.23 0.00 0.00 178.31 175.52 1h2o n VAL 23 N -4.36 1.26 1.83 1.41 0.31 0.69 -3.53 118.33 115.94 1h2o n VAL 23 Ca -0.04 -0.18 0.14 0.00 -0.01 0.00 0.00 64.34 64.24 1h2o n VAL 23 Cb 0.43 -1.89 0.84 0.00 -0.91 0.00 0.00 33.84 32.30 1h2o n VAL 23 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1h2o n LEU 24 N -4.05 0.00 -2.58 7.52 4.32 0.11 -3.88 117.00 118.44 1h2o n LEU 24 Ca -0.35 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.62 1h2o n LEU 24 Cb 0.71 0.00 0.11 0.00 -1.62 0.00 0.00 43.42 42.62 1h2o n LEU 24 CO 0.06 0.00 0.54 0.47 -1.22 0.00 0.00 177.39 177.24 1h2o n ASP 25 N -0.98 -1.07 0.16 -1.43 8.00 0.37 -4.82 116.55 116.77 1h2o n ASP 25 Ca 0.21 -2.18 0.04 0.00 0.71 0.00 0.00 54.79 53.57 1h2o n ASP 25 Cb 0.10 0.52 0.15 0.00 -0.02 0.00 0.00 41.12 41.87 1h2o n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h2o h ALA 26 N 1.12 0.79 0.00 2.24 0.00 -0.80 -2.16 119.26 120.45 1h2o h ALA 26 Ca -0.42 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1h2o h ALA 26 Cb 1.31 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1h2o h ALA 26 CO -0.15 0.53 0.00 -0.44 0.00 0.00 0.00 179.25 179.18 1h2o h ASP 27 N 0.00 0.00 0.00 0.00 3.32 -1.88 -2.72 116.42 115.13 1h2o h ASP 27 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h2o h ASP 27 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1h2o h ASP 27 CO 0.05 0.00 -0.08 0.59 -1.72 0.00 0.00 179.24 178.09 1h2o n ASN 28 N -2.52 1.06 -0.14 6.45 3.02 -1.16 -4.57 115.26 117.41 1h2o n ASN 28 Ca 0.00 -1.82 -0.26 0.00 -0.03 0.00 0.00 54.58 52.47 1h2o n ASN 28 Cb 0.16 -0.10 -0.11 0.00 -0.61 0.00 0.00 39.78 39.13 1h2o n ASN 28 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1h2o n LEU 29 N -0.40 2.30 0.06 3.41 7.99 -0.82 -4.05 117.00 125.49 1h2o n LEU 29 Ca 0.02 0.18 -0.22 0.00 -0.01 0.00 0.00 56.01 55.98 1h2o n LEU 29 Cb 0.46 -0.85 -0.15 0.00 -0.11 0.00 0.00 43.42 42.77 1h2o n LEU 29 CO 0.00 0.70 -0.45 0.58 -1.51 0.00 0.00 177.39 176.71 1h2o h VAL 30 N -0.66 1.02 0.00 4.08 2.07 -1.83 -2.39 116.25 118.54 1h2o h VAL 30 Ca -0.66 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 64.37 1h2o h VAL 30 Cb 1.71 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 34.28 1h2o h VAL 30 CO -0.31 0.80 0.00 -0.81 0.02 0.00 0.00 177.57 177.26 1h2o n PRO 31 N -3.74 0.95 0.00 1.57 -0.04 -1.26 -2.35 135.00 130.13 1h2o n PRO 31 Ca -0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1h2o n PRO 31 Cb 1.01 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1h2o n PRO 31 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1h2o n LYS 32 N -0.50 1.46 0.07 0.54 3.00 -1.24 -4.67 118.16 116.82 1h2o n LYS 32 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.10 1h2o n LYS 32 Cb 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 35.03 34.05 1h2o n LYS 32 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1h2o h ILE 33 N 0.00 1.44 -2.24 3.15 2.04 -1.47 -3.44 117.51 117.00 1h2o h ILE 33 Ca 0.00 -2.58 -0.35 0.00 1.00 0.00 0.00 64.86 62.93 1h2o h ILE 33 Cb 0.66 3.16 -0.34 0.00 -0.74 0.00 0.00 36.82 39.55 1h2o h ILE 33 CO 0.00 0.74 -0.65 0.00 0.00 0.00 0.00 178.15 178.24 1h2o s ALA 34 N -2.47 -0.33 -1.97 1.87 0.00 -0.99 -4.98 121.76 112.88 1h2o s ALA 34 Ca -0.13 -0.39 0.18 0.00 0.00 0.00 0.00 51.96 51.63 1h2o s ALA 34 Cb 0.02 -1.74 1.08 0.00 0.00 0.00 0.00 23.12 22.48 1h2o s ALA 34 CO 0.86 -1.69 1.48 -0.35 0.00 0.00 0.00 175.76 176.07 1h2o n PRO 35 N 5.30 0.55 0.04 0.00 -0.04 -1.26 -2.41 135.00 137.19 1h2o n PRO 35 Ca -0.03 0.01 0.13 0.00 -0.04 0.00 0.00 63.50 63.57 1h2o n PRO 35 Cb 0.46 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.79 1h2o n PRO 35 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1h2o n GLN 36 N -1.01 0.14 -0.04 0.54 6.02 -1.26 -4.34 117.38 117.42 1h2o n GLN 36 Ca 0.13 0.08 -0.04 0.00 -0.01 0.00 0.00 57.00 57.16 1h2o n GLN 36 Cb 0.07 -1.62 -0.01 0.00 1.02 0.00 0.00 30.24 29.69 1h2o n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1h2o n ALA 37 N -1.65 0.43 -3.63 -1.58 0.00 -1.01 -4.57 120.51 108.49 1h2o n ALA 37 Ca 0.05 -0.53 -0.35 0.00 0.00 0.00 0.00 53.44 52.62 1h2o n ALA 37 Cb 0.39 0.01 -0.14 0.00 0.00 0.00 0.00 19.45 19.71 1h2o n ALA 37 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1h2o s ILE 38 N -1.94 3.08 0.26 0.00 1.09 -1.25 -4.15 121.20 118.30 1h2o s ILE 38 Ca -0.14 -0.76 0.08 0.00 -1.10 0.00 0.00 60.65 58.74 1h2o s ILE 38 Cb 0.02 -2.47 -0.03 0.00 -1.06 0.00 0.00 42.46 38.93 1h2o s ILE 38 CO 0.21 0.33 1.60 0.50 -0.10 0.00 0.00 174.94 177.48 1h2o h LYS 39 N 8.06 0.08 -1.65 2.79 3.64 0.33 -3.36 116.57 126.46 1h2o h LYS 39 Ca -0.38 -0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.04 1h2o h LYS 39 Cb 1.14 0.01 -0.22 0.00 -0.41 0.00 0.00 32.23 32.75 1h2o h LYS 39 CO 0.60 0.66 0.56 -1.58 -2.27 0.00 0.00 179.45 177.41 1h2o s HIS 40 N -3.68 -0.35 -0.09 1.91 5.04 -1.20 -4.95 115.29 111.97 1h2o s HIS 40 Ca -0.02 0.54 0.00 0.00 -1.54 0.00 0.00 55.06 54.04 1h2o s HIS 40 Cb 0.12 0.47 0.02 0.00 0.04 0.00 0.00 32.58 33.23 1h2o s HIS 40 CO 0.77 -0.36 -0.08 -1.12 -2.34 0.00 0.00 174.74 171.61 1h2o s SER 41 N -1.35 1.91 -0.16 9.88 0.01 -1.26 0.16 113.70 122.89 1h2o s SER 41 Ca -0.00 -0.27 -0.02 0.00 1.31 0.00 0.00 55.95 56.97 1h2o s SER 41 Cb -0.01 -0.77 0.05 0.00 0.21 0.00 0.00 66.02 65.50 1h2o s SER 41 CO -0.00 -0.08 0.02 -0.70 0.41 0.00 0.00 173.24 172.89 1h2o s GLU 42 N 1.37 0.72 0.42 12.44 2.12 -1.18 -4.89 118.70 129.70 1h2o s GLU 42 Ca -0.02 -0.29 -0.26 0.00 0.36 0.00 0.00 54.97 54.76 1h2o s GLU 42 Cb -0.14 -1.79 -0.09 0.00 0.26 0.00 0.00 34.13 32.37 1h2o s GLU 42 CO -0.04 -0.53 1.42 -0.89 -0.54 0.00 0.00 175.26 174.68 1h2o n ILE 43 N 5.06 2.51 -0.02 -3.70 5.41 -1.26 -2.04 119.36 125.32 1h2o n ILE 43 Ca -0.09 -0.50 -0.01 0.00 1.00 0.00 0.00 62.75 63.15 1h2o n ILE 43 Cb 0.48 -1.83 -0.03 0.00 -0.71 0.00 0.00 39.64 37.55 1h2o n ILE 43 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1h2o n LEU 44 N 0.09 0.00 -4.46 1.39 4.77 0.61 -4.85 117.00 114.55 1h2o n LEU 44 Ca 0.04 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.80 1h2o n LEU 44 Cb 0.40 0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 1h2o n LEU 44 CO 0.61 0.08 -0.39 0.26 -1.33 0.00 0.00 177.39 176.62 1h2o s TRP 45 N -2.13 2.08 0.00 -1.77 0.52 -0.93 -4.83 118.94 111.89 1h2o s TRP 45 Ca -0.02 -0.60 0.00 0.00 0.02 0.00 0.00 56.10 55.50 1h2o s TRP 45 Cb 0.01 -1.15 0.00 0.00 -1.15 0.00 0.00 33.47 31.19 1h2o s TRP 45 CO 0.16 0.41 0.00 0.41 0.02 0.00 0.00 176.95 177.95 1h2o n GLY 46 N -0.63 1.20 0.97 0.98 0.00 -1.26 -3.20 105.19 103.26 1h2o n GLY 46 Ca -0.05 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1h2o n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h2o n ASP 47 N -2.54 0.18 0.00 1.61 9.92 -1.26 -4.93 116.55 119.53 1h2o n ASP 47 Ca 0.00 -1.85 0.00 0.00 -0.53 0.00 0.00 54.79 52.41 1h2o n ASP 47 Cb 0.00 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.37 1h2o n ASP 47 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1h2o n GLY 48 N 0.19 1.87 0.00 0.44 0.00 -1.26 -5.10 105.19 101.33 1h2o n GLY 48 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1h2o n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2o n GLY 49 N -0.27 -1.28 3.71 -0.02 0.00 -1.26 -4.89 105.19 101.18 1h2o n GLY 49 Ca 0.00 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 1h2o n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h2o s PRO 50 N -2.28 4.40 0.00 1.61 0.04 -1.26 -2.71 135.00 134.80 1h2o s PRO 50 Ca 0.00 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1h2o s PRO 50 Cb 0.00 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1h2o s PRO 50 CO 0.00 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.14 1h2o n GLY 51 N 3.28 0.60 3.79 0.56 0.00 0.40 -4.96 105.19 108.85 1h2o n GLY 51 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1h2o n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h2o s THR 52 N -2.10 3.60 -0.11 2.61 2.01 -1.10 -4.53 115.64 116.02 1h2o s THR 52 Ca 0.00 0.63 -0.00 0.00 0.31 0.00 0.00 61.69 62.63 1h2o s THR 52 Cb 0.00 -3.20 0.02 0.00 0.01 0.00 0.00 72.50 69.34 1h2o s THR 52 CO 0.00 -0.57 -0.07 -0.63 -0.69 0.00 0.00 174.62 172.65 1h2o s ILE 53 N -2.69 1.01 -0.15 1.82 1.01 -1.19 0.85 121.20 121.85 1h2o s ILE 53 Ca 0.62 -0.28 -0.05 0.00 0.00 0.00 0.00 60.65 60.95 1h2o s ILE 53 Cb -0.17 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 1h2o s ILE 53 CO 0.47 0.36 0.01 -0.54 0.00 0.00 0.00 174.94 175.25 1h2o s LYS 54 N 1.71 3.63 -0.73 2.79 1.02 0.28 0.22 119.74 128.67 1h2o s LYS 54 Ca 0.05 -0.41 -0.13 0.00 0.02 0.00 0.00 55.97 55.49 1h2o s LYS 54 Cb -0.13 -3.01 0.19 0.00 -0.52 0.00 0.00 37.83 34.36 1h2o s LYS 54 CO -0.08 0.37 0.66 0.21 -0.92 0.00 0.00 175.35 175.59 1h2o s LYS 55 N 0.04 3.31 0.32 1.68 2.20 -0.86 0.15 119.74 126.58 1h2o s LYS 55 Ca 0.03 -2.28 -0.26 0.00 -0.36 0.00 0.00 55.97 53.10 1h2o s LYS 55 Cb -0.13 -4.30 -0.10 0.00 -1.51 0.00 0.00 37.83 31.79 1h2o s LYS 55 CO 0.02 -1.28 0.95 0.42 -0.36 0.00 0.00 175.35 175.09 1h2o s ILE 56 N 0.50 4.20 0.22 5.43 1.01 0.12 -3.12 121.20 129.56 1h2o s ILE 56 Ca 0.14 1.83 0.11 0.00 0.00 0.00 0.00 60.65 62.73 1h2o s ILE 56 Cb -0.16 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 1h2o s ILE 56 CO -0.05 0.15 -0.17 0.42 0.00 0.00 0.00 174.94 175.28 1h2o s THR 57 N -1.61 2.71 0.09 2.92 -4.23 0.12 0.14 115.64 115.78 1h2o s THR 57 Ca 0.50 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.09 1h2o s THR 57 Cb -0.19 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 1h2o s THR 57 CO 0.24 -0.20 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.60 1h2o s PHE 58 N -1.92 2.59 -0.35 3.99 0.08 0.74 0.26 117.98 123.36 1h2o s PHE 58 Ca 0.25 -0.23 0.00 0.00 0.12 0.00 0.00 56.93 57.07 1h2o s PHE 58 Cb -0.07 -1.41 0.33 0.00 -0.57 0.00 0.00 43.02 41.30 1h2o s PHE 58 CO 0.13 0.35 1.82 0.41 -0.10 0.00 0.00 175.22 177.83 1h2o n GLY 59 N 1.06 4.11 0.26 4.36 0.00 -1.26 -4.31 105.19 109.41 1h2o n GLY 59 Ca -0.15 -1.08 0.10 0.00 0.00 0.00 0.00 46.02 44.88 1h2o n GLY 59 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1h2o h GLU 60 N 1.17 0.00 0.00 1.61 5.08 -1.88 -3.49 114.58 117.08 1h2o h GLU 60 Ca 0.38 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.78 1h2o h GLU 60 Cb 1.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 1h2o h GLU 60 CO 0.85 0.06 -0.05 0.41 -1.00 0.00 0.00 179.01 179.27 1h2o n GLY 61 N -1.26 -2.23 5.05 -3.84 0.00 -1.26 -4.83 105.19 96.83 1h2o n GLY 61 Ca -0.03 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1h2o n GLY 61 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1h2o n SER 62 N -1.30 0.00 -4.71 1.61 7.64 -1.26 -4.49 113.62 111.11 1h2o n SER 62 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 1h2o n SER 62 Cb 0.07 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.18 1h2o n SER 62 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1h2o s GLN 63 N 0.00 4.15 0.15 1.43 0.74 -1.26 -5.04 119.66 119.83 1h2o s GLN 63 Ca 0.00 -0.24 -0.34 0.00 0.05 0.00 0.00 55.36 54.83 1h2o s GLN 63 Cb 0.00 -3.44 -0.16 0.00 1.10 0.00 0.00 33.01 30.52 1h2o s GLN 63 CO 0.00 0.25 1.32 0.98 -0.55 0.00 0.00 175.29 177.28 1h2o n TYR 64 N 3.69 1.61 -3.76 1.67 4.19 -1.26 -4.83 117.16 118.47 1h2o n TYR 64 Ca -0.16 0.58 -0.30 0.00 3.31 0.00 0.00 57.90 61.33 1h2o n TYR 64 Cb 0.52 -2.36 -0.15 0.00 0.49 0.00 0.00 39.34 37.85 1h2o n TYR 64 CO 0.00 0.00 0.00 0.20 0.91 0.00 0.00 176.86 177.97 1h2o s GLY 65 N 0.34 1.31 0.17 2.98 0.00 -1.26 -5.04 107.32 105.81 1h2o s GLY 65 Ca 0.78 -1.98 -0.00 0.00 0.00 0.00 0.00 44.72 43.51 1h2o s GLY 65 CO 0.48 1.52 0.08 -2.52 0.00 0.00 0.00 173.10 172.66 1h2o s TYR 66 N 1.25 1.06 0.28 1.90 -0.85 -1.26 0.26 117.35 119.99 1h2o s TYR 66 Ca 0.12 -1.25 0.03 0.00 -0.52 0.00 0.00 57.07 55.45 1h2o s TYR 66 Cb -0.19 -0.57 -0.04 0.00 0.38 0.00 0.00 41.96 41.54 1h2o s TYR 66 CO -0.17 -0.50 0.20 0.14 -1.52 0.00 0.00 175.55 173.69 1h2o s VAL 67 N -4.01 0.06 -0.11 -3.49 -7.23 0.37 -4.24 120.40 101.75 1h2o s VAL 67 Ca 0.30 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.47 1h2o s VAL 67 Cb 0.07 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.53 1h2o s VAL 67 CO 0.06 0.00 -0.09 -0.54 -0.31 0.00 0.00 175.10 174.22 1h2o s LYS 68 N -3.79 1.64 -0.18 4.82 1.02 -1.25 0.15 119.74 122.15 1h2o s LYS 68 Ca 0.39 -0.32 -0.04 0.00 0.02 0.00 0.00 55.97 56.02 1h2o s LYS 68 Cb 0.05 -1.60 -0.02 0.00 -0.52 0.00 0.00 37.83 35.74 1h2o s LYS 68 CO 0.20 -0.20 -0.03 -1.01 -0.92 0.00 0.00 175.35 173.40 1h2o s HIS 69 N 1.44 3.01 -0.26 3.18 3.76 0.38 -2.37 115.29 124.44 1h2o s HIS 69 Ca 0.00 -0.46 -0.13 0.00 -0.15 0.00 0.00 55.06 54.33 1h2o s HIS 69 Cb -0.13 -2.02 -0.04 0.00 1.11 0.00 0.00 32.58 31.49 1h2o s HIS 69 CO -0.06 -0.19 0.28 0.21 -0.85 0.00 0.00 174.74 174.13 1h2o s LYS 70 N 0.76 4.03 0.02 1.40 2.20 0.30 0.99 119.74 129.43 1h2o s LYS 70 Ca -0.01 -0.10 -0.30 0.00 -0.36 0.00 0.00 55.97 55.19 1h2o s LYS 70 Cb -0.14 -3.61 -0.07 0.00 -1.51 0.00 0.00 37.83 32.49 1h2o s LYS 70 CO 0.02 -0.14 1.70 0.42 -0.36 0.00 0.00 175.35 176.99 1h2o s ILE 71 N 1.65 3.25 -0.26 5.43 -1.09 0.25 0.88 121.20 131.31 1h2o s ILE 71 Ca 0.12 0.51 -0.12 0.00 -2.23 0.00 0.00 60.65 58.93 1h2o s ILE 71 Cb -0.15 -3.33 -0.15 0.00 -1.58 0.00 0.00 42.46 37.26 1h2o s ILE 71 CO 0.09 -0.02 -0.22 0.47 -1.23 0.00 0.00 174.94 174.02 1h2o n ASP 72 N 6.47 1.96 -3.52 3.58 8.00 0.11 0.15 116.55 133.30 1h2o n ASP 72 Ca 0.17 0.25 -0.09 0.00 0.71 0.00 0.00 54.79 55.83 1h2o n ASP 72 Cb 0.41 -0.76 -0.03 0.00 -0.02 0.00 0.00 41.12 40.73 1h2o n ASP 72 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1h2o s SER 73 N -7.21 -0.36 0.11 -2.24 0.01 -0.10 -4.65 113.70 99.27 1h2o s SER 73 Ca -0.36 0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.01 1h2o s SER 73 Cb 0.12 0.36 -0.04 0.00 0.21 0.00 0.00 66.02 66.67 1h2o s SER 73 CO 0.54 -0.55 -0.06 -0.63 0.41 0.00 0.00 173.24 172.95 1h2o s ILE 74 N -2.67 0.73 -0.49 1.44 1.01 -1.26 -0.99 121.20 118.98 1h2o s ILE 74 Ca 0.04 -1.95 0.03 0.00 0.00 0.00 0.00 60.65 58.77 1h2o s ILE 74 Cb -0.01 -1.75 0.16 0.00 0.01 0.00 0.00 42.46 40.87 1h2o s ILE 74 CO -0.06 -0.82 0.35 -1.81 0.00 0.00 0.00 174.94 172.60 1h2o s ASP 75 N -3.07 2.90 0.01 3.58 1.01 0.55 -4.91 116.67 116.74 1h2o s ASP 75 Ca 0.14 -3.09 0.19 0.00 0.71 0.00 0.00 52.55 50.49 1h2o s ASP 75 Cb 0.05 -0.86 0.81 0.00 1.01 0.00 0.00 42.92 43.92 1h2o s ASP 75 CO -0.03 -0.18 1.60 0.29 0.21 0.00 0.00 175.17 177.06 1h2o n LYS 76 N 2.88 0.00 -0.03 8.23 5.02 -1.26 0.14 118.16 133.14 1h2o n LYS 76 Ca 0.21 0.18 -0.20 0.00 -2.02 0.00 0.00 58.31 56.49 1h2o n LYS 76 Cb 0.41 -1.51 -0.13 0.00 -0.02 0.00 0.00 35.03 33.78 1h2o n LYS 76 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1h2o n GLU 77 N -1.52 0.72 -0.21 1.97 1.02 -1.26 -4.34 120.64 117.02 1h2o n GLU 77 Ca 0.05 0.23 0.06 0.00 -0.02 0.00 0.00 57.16 57.47 1h2o n GLU 77 Cb 0.22 -1.66 0.16 0.00 -0.02 0.00 0.00 31.44 30.15 1h2o n GLU 77 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1h2o n ASN 78 N -3.38 3.03 -3.48 1.62 0.23 -1.15 -5.01 115.26 107.12 1h2o n ASN 78 Ca -0.35 -2.23 -0.23 0.00 -0.53 0.00 0.00 54.58 51.24 1h2o n ASN 78 Cb 1.04 -0.28 0.05 0.00 -2.08 0.00 0.00 39.78 38.51 1h2o n ASN 78 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1h2o n TYR 79 N 0.18 -2.19 -4.29 -2.53 4.01 0.36 -4.09 117.16 108.60 1h2o n TYR 79 Ca 0.13 0.66 -0.18 0.00 -0.16 0.00 0.00 57.90 58.34 1h2o n TYR 79 Cb 0.51 -3.73 -0.11 0.00 -0.31 0.00 0.00 39.34 35.71 1h2o n TYR 79 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1h2o s SER 80 N -3.40 2.26 -0.03 7.72 0.01 -0.62 -0.14 113.70 119.51 1h2o s SER 80 Ca 0.43 -0.90 -0.02 0.00 1.31 0.00 0.00 55.95 56.77 1h2o s SER 80 Cb -0.11 -0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.03 1h2o s SER 80 CO 0.81 -0.15 0.08 -0.47 0.41 0.00 0.00 173.24 173.92 1h2o s TYR 81 N -2.49 -0.09 -0.04 2.43 5.04 0.37 -0.33 117.35 122.24 1h2o s TYR 81 Ca 0.15 0.24 -0.01 0.00 -2.44 0.00 0.00 57.07 55.01 1h2o s TYR 81 Cb -0.03 -0.02 0.03 0.00 0.35 0.00 0.00 41.96 42.29 1h2o s TYR 81 CO 0.04 -0.07 0.07 -1.12 -1.34 0.00 0.00 175.55 173.13 1h2o s SER 82 N 0.34 0.44 0.30 4.32 0.01 -0.16 0.15 113.70 119.09 1h2o s SER 82 Ca -0.02 0.11 0.03 0.00 1.31 0.00 0.00 55.95 57.38 1h2o s SER 82 Cb -0.04 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.14 1h2o s SER 82 CO -0.01 -0.18 0.28 -0.72 0.41 0.00 0.00 173.24 173.02 1h2o s TYR 83 N 1.54 1.45 -0.06 2.43 1.13 -0.19 0.05 117.35 123.70 1h2o s TYR 83 Ca -0.04 -1.50 0.03 0.00 -1.41 0.00 0.00 57.07 54.15 1h2o s TYR 83 Cb -0.12 -0.55 0.00 0.00 -1.10 0.00 0.00 41.96 40.19 1h2o s TYR 83 CO -0.04 -0.86 -0.15 0.99 -2.51 0.00 0.00 175.55 172.98 1h2o s THR 84 N -3.58 1.34 -0.26 -3.49 2.01 0.25 -0.64 115.64 111.28 1h2o s THR 84 Ca 0.38 -0.64 -0.13 0.00 0.31 0.00 0.00 61.69 61.62 1h2o s THR 84 Cb 0.03 -1.18 -0.05 0.00 0.01 0.00 0.00 72.50 71.31 1h2o s THR 84 CO 0.22 0.40 0.26 -0.22 -0.69 0.00 0.00 174.62 174.58 1h2o s LEU 85 N 0.31 4.06 -0.02 4.42 2.96 -0.33 0.11 118.68 130.20 1h2o s LEU 85 Ca -0.09 0.16 0.17 0.00 -0.22 0.00 0.00 54.13 54.15 1h2o s LEU 85 Cb -0.14 -2.25 -0.23 0.00 0.50 0.00 0.00 46.19 44.07 1h2o s LEU 85 CO 0.03 -0.06 0.48 2.30 -1.32 0.00 0.00 176.35 177.78 1h2o n ILE 86 N 4.80 0.00 -4.37 6.68 -5.35 -1.00 -1.61 119.36 118.51 1h2o n ILE 86 Ca -0.12 -0.29 -0.19 0.00 -0.27 0.00 0.00 62.75 61.88 1h2o n ILE 86 Cb 0.52 0.41 -0.10 0.00 -1.74 0.00 0.00 39.64 38.73 1h2o n ILE 86 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1h2o s GLU 87 N -2.96 1.42 0.00 6.28 2.12 -1.25 -4.93 118.70 119.38 1h2o s GLU 87 Ca -0.02 -1.72 0.00 0.00 0.36 0.00 0.00 54.97 53.59 1h2o s GLU 87 Cb 0.11 -0.82 0.00 0.00 0.26 0.00 0.00 34.13 33.69 1h2o s GLU 87 CO 0.69 -0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.77 1h2o n GLY 88 N -0.48 3.12 0.32 -1.50 0.00 -1.26 -3.93 105.19 101.46 1h2o n GLY 88 Ca -0.05 -0.12 0.18 0.00 0.00 0.00 0.00 46.02 46.03 1h2o n GLY 88 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1h2o h ASP 89 N 0.00 0.00 1.73 1.61 3.32 -1.97 0.26 116.42 121.37 1h2o h ASP 89 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h2o h ASP 89 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1h2o h ASP 89 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1h2o h ALA 90 N 1.65 1.00 0.00 3.45 0.00 -1.96 -3.17 119.26 120.23 1h2o h ALA 90 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1h2o h ALA 90 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1h2o h ALA 90 CO 0.00 0.00 -0.27 -0.07 0.00 0.00 0.00 179.25 178.91 1h2o h LEU 91 N 0.00 0.00 -0.14 0.00 3.38 -0.82 -3.48 115.31 114.25 1h2o h LEU 91 Ca 0.00 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.17 1h2o h LEU 91 Cb 0.86 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 1h2o h LEU 91 CO 0.00 0.27 -0.28 0.61 0.09 0.00 0.00 178.44 179.13 1h2o n GLY 92 N -0.48 -0.98 0.00 0.83 0.00 -1.20 -1.26 105.19 102.09 1h2o n GLY 92 Ca -0.02 -0.58 0.07 0.00 0.00 0.00 0.00 46.02 45.49 1h2o n GLY 92 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1h2o n ASP 93 N -4.39 0.00 -0.05 1.61 5.75 -1.26 -3.34 116.55 114.88 1h2o n ASP 93 Ca 0.00 -1.54 -0.15 0.00 -0.01 0.00 0.00 54.79 53.10 1h2o n ASP 93 Cb 0.59 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.54 1h2o n ASP 93 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1h2o n THR 94 N -0.72 1.61 -3.95 2.12 -2.24 -1.22 -4.76 114.28 105.12 1h2o n THR 94 Ca 0.10 -0.72 -0.21 0.00 -2.27 0.00 0.00 64.05 60.94 1h2o n THR 94 Cb 0.05 -1.22 -0.04 0.00 -2.10 0.00 0.00 70.33 67.02 1h2o n THR 94 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1h2o s LEU 95 N -6.36 3.81 0.00 3.22 1.43 -0.39 -1.96 118.68 118.44 1h2o s LEU 95 Ca -0.16 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1h2o s LEU 95 Cb 0.07 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.90 1h2o s LEU 95 CO 0.77 -0.17 0.00 -0.62 0.23 0.00 0.00 176.35 176.56 1h2o n GLU 96 N -1.31 0.00 -2.70 1.70 1.02 0.19 -4.68 120.64 114.87 1h2o n GLU 96 Ca -0.05 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.66 1h2o n GLU 96 Cb 0.58 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.98 1h2o n GLU 96 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1h2o s LYS 97 N 0.00 4.44 -0.03 3.49 1.02 -1.19 -4.70 119.74 122.77 1h2o s LYS 97 Ca 0.00 1.39 0.05 0.00 0.02 0.00 0.00 55.97 57.42 1h2o s LYS 97 Cb 0.00 -3.53 -0.03 0.00 -0.52 0.00 0.00 37.83 33.76 1h2o s LYS 97 CO 0.00 -0.27 -0.17 0.42 -0.92 0.00 0.00 175.35 174.41 1h2o s ILE 98 N 1.84 2.83 -0.12 2.17 -1.09 -0.64 -1.52 121.20 124.67 1h2o s ILE 98 Ca 0.49 -0.85 0.02 0.00 -2.23 0.00 0.00 60.65 58.08 1h2o s ILE 98 Cb -0.19 -2.10 -0.00 0.00 -1.58 0.00 0.00 42.46 38.60 1h2o s ILE 98 CO 0.19 0.56 -0.20 -0.44 -1.23 0.00 0.00 174.94 173.82 1h2o s SER 99 N -0.78 3.35 -0.05 3.58 0.01 -1.05 -1.19 113.70 117.57 1h2o s SER 99 Ca 0.12 -0.51 0.05 0.00 1.31 0.00 0.00 55.95 56.91 1h2o s SER 99 Cb -0.10 -1.48 -0.01 0.00 0.21 0.00 0.00 66.02 64.64 1h2o s SER 99 CO 0.01 0.13 -0.20 -0.31 0.41 0.00 0.00 173.24 173.28 1h2o s TYR 100 N 0.52 2.01 -0.01 2.43 2.02 0.19 0.40 117.35 124.91 1h2o s TYR 100 Ca -0.13 -0.59 0.00 0.00 -0.37 0.00 0.00 57.07 55.99 1h2o s TYR 100 Cb -0.17 -1.34 0.01 0.00 -0.40 0.00 0.00 41.96 40.07 1h2o s TYR 100 CO 0.05 -0.19 -0.00 -2.00 -1.57 0.00 0.00 175.55 171.84 1h2o s GLU 101 N -0.05 0.09 -0.01 -0.62 2.12 0.40 -1.02 118.70 119.61 1h2o s GLU 101 Ca -0.04 0.03 0.01 0.00 0.36 0.00 0.00 54.97 55.33 1h2o s GLU 101 Cb -0.12 -0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.09 1h2o s GLU 101 CO 0.03 -0.04 -0.03 0.99 -0.54 0.00 0.00 175.26 175.66 1h2o s THR 102 N 0.37 0.26 0.04 -1.70 2.01 0.39 0.11 115.64 117.12 1h2o s THR 102 Ca -0.03 -0.12 0.04 0.00 0.31 0.00 0.00 61.69 61.88 1h2o s THR 102 Cb -0.05 -0.24 -0.02 0.00 0.01 0.00 0.00 72.50 72.20 1h2o s THR 102 CO -0.01 0.08 -0.11 -0.75 -0.69 0.00 0.00 174.62 173.15 1h2o s LYS 103 N 0.03 0.70 0.17 4.92 2.20 0.11 0.14 119.74 128.01 1h2o s LYS 103 Ca 0.00 -0.70 0.10 0.00 -0.36 0.00 0.00 55.97 55.01 1h2o s LYS 103 Cb -0.03 -0.62 -0.04 0.00 -1.51 0.00 0.00 37.83 35.63 1h2o s LYS 103 CO -0.00 0.14 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.40 1h2o s LEU 104 N -1.23 2.41 0.00 5.43 1.43 0.80 0.27 118.68 127.80 1h2o s LEU 104 Ca -0.03 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1h2o s LEU 104 Cb -0.08 -1.05 0.00 0.00 0.03 0.00 0.00 46.19 45.08 1h2o s LEU 104 CO 0.01 0.08 0.00 0.52 0.23 0.00 0.00 176.35 177.19 1h2o n VAL 105 N 0.39 0.00 -4.27 -1.59 0.31 0.25 -4.65 118.33 108.78 1h2o n VAL 105 Ca -0.14 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 63.96 1h2o n VAL 105 Cb 0.56 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.36 1h2o n VAL 105 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1h2o s ALA 106 N -1.53 1.71 0.41 3.52 0.00 -1.26 -1.35 121.76 123.26 1h2o s ALA 106 Ca 0.00 -1.22 0.08 0.00 0.00 0.00 0.00 51.96 50.82 1h2o s ALA 106 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 1h2o s ALA 106 CO 0.00 0.32 0.34 -1.54 0.00 0.00 0.00 175.76 174.88 1h2o s SER 107 N -1.92 4.95 0.07 0.00 1.04 -0.47 -4.55 113.70 112.82 1h2o s SER 107 Ca 0.05 -0.79 0.21 0.00 0.48 0.00 0.00 55.95 55.90 1h2o s SER 107 Cb -0.10 -0.58 0.85 0.00 0.10 0.00 0.00 66.02 66.29 1h2o s SER 107 CO 0.04 -0.61 1.65 -0.81 0.98 0.00 0.00 173.24 174.48 1h2o n PRO 108 N -1.48 0.06 -0.18 4.02 -0.04 -1.26 -2.44 135.00 133.68 1h2o n PRO 108 Ca 0.02 0.23 0.11 0.00 -0.04 0.00 0.00 63.50 63.82 1h2o n PRO 108 Cb 0.62 -1.61 0.26 0.00 -0.04 0.00 0.00 33.50 32.73 1h2o n PRO 108 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1h2o n SER 109 N -1.72 3.02 0.00 3.54 3.41 -1.26 -4.93 113.62 115.68 1h2o n SER 109 Ca 0.04 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 1h2o n SER 109 Cb 0.24 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1h2o n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h2o n GLY 110 N 1.42 2.92 0.91 5.00 0.00 -1.02 -5.03 105.19 109.38 1h2o n GLY 110 Ca 0.19 -0.65 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 1h2o n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2o n GLY 111 N 0.00 -2.97 3.03 -0.02 0.00 -1.26 -4.57 105.19 99.40 1h2o n GLY 111 Ca 0.00 -0.97 -0.20 0.00 0.00 0.00 0.00 46.02 44.85 1h2o n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h2o s SER 112 N -2.03 1.23 0.24 1.61 1.04 0.44 -1.36 113.70 114.87 1h2o s SER 112 Ca 0.15 -0.19 -0.11 0.00 0.48 0.00 0.00 55.95 56.29 1h2o s SER 112 Cb -0.03 -0.22 -0.07 0.00 0.10 0.00 0.00 66.02 65.80 1h2o s SER 112 CO 0.13 0.10 0.58 -0.63 0.98 0.00 0.00 173.24 174.40 1h2o s ILE 113 N -0.07 4.89 -0.07 -1.02 1.01 -0.46 0.64 121.20 126.12 1h2o s ILE 113 Ca 0.01 0.57 0.01 0.00 0.00 0.00 0.00 60.65 61.24 1h2o s ILE 113 Cb -0.06 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.81 1h2o s ILE 113 CO -0.00 -0.08 -0.08 -0.63 0.00 0.00 0.00 174.94 174.15 1h2o s ILE 114 N -1.83 0.86 -0.27 2.92 1.01 0.25 0.88 121.20 125.02 1h2o s ILE 114 Ca 0.48 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1h2o s ILE 114 Cb -0.11 -0.85 0.06 0.00 0.01 0.00 0.00 42.46 41.56 1h2o s ILE 114 CO 0.20 0.31 -0.07 -0.75 0.00 0.00 0.00 174.94 174.63 1h2o s LYS 115 N 1.09 2.33 0.28 2.79 2.20 0.14 -1.21 119.74 127.36 1h2o s LYS 115 Ca -0.07 -1.31 0.04 0.00 -0.36 0.00 0.00 55.97 54.27 1h2o s LYS 115 Cb -0.14 -2.99 -0.03 0.00 -1.51 0.00 0.00 37.83 33.16 1h2o s LYS 115 CO -0.01 -0.58 0.42 -1.12 -0.36 0.00 0.00 175.35 173.70 1h2o s SER 116 N 1.16 6.26 -0.29 1.43 0.01 -0.13 0.06 113.70 122.20 1h2o s SER 116 Ca -0.07 0.13 -0.13 0.00 1.31 0.00 0.00 55.95 57.19 1h2o s SER 116 Cb -0.20 -1.82 0.11 0.00 0.21 0.00 0.00 66.02 64.32 1h2o s SER 116 CO -0.04 -0.18 0.67 -0.89 0.41 0.00 0.00 173.24 173.21 1h2o s THR 117 N -2.09 -0.55 0.15 1.44 2.01 0.30 -1.17 115.64 115.73 1h2o s THR 117 Ca 0.37 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.43 1h2o s THR 117 Cb -0.09 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 1h2o s THR 117 CO 0.31 0.00 -0.13 -0.94 -0.69 0.00 0.00 174.62 173.17 1h2o s SER 118 N 2.34 2.13 0.13 3.53 1.04 0.19 0.15 113.70 123.20 1h2o s SER 118 Ca -0.08 -0.92 0.02 0.00 0.48 0.00 0.00 55.95 55.45 1h2o s SER 118 Cb -0.09 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 1h2o s SER 118 CO -0.19 -0.20 -0.05 -1.00 0.98 0.00 0.00 173.24 172.78 1h2o s HIS 119 N -2.67 1.08 0.01 5.02 3.76 0.16 -0.47 115.29 122.18 1h2o s HIS 119 Ca 0.15 -0.91 0.05 0.00 -0.15 0.00 0.00 55.06 54.19 1h2o s HIS 119 Cb -0.02 -0.60 -0.02 0.00 1.11 0.00 0.00 32.58 33.05 1h2o s HIS 119 CO 0.03 -0.12 -0.16 0.71 -0.85 0.00 0.00 174.74 174.36 1h2o s TYR 120 N -3.57 1.38 -0.39 1.40 2.02 -0.92 -2.53 117.35 114.74 1h2o s TYR 120 Ca 0.17 -0.29 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 1h2o s TYR 120 Cb 0.05 -0.86 0.11 0.00 -0.40 0.00 0.00 41.96 40.86 1h2o s TYR 120 CO -0.01 0.01 0.14 -1.01 -1.57 0.00 0.00 175.55 173.11 1h2o s HIS 121 N -0.53 2.84 0.39 2.71 3.76 -0.58 -1.36 115.29 122.52 1h2o s HIS 121 Ca 0.05 -2.64 -0.11 0.00 -0.15 0.00 0.00 55.06 52.20 1h2o s HIS 121 Cb -0.07 -2.43 -0.07 0.00 1.11 0.00 0.00 32.58 31.12 1h2o s HIS 121 CO 0.00 -0.86 0.77 0.95 -0.85 0.00 0.00 174.74 174.75 1h2o s THR 122 N 0.71 4.76 -0.26 1.30 -4.23 -1.23 -0.63 115.64 116.07 1h2o s THR 122 Ca 0.13 0.69 -0.10 0.00 -1.18 0.00 0.00 61.69 61.23 1h2o s THR 122 Cb -0.21 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 69.88 1h2o s THR 122 CO -0.09 -0.47 0.14 -0.75 -0.54 0.00 0.00 174.62 172.92 1h2o s LYS 123 N -3.70 3.89 0.00 3.99 2.20 -0.83 -4.88 119.74 120.41 1h2o s LYS 123 Ca 0.52 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 1h2o s LYS 123 Cb -0.10 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 1h2o s LYS 123 CO 0.29 -0.11 0.00 0.41 -0.36 0.00 0.00 175.35 175.58 1h2o n GLY 124 N 4.77 0.76 2.67 5.54 0.00 -1.26 -4.73 105.19 112.95 1h2o n GLY 124 Ca -0.15 -1.70 -0.27 0.00 0.00 0.00 0.00 46.02 43.90 1h2o n GLY 124 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1h2o n ASN 125 N 0.00 2.79 -4.18 1.61 5.15 -1.26 -5.06 115.26 114.31 1h2o n ASN 125 Ca 0.00 -3.18 -0.11 0.00 -0.60 0.00 0.00 54.58 50.69 1h2o n ASN 125 Cb 0.00 -0.71 -0.10 0.00 -0.53 0.00 0.00 39.78 38.44 1h2o n ASN 125 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1h2o s VAL 126 N -1.63 0.55 0.16 3.44 -7.23 -1.26 -5.17 120.40 109.27 1h2o s VAL 126 Ca 0.31 -1.94 0.06 0.00 -1.81 0.00 0.00 61.98 58.60 1h2o s VAL 126 Cb 0.03 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 1h2o s VAL 126 CO -0.12 -0.68 -0.12 -1.61 -0.31 0.00 0.00 175.10 172.26 1h2o s GLU 127 N -3.90 1.13 1.15 4.82 2.02 -1.26 -4.89 118.70 117.77 1h2o s GLU 127 Ca 0.17 -1.46 -0.16 0.00 0.02 0.00 0.00 54.97 53.55 1h2o s GLU 127 Cb 0.06 -0.80 0.26 0.00 0.10 0.00 0.00 34.13 33.76 1h2o s GLU 127 CO -0.01 0.12 1.06 0.42 0.02 0.00 0.00 175.26 176.87 1h2o s ILE 128 N -3.07 1.80 -0.09 -1.63 -1.09 -1.26 -5.03 121.20 110.82 1h2o s ILE 128 Ca 0.17 0.00 0.01 0.00 -2.23 0.00 0.00 60.65 58.60 1h2o s ILE 128 Cb 0.01 -2.35 -0.02 0.00 -1.58 0.00 0.00 42.46 38.52 1h2o s ILE 128 CO 0.03 0.00 -0.12 -0.54 -1.23 0.00 0.00 174.94 173.08 1h2o s LYS 129 N -4.99 3.00 0.31 2.79 1.02 -1.26 -5.00 119.74 115.62 1h2o s LYS 129 Ca 0.68 -0.65 0.07 0.00 0.02 0.00 0.00 55.97 56.09 1h2o s LYS 129 Cb -0.17 -2.56 0.88 0.00 -0.52 0.00 0.00 37.83 35.46 1h2o s LYS 129 CO 0.59 0.44 1.63 0.93 -0.92 0.00 0.00 175.35 178.02 1h2o h GLU 130 N 5.98 0.18 0.00 1.68 5.08 -1.99 2.10 114.58 127.61 1h2o h GLU 130 Ca -0.37 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1h2o h GLU 130 Cb 1.18 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1h2o h GLU 130 CO 0.54 0.12 -0.06 1.49 -1.00 0.00 0.00 179.01 180.10 1h2o h GLU 131 N 0.19 0.00 0.00 2.33 4.81 -1.98 -1.09 114.58 118.84 1h2o h GLU 131 Ca 0.64 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.87 1h2o h GLU 131 Cb 1.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.77 1h2o h GLU 131 CO -0.69 0.06 -0.00 1.25 -0.73 0.00 0.00 179.01 178.90 1h2o h HIS 132 N 0.00 -0.00 -0.95 0.92 2.76 0.30 -0.47 115.15 117.71 1h2o h HIS 132 Ca -0.00 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1h2o h HIS 132 Cb 0.19 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.11 1h2o h HIS 132 CO 0.00 0.90 0.57 0.28 -1.30 0.00 0.00 177.93 178.38 1h2o h VAL 133 N -1.00 1.26 0.01 5.26 2.07 -1.13 0.31 116.25 123.03 1h2o h VAL 133 Ca -0.00 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1h2o h VAL 133 Cb 0.91 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1h2o h VAL 133 CO 0.00 0.28 -0.00 0.50 0.02 0.00 0.00 177.57 178.36 1h2o h LYS 134 N 1.31 -0.01 0.00 1.57 3.64 -1.32 -2.88 116.57 118.88 1h2o h LYS 134 Ca 0.34 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 1h2o h LYS 134 Cb -0.05 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1h2o h LYS 134 CO -0.06 0.74 -0.07 0.00 -2.27 0.00 0.00 179.45 177.79 1h2o h ALA 135 N 0.16 1.70 0.00 5.00 0.00 -0.98 -1.06 119.26 124.08 1h2o h ALA 135 Ca -0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1h2o h ALA 135 Cb 0.76 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1h2o h ALA 135 CO 0.00 0.09 -0.60 0.78 0.00 0.00 0.00 179.25 179.52 1h2o h GLY 136 N 0.27 0.00 1.87 0.00 0.00 -0.40 -2.88 103.07 101.93 1h2o h GLY 136 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1h2o h GLY 136 CO 0.01 0.00 -0.46 0.50 0.00 0.00 0.00 176.54 176.59 1h2o h LYS 137 N 0.00 0.14 0.02 4.80 1.57 -0.96 -2.81 116.57 119.33 1h2o h LYS 137 Ca -0.01 -0.07 -0.21 0.00 -1.87 0.00 0.00 60.65 58.49 1h2o h LYS 137 Cb 1.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1h2o h LYS 137 CO 0.08 0.58 -0.94 0.93 -0.57 0.00 0.00 179.45 179.52 1h2o h GLU 138 N 0.12 0.17 -0.08 3.15 5.08 -1.40 -0.49 114.58 121.12 1h2o h GLU 138 Ca 0.01 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.06 1h2o h GLU 138 Cb 0.86 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1h2o h GLU 138 CO 0.07 0.99 -0.39 0.87 -1.00 0.00 0.00 179.01 179.54 1h2o h LYS 139 N 0.08 0.16 0.11 2.33 1.57 -1.34 0.38 116.57 119.86 1h2o h LYS 139 Ca -0.05 -0.07 -0.35 0.00 -1.87 0.00 0.00 60.65 58.31 1h2o h LYS 139 Cb 1.60 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.89 1h2o h LYS 139 CO 0.14 0.53 -1.90 0.00 -0.57 0.00 0.00 179.45 177.66 1h2o n ALA 140 N -2.47 0.87 -0.04 3.86 0.00 -1.08 -3.60 120.51 118.05 1h2o n ALA 140 Ca -0.01 -0.57 -0.13 0.00 0.00 0.00 0.00 53.44 52.72 1h2o n ALA 140 Cb 0.45 -0.66 -0.07 0.00 0.00 0.00 0.00 19.45 19.17 1h2o n ALA 140 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1h2o h SER 141 N -0.09 0.27 -0.42 0.00 0.02 -1.11 -2.62 113.55 109.60 1h2o h SER 141 Ca -0.42 -0.44 0.06 0.00 -0.84 0.00 0.00 61.79 60.15 1h2o h SER 141 Cb 1.93 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 64.34 1h2o h SER 141 CO 0.04 0.66 0.10 0.78 -1.14 0.00 0.00 176.83 177.27 1h2o h ASN 142 N -0.11 0.05 -0.82 3.07 2.35 -1.11 -1.32 115.58 117.69 1h2o h ASN 142 Ca 0.02 0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.89 1h2o h ASN 142 Cb 0.57 0.08 -0.06 0.00 0.05 0.00 0.00 38.32 38.96 1h2o h ASN 142 CO 0.02 0.06 0.51 -0.07 -1.65 0.00 0.00 177.43 176.30 1h2o h LEU 143 N 0.24 0.81 -1.37 1.61 3.38 -1.61 -0.89 115.31 117.48 1h2o h LEU 143 Ca 0.20 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.22 1h2o h LEU 143 Cb 0.23 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1h2o h LEU 143 CO -0.25 0.53 0.46 -0.26 0.09 0.00 0.00 178.44 179.01 1h2o h PHE 144 N 0.95 0.78 0.00 1.13 -1.00 -0.87 0.54 116.94 118.47 1h2o h PHE 144 Ca 0.35 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 61.12 1h2o h PHE 144 Cb 0.13 -0.26 -0.00 0.00 3.61 0.00 0.00 35.95 39.42 1h2o h PHE 144 CO -0.04 0.45 -0.13 -0.22 -1.61 0.00 0.00 178.31 176.77 1h2o h LYS 145 N 0.81 0.00 0.06 1.51 3.64 -0.49 0.34 116.57 122.43 1h2o h LYS 145 Ca 0.28 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.42 1h2o h LYS 145 Cb 0.10 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1h2o h LYS 145 CO -0.08 0.13 -1.08 -0.07 -2.27 0.00 0.00 179.45 176.08 1h2o h LEU 146 N 0.00 0.38 0.09 5.20 3.38 -0.71 -2.33 115.31 121.31 1h2o h LEU 146 Ca -0.00 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 1h2o h LEU 146 Cb 0.31 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1h2o h LEU 146 CO 0.02 1.22 -0.04 0.40 0.09 0.00 0.00 178.44 180.13 1h2o h ILE 147 N 0.11 1.14 -0.85 1.22 2.04 -0.66 -0.32 117.51 120.20 1h2o h ILE 147 Ca -0.09 -0.98 0.11 0.00 1.00 0.00 0.00 64.86 64.89 1h2o h ILE 147 Cb 1.77 1.76 -0.08 0.00 -0.74 0.00 0.00 36.82 39.53 1h2o h ILE 147 CO 0.17 0.24 0.48 -0.33 0.00 0.00 0.00 178.15 178.71 1h2o h GLU 148 N -0.58 0.76 -0.43 2.37 5.08 -1.05 -0.75 114.58 119.97 1h2o h GLU 148 Ca -0.01 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1h2o h GLU 148 Cb 0.48 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1h2o h GLU 148 CO 0.02 0.50 0.15 1.15 -1.00 0.00 0.00 179.01 179.83 1h2o h THR 149 N 0.78 1.21 -0.84 1.13 2.02 -1.31 0.07 112.91 115.98 1h2o h THR 149 Ca 0.42 -0.69 0.21 0.00 0.77 0.00 0.00 66.41 67.13 1h2o h THR 149 Cb 0.43 0.85 -0.13 0.00 -1.74 0.00 0.00 68.15 67.56 1h2o h THR 149 CO -0.27 0.25 0.21 0.22 0.37 0.00 0.00 175.52 176.30 1h2o h TYR 150 N 0.56 0.31 0.03 3.16 3.20 0.47 0.27 116.97 124.97 1h2o h TYR 150 Ca 0.14 0.05 -0.23 0.00 3.14 0.00 0.00 58.73 61.83 1h2o h TYR 150 Cb 0.24 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1h2o h TYR 150 CO 0.01 -0.18 -1.07 -0.07 -1.64 0.00 0.00 178.16 175.21 1h2o h LEU 151 N 0.22 0.12 -1.40 2.82 3.38 -1.12 0.37 115.31 119.69 1h2o h LEU 151 Ca 0.51 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1h2o h LEU 151 Cb 1.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1h2o h LEU 151 CO -0.63 1.10 0.00 0.11 0.09 0.00 0.00 178.44 179.11 1h2o h LYS 152 N 0.02 0.00 0.00 1.13 1.57 0.15 -3.01 116.57 116.42 1h2o h LYS 152 Ca -0.04 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1h2o h LYS 152 Cb 1.83 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.13 1h2o h LYS 152 CO 0.15 0.00 -1.20 0.41 -0.57 0.00 0.00 179.45 178.24 1h2o n GLY 153 N -0.56 -0.15 3.22 3.86 0.00 -0.12 -4.88 105.19 106.55 1h2o n GLY 153 Ca -0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1h2o n GLY 153 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1h2o s HIS 154 N -2.10 3.53 -2.00 1.61 3.76 0.13 -4.89 115.29 115.33 1h2o s HIS 154 Ca -0.01 -2.18 0.11 0.00 -0.15 0.00 0.00 55.06 52.82 1h2o s HIS 154 Cb 0.01 -3.52 0.65 0.00 1.11 0.00 0.00 32.58 30.83 1h2o s HIS 154 CO 0.13 -0.94 1.17 -0.35 -0.85 0.00 0.00 174.74 173.90 1h2o n PRO 155 N 4.10 0.67 0.00 8.40 -0.04 -1.26 -2.45 135.00 144.43 1h2o n PRO 155 Ca 0.05 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.53 1h2o n PRO 155 Cb 0.42 -1.25 -0.02 0.00 -0.04 0.00 0.00 33.50 32.61 1h2o n PRO 155 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1h2o n ASP 156 N -0.75 0.36 -4.43 3.54 8.00 -1.26 -4.74 116.55 117.28 1h2o n ASP 156 Ca 0.08 -0.68 -0.50 0.00 0.71 0.00 0.00 54.79 54.40 1h2o n ASP 156 Cb 0.04 0.85 -0.09 0.00 -0.02 0.00 0.00 41.12 41.90 1h2o n ASP 156 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h2o n ALA 157 N -0.90 0.80 -2.21 2.24 0.00 -1.03 -1.68 120.51 117.73 1h2o n ALA 157 Ca 0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.29 1h2o n ALA 157 Cb 0.07 -2.49 -0.01 0.00 0.00 0.00 0.00 19.45 17.02 1h2o n ALA 157 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1h2o n TYR 158 N 10.10 -1.51 -0.81 0.00 0.18 -1.26 -4.99 117.16 118.88 1h2o n TYR 158 Ca 0.46 0.05 0.00 0.00 1.88 0.00 0.00 57.90 60.29 1h2o n TYR 158 Cb 0.19 -0.84 0.00 0.00 -0.38 0.00 0.00 39.34 38.31 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07