#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 2.35 -0.07 1.61 1.01 -1.26 -3.34 120.40 120.71 1h2o s VAL 2 Ca 0.00 -1.47 -0.04 0.00 0.00 0.00 0.00 61.98 60.47 1h2o s VAL 2 Cb 0.00 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1h2o s VAL 2 CO 0.00 0.26 0.14 -0.36 0.00 0.00 0.00 175.10 175.14 1h2o s PHE 3 N -0.93 3.52 -0.09 5.22 0.40 -1.00 -4.88 117.98 120.21 1h2o s PHE 3 Ca 0.13 0.41 0.04 0.00 -0.60 0.00 0.00 56.93 56.91 1h2o s PHE 3 Cb -0.10 -1.87 -0.01 0.00 0.51 0.00 0.00 43.02 41.55 1h2o s PHE 3 CO 0.04 0.67 -0.21 0.99 0.70 0.00 0.00 175.22 177.41 1h2o s THR 4 N -1.13 2.32 -0.05 0.64 2.01 -1.26 -1.79 115.64 116.38 1h2o s THR 4 Ca 0.20 -0.94 -0.02 0.00 0.31 0.00 0.00 61.69 61.24 1h2o s THR 4 Cb -0.12 -1.90 0.03 0.00 0.01 0.00 0.00 72.50 70.53 1h2o s THR 4 CO 0.10 0.56 0.09 -0.31 -0.69 0.00 0.00 174.62 174.36 1h2o s TYR 5 N 0.16 -0.03 -0.02 4.92 2.02 -0.70 -5.03 117.35 118.66 1h2o s TYR 5 Ca -0.12 0.33 0.03 0.00 -0.37 0.00 0.00 57.07 56.94 1h2o s TYR 5 Cb -0.16 -0.30 0.00 0.00 -0.40 0.00 0.00 41.96 41.10 1h2o s TYR 5 CO 0.06 -0.17 -0.09 -1.21 -1.57 0.00 0.00 175.55 172.57 1h2o s GLU 6 N 1.71 0.94 0.27 -0.62 2.02 -1.26 -0.77 118.70 121.00 1h2o s GLU 6 Ca -0.02 -0.31 0.07 0.00 0.02 0.00 0.00 54.97 54.73 1h2o s GLU 6 Cb -0.12 -0.88 -0.06 0.00 0.10 0.00 0.00 34.13 33.17 1h2o s GLU 6 CO -0.04 0.13 -0.07 -1.12 0.02 0.00 0.00 175.26 174.17 1h2o s SER 7 N 0.14 2.78 -0.11 -0.19 0.01 0.58 -4.99 113.70 111.92 1h2o s SER 7 Ca -0.02 -1.17 -0.05 0.00 1.31 0.00 0.00 55.95 56.02 1h2o s SER 7 Cb -0.08 -0.17 0.05 0.00 0.21 0.00 0.00 66.02 66.03 1h2o s SER 7 CO 0.00 -0.31 0.24 -1.61 0.41 0.00 0.00 173.24 171.97 1h2o s GLU 8 N -3.71 0.18 0.19 12.44 2.02 -1.26 -1.18 118.70 127.38 1h2o s GLU 8 Ca 0.29 0.57 -0.00 0.00 0.02 0.00 0.00 54.97 55.85 1h2o s GLU 8 Cb 0.03 -0.11 0.00 0.00 0.10 0.00 0.00 34.13 34.15 1h2o s GLU 8 CO 0.11 -0.20 0.25 1.97 0.02 0.00 0.00 175.26 177.41 1h2o n PHE 9 N 4.55 -0.90 -4.17 1.61 -1.74 -0.46 -4.99 117.46 111.35 1h2o n PHE 9 Ca -0.20 -1.30 -0.12 0.00 -0.56 0.00 0.00 57.45 55.27 1h2o n PHE 9 Cb 0.52 0.28 -0.09 0.00 1.52 0.00 0.00 39.48 41.71 1h2o n PHE 9 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1h2o s THR 10 N -2.65 0.00 0.16 1.97 -4.23 -1.26 0.14 115.64 109.77 1h2o s THR 10 Ca 0.16 -1.90 -0.10 0.00 -1.18 0.00 0.00 61.69 58.67 1h2o s THR 10 Cb -0.00 -2.46 -0.00 0.00 1.34 0.00 0.00 72.50 71.38 1h2o s THR 10 CO 0.12 0.00 0.31 -0.55 -0.54 0.00 0.00 174.62 173.96 1h2o s SER 11 N -3.15 -0.00 0.25 3.99 0.15 0.14 -4.86 113.70 110.21 1h2o s SER 11 Ca 0.36 -0.76 0.20 0.00 0.70 0.00 0.00 55.95 56.45 1h2o s SER 11 Cb 0.05 0.45 0.07 0.00 -1.71 0.00 0.00 66.02 64.88 1h2o s SER 11 CO 0.13 -0.89 1.21 -0.33 1.20 0.00 0.00 173.24 174.55 1h2o h GLU 12 N 2.51 0.00 -7.01 5.44 5.08 -1.92 1.35 114.58 120.02 1h2o h GLU 12 Ca -0.32 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.59 1h2o h GLU 12 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1h2o h GLU 12 CO 0.48 0.14 0.30 0.42 -1.00 0.00 0.00 179.01 179.35 1h2o s ILE 13 N -3.17 4.44 0.49 3.13 -1.09 -1.26 -4.57 121.20 119.17 1h2o s ILE 13 Ca 0.02 1.39 -0.22 0.00 -2.23 0.00 0.00 60.65 59.60 1h2o s ILE 13 Cb 0.08 -3.61 -0.06 0.00 -1.58 0.00 0.00 42.46 37.29 1h2o s ILE 13 CO 0.76 -0.32 1.24 -2.16 -1.23 0.00 0.00 174.94 173.23 1h2o s PRO 14 N -3.19 3.52 0.26 2.79 0.04 -1.26 -3.84 135.00 133.31 1h2o s PRO 14 Ca 0.61 1.96 0.07 0.00 0.04 0.00 0.00 61.00 63.67 1h2o s PRO 14 Cb -0.09 -2.35 0.34 0.00 0.04 0.00 0.00 34.50 32.44 1h2o s PRO 14 CO 0.15 -0.80 1.61 -1.00 0.04 0.00 0.00 177.00 177.00 1h2o h PRO 15 N 1.82 0.17 0.00 0.56 0.13 -1.93 -2.70 132.00 130.05 1h2o h PRO 15 Ca -0.50 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 64.52 1h2o h PRO 15 Cb 1.27 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1h2o h PRO 15 CO 0.59 0.68 -0.02 -1.00 -0.23 0.00 0.00 178.00 178.02 1h2o h PRO 16 N 0.13 0.00 0.12 1.56 0.13 -1.95 1.21 132.00 133.19 1h2o h PRO 16 Ca -0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.86 1h2o h PRO 16 Cb 1.02 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 1h2o h PRO 16 CO 0.08 0.02 -1.39 0.00 -0.23 0.00 0.00 178.00 176.49 1h2o h ARG 17 N 0.00 0.24 -0.02 0.86 3.08 -1.87 -2.67 114.38 114.00 1h2o h ARG 17 Ca -0.00 -0.42 -0.20 0.00 0.07 0.00 0.00 59.98 59.43 1h2o h ARG 17 Cb 0.44 0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 1h2o h ARG 17 CO 0.00 1.20 -0.85 1.25 -1.07 0.00 0.00 179.97 180.50 1h2o h LEU 18 N -0.31 0.42 0.39 3.04 6.46 -1.25 -2.52 115.31 121.53 1h2o h LEU 18 Ca -0.30 -0.31 -0.02 0.00 -0.12 0.00 0.00 57.88 57.13 1h2o h LEU 18 Cb 1.75 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 41.56 1h2o h LEU 18 CO 0.06 1.09 -0.19 0.15 -0.62 0.00 0.00 178.44 178.94 1h2o h PHE 19 N 0.20 -0.49 -0.95 1.25 3.57 0.14 0.40 116.94 121.05 1h2o h PHE 19 Ca -0.05 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.58 1h2o h PHE 19 Cb 1.47 0.16 -0.08 0.00 2.79 0.00 0.00 35.95 40.29 1h2o h PHE 19 CO 0.04 -0.17 0.60 0.87 -2.23 0.00 0.00 178.31 177.42 1h2o h LYS 20 N -0.82 0.77 -0.09 1.11 1.57 -1.54 0.53 116.57 118.10 1h2o h LYS 20 Ca -0.05 -0.05 -0.24 0.00 -1.87 0.00 0.00 60.65 58.44 1h2o h LYS 20 Cb 0.54 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.69 1h2o h LYS 20 CO 0.09 0.51 -0.88 0.00 -0.57 0.00 0.00 179.45 178.59 1h2o h ALA 21 N 1.59 0.25 -0.04 3.86 0.00 -1.24 2.29 119.26 125.98 1h2o h ALA 21 Ca 0.49 -0.64 -0.24 0.00 0.00 0.00 0.00 54.91 54.52 1h2o h ALA 21 Cb 0.70 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1h2o h ALA 21 CO -0.25 0.69 -0.94 0.35 0.00 0.00 0.00 179.25 179.10 1h2o h PHE 22 N 0.48 0.90 0.00 0.00 3.57 0.94 0.50 116.94 123.33 1h2o h PHE 22 Ca -0.08 -0.46 -0.17 0.00 3.53 0.00 0.00 57.97 60.79 1h2o h PHE 22 Cb 1.52 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 40.12 1h2o h PHE 22 CO 0.09 1.29 -1.42 0.28 -2.23 0.00 0.00 178.31 176.32 1h2o n VAL 23 N -3.84 1.29 1.54 1.41 0.31 0.18 -3.74 118.33 115.47 1h2o n VAL 23 Ca -0.09 -0.03 0.15 0.00 -0.01 0.00 0.00 64.34 64.37 1h2o n VAL 23 Cb 0.83 -1.97 0.80 0.00 -0.91 0.00 0.00 33.84 32.58 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 -4.07 0.00 -1.61 7.52 4.32 0.41 -3.98 117.00 119.59 1h2o n LEU 24 Ca -0.25 0.23 -0.02 0.00 -0.02 0.00 0.00 56.01 55.96 1h2o n LEU 24 Cb 0.58 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 42.15 1h2o n LEU 24 CO 0.09 0.00 0.25 0.47 -1.22 0.00 0.00 177.39 176.98 1h2o n ASP 25 N -1.23 -0.07 0.24 -1.43 8.00 0.75 -4.85 116.55 117.96 1h2o n ASP 25 Ca 0.16 -2.03 0.14 0.00 0.71 0.00 0.00 54.79 53.77 1h2o n ASP 25 Cb 0.22 0.05 0.44 0.00 -0.02 0.00 0.00 41.12 41.81 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 0.78 0.99 0.00 2.24 0.00 -0.07 -1.68 119.26 121.53 1h2o h ALA 26 Ca -0.39 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1h2o h ALA 26 Cb 1.55 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1h2o h ALA 26 CO -0.09 0.06 -0.17 -0.44 0.00 0.00 0.00 179.25 178.61 1h2o h ASP 27 N 0.00 0.00 0.00 0.00 3.32 -1.89 -2.99 116.42 114.86 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 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1h2o h ASP 27 CO 0.01 0.17 -0.03 -0.46 -1.72 0.00 0.00 179.24 177.21 1h2o n ASN 28 N -3.53 1.73 -0.11 6.45 0.23 -1.13 -4.61 115.26 114.30 1h2o n ASN 28 Ca -0.01 -2.14 -0.24 0.00 -0.53 0.00 0.00 54.58 51.66 1h2o n ASN 28 Cb 0.32 -0.11 -0.11 0.00 -2.08 0.00 0.00 39.78 37.80 1h2o n ASN 28 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1h2o n LEU 29 N -0.64 1.89 0.13 -4.53 -0.00 -0.65 -4.09 117.00 109.11 1h2o n LEU 29 Ca 0.04 0.40 -0.02 0.00 -0.00 0.00 0.00 56.01 56.43 1h2o n LEU 29 Cb 0.40 -0.92 0.12 0.00 -0.00 0.00 0.00 43.42 43.02 1h2o n LEU 29 CO 0.00 0.34 0.44 -0.37 -0.00 0.00 0.00 177.39 177.80 1h2o h VAL 30 N -1.00 1.43 0.00 1.96 -1.51 -1.84 -0.92 116.25 114.37 1h2o h VAL 30 Ca -0.44 -2.35 0.00 0.00 -1.23 0.00 0.00 66.70 62.68 1h2o h VAL 30 Cb 1.38 2.28 0.00 0.00 -2.13 0.00 0.00 31.29 32.82 1h2o h VAL 30 CO -0.27 0.66 0.00 -0.81 -1.23 0.00 0.00 177.57 175.92 1h2o n PRO 31 N -3.66 0.96 0.00 5.19 -0.04 -1.26 -2.01 135.00 134.18 1h2o n PRO 31 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1h2o n PRO 31 Cb 0.68 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 1h2o n PRO 31 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1h2o n LYS 32 N -0.82 1.62 0.12 0.54 5.02 -1.13 -4.67 118.16 118.85 1h2o n LYS 32 Ca 0.15 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.25 1h2o n LYS 32 Cb 0.07 -0.88 -0.15 0.00 -0.02 0.00 0.00 35.03 34.05 1h2o n LYS 32 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1h2o h ILE 33 N 0.00 1.43 -0.23 -0.18 2.04 -1.23 -3.45 117.51 115.88 1h2o h ILE 33 Ca 0.00 -2.94 0.23 0.00 1.00 0.00 0.00 64.86 63.15 1h2o h ILE 33 Cb 0.77 2.98 -0.19 0.00 -0.74 0.00 0.00 36.82 39.64 1h2o h ILE 33 CO 0.00 0.87 0.05 0.00 0.00 0.00 0.00 178.15 179.07 1h2o s ALA 34 N -2.64 -3.95 -2.00 1.87 0.00 -0.85 -5.00 121.76 109.19 1h2o s ALA 34 Ca -0.06 1.37 0.17 0.00 0.00 0.00 0.00 51.96 53.44 1h2o s ALA 34 Cb 0.06 -2.76 1.03 0.00 0.00 0.00 0.00 23.12 21.45 1h2o s ALA 34 CO 0.91 -1.92 1.45 -0.35 0.00 0.00 0.00 175.76 175.85 1h2o n PRO 35 N 5.21 0.64 -0.00 0.00 -0.04 -1.17 -2.76 135.00 136.88 1h2o n PRO 35 Ca 0.04 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.65 1h2o n PRO 35 Cb 0.57 -1.42 0.75 0.00 -0.04 0.00 0.00 33.50 33.36 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 -0.92 1.30 -0.13 0.54 6.02 -1.26 -4.01 117.38 118.92 1h2o n GLN 36 Ca 0.13 -0.44 -0.26 0.00 -0.01 0.00 0.00 57.00 56.42 1h2o n GLN 36 Cb 0.06 -1.49 -0.09 0.00 1.02 0.00 0.00 30.24 29.74 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 -0.46 1.26 -3.70 -1.58 0.00 -1.11 -4.77 120.51 110.13 1h2o n ALA 37 Ca 0.22 -1.02 -0.22 0.00 0.00 0.00 0.00 53.44 52.42 1h2o n ALA 37 Cb 0.22 0.14 -0.17 0.00 0.00 0.00 0.00 19.45 19.65 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 -2.53 0.51 0.52 0.00 1.09 -1.26 -4.60 121.20 114.94 1h2o s ILE 38 Ca -0.36 -0.04 0.24 0.00 -1.10 0.00 0.00 60.65 59.40 1h2o s ILE 38 Cb 0.13 -0.59 0.30 0.00 -1.06 0.00 0.00 42.46 41.24 1h2o s ILE 38 CO 0.46 0.25 2.16 0.50 -0.10 0.00 0.00 174.94 178.21 1h2o h LYS 39 N 7.71 0.00 0.00 2.79 3.64 0.33 -3.44 116.57 127.60 1h2o h LYS 39 Ca -0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1h2o h LYS 39 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1h2o h LYS 39 CO 0.38 0.05 0.00 1.58 -2.27 0.00 0.00 179.45 179.19 1h2o n HIS 40 N -4.02 0.00 -4.28 1.91 -0.00 -1.23 -4.94 115.22 102.66 1h2o n HIS 40 Ca -0.03 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.43 1h2o n HIS 40 Cb 0.14 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 29.96 1h2o n HIS 40 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1h2o s SER 41 N 0.00 2.06 -0.20 0.26 0.01 -1.26 -0.57 113.70 114.00 1h2o s SER 41 Ca 0.00 -0.33 -0.01 0.00 1.31 0.00 0.00 55.95 56.92 1h2o s SER 41 Cb 0.00 -0.89 0.06 0.00 0.21 0.00 0.00 66.02 65.40 1h2o s SER 41 CO 0.00 -0.03 -0.02 -0.70 0.41 0.00 0.00 173.24 172.90 1h2o s GLU 42 N 1.14 1.17 0.27 12.44 2.12 -1.14 -4.94 118.70 129.77 1h2o s GLU 42 Ca -0.05 -0.64 -0.30 0.00 0.36 0.00 0.00 54.97 54.34 1h2o s GLU 42 Cb -0.14 -2.24 -0.11 0.00 0.26 0.00 0.00 34.13 31.90 1h2o s GLU 42 CO -0.02 -0.57 1.50 0.42 -0.54 0.00 0.00 175.26 176.04 1h2o s ILE 43 N 1.64 2.41 -0.07 -3.70 1.01 -1.26 -1.56 121.20 119.66 1h2o s ILE 43 Ca -0.02 0.35 0.09 0.00 0.00 0.00 0.00 60.65 61.07 1h2o s ILE 43 Cb -0.17 -3.22 -0.13 0.00 0.01 0.00 0.00 42.46 38.95 1h2o s ILE 43 CO -0.07 0.06 0.08 -0.11 0.00 0.00 0.00 174.94 174.90 1h2o n LEU 44 N 2.14 0.00 -4.39 2.97 7.94 0.54 -4.88 117.00 121.32 1h2o n LEU 44 Ca 0.07 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.76 1h2o n LEU 44 Cb 0.39 0.18 -0.10 0.00 0.53 0.00 0.00 43.42 44.42 1h2o n LEU 44 CO 0.62 0.18 -0.46 0.26 -1.11 0.00 0.00 177.39 176.88 1h2o s TRP 45 N -2.36 1.92 0.00 1.96 0.52 -0.91 -4.84 118.94 115.23 1h2o s TRP 45 Ca -0.05 -0.48 0.00 0.00 0.02 0.00 0.00 56.10 55.60 1h2o s TRP 45 Cb 0.04 -0.87 0.00 0.00 -1.15 0.00 0.00 33.47 31.48 1h2o s TRP 45 CO 0.41 0.48 0.00 0.41 0.02 0.00 0.00 176.95 178.26 1h2o n GLY 46 N -0.39 1.80 0.82 0.98 0.00 -1.26 -3.23 105.19 103.91 1h2o n GLY 46 Ca -0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 1h2o n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1h2o n ASP 47 N -0.70 -0.13 0.00 1.61 2.03 -1.26 -4.95 116.55 113.15 1h2o n ASP 47 Ca 0.00 -1.67 0.00 0.00 0.52 0.00 0.00 54.79 53.64 1h2o n ASP 47 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1h2o n ASP 47 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1h2o n GLY 48 N 0.09 1.86 0.96 0.27 0.00 -1.26 -5.10 105.19 102.01 1h2o n GLY 48 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.00 -3.14 3.71 -0.02 0.00 -1.26 -4.83 105.19 99.65 1h2o n GLY 49 Ca 0.00 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.66 4.39 0.00 1.61 0.04 -1.26 -2.68 135.00 133.44 1h2o s PRO 50 Ca 0.20 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1h2o s PRO 50 Cb -0.03 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1h2o s PRO 50 CO 0.16 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1h2o n GLY 51 N 3.32 1.23 3.72 0.56 0.00 0.28 -4.97 105.19 109.34 1h2o n GLY 51 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.27 2.79 -0.09 2.61 2.01 -1.09 -4.70 115.64 114.90 1h2o s THR 52 Ca 0.00 0.26 -0.01 0.00 0.31 0.00 0.00 61.69 62.25 1h2o s THR 52 Cb 0.00 -2.68 0.03 0.00 0.01 0.00 0.00 72.50 69.85 1h2o s THR 52 CO 0.00 -0.33 -0.03 -0.63 -0.69 0.00 0.00 174.62 172.93 1h2o s ILE 53 N -2.88 0.64 -0.15 1.82 1.01 -1.20 -0.49 121.20 119.96 1h2o s ILE 53 Ca 0.63 -0.05 -0.03 0.00 0.00 0.00 0.00 60.65 61.20 1h2o s ILE 53 Cb -0.18 -0.74 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 1h2o s ILE 53 CO 0.57 0.30 -0.05 -0.54 0.00 0.00 0.00 174.94 175.22 1h2o s LYS 54 N 1.81 3.60 -0.69 2.79 1.02 0.43 0.20 119.74 128.91 1h2o s LYS 54 Ca 0.04 -0.53 -0.17 0.00 0.02 0.00 0.00 55.97 55.32 1h2o s LYS 54 Cb -0.12 -2.87 0.14 0.00 -0.52 0.00 0.00 37.83 34.45 1h2o s LYS 54 CO -0.06 0.26 0.75 0.21 -0.92 0.00 0.00 175.35 175.59 1h2o s LYS 55 N 0.29 3.24 0.31 1.68 2.20 -0.60 0.12 119.74 126.99 1h2o s LYS 55 Ca -0.04 -1.71 -0.27 0.00 -0.36 0.00 0.00 55.97 53.60 1h2o s LYS 55 Cb -0.14 -4.40 -0.10 0.00 -1.51 0.00 0.00 37.83 31.68 1h2o s LYS 55 CO 0.03 -1.49 0.95 0.42 -0.36 0.00 0.00 175.35 174.90 1h2o s ILE 56 N 1.94 4.18 0.21 5.43 1.01 0.76 -2.91 121.20 131.82 1h2o s ILE 56 Ca 0.15 1.85 0.10 0.00 0.00 0.00 0.00 60.65 62.75 1h2o s ILE 56 Cb -0.19 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1h2o s ILE 56 CO -0.00 0.19 -0.14 0.42 0.00 0.00 0.00 174.94 175.40 1h2o s THR 57 N -1.56 2.88 0.20 2.92 -4.23 0.26 0.07 115.64 116.18 1h2o s THR 57 Ca 0.49 -1.91 0.11 0.00 -1.18 0.00 0.00 61.69 59.21 1h2o s THR 57 Cb -0.20 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 1h2o s THR 57 CO 0.25 -0.19 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.57 1h2o s PHE 58 N -1.89 2.36 -0.31 3.99 0.08 0.81 0.26 117.98 123.27 1h2o s PHE 58 Ca 0.25 -0.33 0.07 0.00 0.12 0.00 0.00 56.93 57.03 1h2o s PHE 58 Cb -0.08 -1.15 0.46 0.00 -0.57 0.00 0.00 43.02 41.68 1h2o s PHE 58 CO 0.14 0.52 1.25 0.41 -0.10 0.00 0.00 175.22 177.44 1h2o n GLY 59 N 0.15 6.30 0.33 4.36 0.00 -1.26 -4.31 105.19 110.76 1h2o n GLY 59 Ca -0.12 -2.57 0.16 0.00 0.00 0.00 0.00 46.02 43.50 1h2o n GLY 59 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1h2o h GLU 60 N 2.10 0.00 0.00 1.61 4.81 -1.90 -3.47 114.58 117.74 1h2o h GLU 60 Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1h2o h GLU 60 Cb 1.47 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.85 1h2o h GLU 60 CO 0.78 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.47 1h2o n GLY 61 N -1.41 -1.01 0.20 1.92 0.00 -1.26 -4.98 105.19 98.65 1h2o n GLY 61 Ca 0.01 -1.02 -0.02 0.00 0.00 0.00 0.00 46.02 44.99 1h2o n GLY 61 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1h2o h SER 62 N 0.00 -0.09 -2.60 1.61 0.02 -1.98 -3.42 113.55 107.08 1h2o h SER 62 Ca 0.00 0.11 -0.59 0.00 -0.84 0.00 0.00 61.79 60.47 1h2o h SER 62 Cb 0.00 0.17 0.18 0.00 0.14 0.00 0.00 62.40 62.88 1h2o h SER 62 CO 0.00 -0.02 -0.72 0.00 -1.14 0.00 0.00 176.83 174.95 1h2o n GLN 63 N -5.17 0.29 -3.10 3.45 6.02 -1.26 -4.89 117.38 112.72 1h2o n GLN 63 Ca 0.06 0.11 -0.40 0.00 -0.01 0.00 0.00 57.00 56.77 1h2o n GLN 63 Cb 0.27 -1.43 -0.05 0.00 1.02 0.00 0.00 30.24 30.04 1h2o n GLN 63 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1h2o s TYR 64 N -1.85 3.42 -0.15 1.08 6.14 -1.26 -4.81 117.35 119.92 1h2o s TYR 64 Ca 0.63 1.00 -0.02 0.00 0.64 0.00 0.00 57.07 59.32 1h2o s TYR 64 Cb -0.45 -2.80 0.05 0.00 0.42 0.00 0.00 41.96 39.18 1h2o s TYR 64 CO 0.60 -0.12 0.02 0.20 0.64 0.00 0.00 175.55 176.89 1h2o s GLY 65 N 1.10 0.62 0.17 8.97 0.00 -1.26 -5.05 107.32 111.86 1h2o s GLY 65 Ca 0.31 -0.48 -0.18 0.00 0.00 0.00 0.00 44.72 44.36 1h2o s GLY 65 CO 0.12 1.31 0.50 -2.52 0.00 0.00 0.00 173.10 172.51 1h2o s TYR 66 N 1.90 -0.23 0.29 1.90 -0.85 -1.26 0.28 117.35 119.38 1h2o s TYR 66 Ca 0.01 -0.08 0.02 0.00 -0.52 0.00 0.00 57.07 56.51 1h2o s TYR 66 Cb -0.15 0.39 -0.04 0.00 0.38 0.00 0.00 41.96 42.53 1h2o s TYR 66 CO -0.07 -0.84 0.13 0.14 -1.52 0.00 0.00 175.55 173.40 1h2o s VAL 67 N -3.83 0.43 -0.09 -3.49 -7.23 0.11 -4.48 120.40 101.82 1h2o s VAL 67 Ca 0.05 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.26 1h2o s VAL 67 Cb -0.00 -2.56 -0.00 0.00 0.56 0.00 0.00 36.38 34.38 1h2o s VAL 67 CO -0.08 0.00 -0.23 -0.54 -0.31 0.00 0.00 175.10 173.95 1h2o s LYS 68 N -3.91 2.98 -0.12 4.82 1.02 -0.92 -0.17 119.74 123.44 1h2o s LYS 68 Ca 0.36 -0.86 0.01 0.00 0.02 0.00 0.00 55.97 55.51 1h2o s LYS 68 Cb 0.06 -2.32 -0.01 0.00 -0.52 0.00 0.00 37.83 35.04 1h2o s LYS 68 CO 0.16 0.24 -0.17 -1.01 -0.92 0.00 0.00 175.35 173.65 1h2o s HIS 69 N 0.21 2.73 -0.37 3.18 3.76 0.33 -2.27 115.29 122.87 1h2o s HIS 69 Ca -0.14 -0.78 -0.08 0.00 -0.15 0.00 0.00 55.06 53.91 1h2o s HIS 69 Cb -0.17 -1.80 0.05 0.00 1.11 0.00 0.00 32.58 31.77 1h2o s HIS 69 CO 0.07 -0.28 0.16 0.21 -0.85 0.00 0.00 174.74 174.05 1h2o s LYS 70 N 0.35 2.66 -0.02 1.40 2.20 0.67 0.16 119.74 127.15 1h2o s LYS 70 Ca -0.14 -1.22 -0.35 0.00 -0.36 0.00 0.00 55.97 53.90 1h2o s LYS 70 Cb -0.17 -3.60 -0.14 0.00 -1.51 0.00 0.00 37.83 32.42 1h2o s LYS 70 CO 0.07 -0.74 1.69 -0.89 -0.36 0.00 0.00 175.35 175.12 1h2o n ILE 71 N 4.88 0.28 -0.10 5.43 2.08 0.36 -0.31 119.36 131.99 1h2o n ILE 71 Ca -0.12 -0.05 -0.22 0.00 0.56 0.00 0.00 62.75 62.93 1h2o n ILE 71 Cb 0.45 -1.52 -0.12 0.00 -0.75 0.00 0.00 39.64 37.69 1h2o n ILE 71 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1h2o n ASP 72 N 4.91 2.00 -3.56 4.38 8.00 0.71 0.10 116.55 133.10 1h2o n ASP 72 Ca 0.21 0.10 -0.07 0.00 0.71 0.00 0.00 54.79 55.73 1h2o n ASP 72 Cb 0.25 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 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 -6.88 -0.27 0.04 -2.24 0.01 -0.02 -4.63 113.70 99.71 1h2o s SER 73 Ca -0.32 0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.04 1h2o s SER 73 Cb 0.09 0.27 -0.02 0.00 0.21 0.00 0.00 66.02 66.57 1h2o s SER 73 CO 0.62 -0.41 -0.08 -0.63 0.41 0.00 0.00 173.24 173.15 1h2o s ILE 74 N -2.39 0.57 -0.53 1.44 1.09 -1.26 -0.80 121.20 119.32 1h2o s ILE 74 Ca 0.05 -1.07 0.05 0.00 -1.10 0.00 0.00 60.65 58.59 1h2o s ILE 74 Cb -0.01 -0.63 0.19 0.00 -1.06 0.00 0.00 42.46 40.95 1h2o s ILE 74 CO -0.05 -0.35 0.47 0.47 -0.10 0.00 0.00 174.94 175.37 1h2o n ASP 75 N 1.50 1.25 0.19 3.58 8.00 -0.70 -4.91 116.55 125.46 1h2o n ASP 75 Ca -0.22 -2.82 0.14 0.00 0.71 0.00 0.00 54.79 52.59 1h2o n ASP 75 Cb 0.55 -0.65 0.67 0.00 -0.02 0.00 0.00 41.12 41.67 1h2o n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1h2o h LYS 76 N 5.12 0.00 0.04 -1.24 1.57 -1.96 2.26 116.57 122.36 1h2o h LYS 76 Ca 0.19 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.63 1h2o h LYS 76 Cb 0.82 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.09 1h2o h LYS 76 CO 0.55 0.00 -2.06 0.39 -0.57 0.00 0.00 179.45 177.76 1h2o n GLU 77 N -2.45 0.68 0.00 3.15 1.02 -1.26 -4.16 120.64 117.62 1h2o n GLU 77 Ca -0.01 0.20 0.11 0.00 -0.02 0.00 0.00 57.16 57.45 1h2o n GLU 77 Cb 0.12 -1.67 0.04 0.00 -0.02 0.00 0.00 31.44 29.91 1h2o n GLU 77 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1h2o n ASN 78 N -3.15 2.09 -3.29 1.62 3.02 -0.79 -4.99 115.26 109.76 1h2o n ASN 78 Ca -0.29 -1.54 -0.16 0.00 -0.03 0.00 0.00 54.58 52.56 1h2o n ASN 78 Cb 1.06 0.39 0.08 0.00 -0.61 0.00 0.00 39.78 40.69 1h2o n ASN 78 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1h2o n TYR 79 N 0.12 -2.37 -4.31 3.10 4.01 0.76 -4.34 117.16 114.12 1h2o n TYR 79 Ca 0.10 0.88 -0.16 0.00 -0.16 0.00 0.00 57.90 58.56 1h2o n TYR 79 Cb 0.48 -4.40 -0.10 0.00 -0.31 0.00 0.00 39.34 35.00 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 -3.68 1.91 -0.07 7.72 0.01 -0.86 0.25 113.70 118.99 1h2o s SER 80 Ca 0.32 -1.13 -0.05 0.00 1.31 0.00 0.00 55.95 56.40 1h2o s SER 80 Cb -0.04 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.19 1h2o s SER 80 CO 0.73 -0.41 0.17 -0.47 0.41 0.00 0.00 173.24 173.67 1h2o s TYR 81 N -3.33 -0.19 -0.04 2.43 5.04 0.41 -1.71 117.35 119.95 1h2o s TYR 81 Ca 0.24 0.47 -0.02 0.00 -2.44 0.00 0.00 57.07 55.32 1h2o s TYR 81 Cb 0.04 0.05 0.03 0.00 0.35 0.00 0.00 41.96 42.43 1h2o s TYR 81 CO 0.06 -0.11 0.06 -1.12 -1.34 0.00 0.00 175.55 173.10 1h2o s SER 82 N 0.28 0.96 0.32 4.32 0.01 0.02 0.14 113.70 119.74 1h2o s SER 82 Ca -0.02 0.08 0.06 0.00 1.31 0.00 0.00 55.95 57.38 1h2o s SER 82 Cb -0.03 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.05 1h2o s SER 82 CO -0.01 -0.23 0.24 -0.72 0.41 0.00 0.00 173.24 172.93 1h2o s TYR 83 N 2.00 1.67 -0.02 2.43 1.13 -0.06 0.25 117.35 124.76 1h2o s TYR 83 Ca 0.03 -1.59 0.02 0.00 -1.41 0.00 0.00 57.07 54.12 1h2o s TYR 83 Cb -0.12 -0.73 0.00 0.00 -1.10 0.00 0.00 41.96 40.01 1h2o s TYR 83 CO -0.03 -0.78 -0.07 0.99 -2.51 0.00 0.00 175.55 173.14 1h2o s THR 84 N -3.54 0.63 -0.29 -3.49 2.01 0.58 -0.05 115.64 111.50 1h2o s THR 84 Ca 0.39 -0.29 -0.17 0.00 0.31 0.00 0.00 61.69 61.92 1h2o s THR 84 Cb 0.03 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 1h2o s THR 84 CO 0.24 0.20 0.49 -0.22 -0.69 0.00 0.00 174.62 174.64 1h2o s LEU 85 N 0.11 4.14 -0.04 4.42 2.96 0.18 -0.24 118.68 130.21 1h2o s LEU 85 Ca -0.01 0.30 0.13 0.00 -0.22 0.00 0.00 54.13 54.33 1h2o s LEU 85 Cb -0.06 -2.60 -0.20 0.00 0.50 0.00 0.00 46.19 43.83 1h2o s LEU 85 CO 0.00 -0.33 0.24 2.30 -1.32 0.00 0.00 176.35 177.24 1h2o n ILE 86 N 5.24 0.19 -4.53 6.68 -5.35 -0.96 -1.61 119.36 119.03 1h2o n ILE 86 Ca -0.05 -0.36 -0.24 0.00 -0.27 0.00 0.00 62.75 61.83 1h2o n ILE 86 Cb 0.50 -0.00 -0.16 0.00 -1.74 0.00 0.00 39.64 38.23 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 -2.81 1.54 -0.30 6.28 2.12 -1.25 -4.87 118.70 119.42 1h2o s GLU 87 Ca -0.05 -0.37 -0.16 0.00 0.36 0.00 0.00 54.97 54.75 1h2o s GLU 87 Cb 0.08 -1.30 0.18 0.00 0.26 0.00 0.00 34.13 33.34 1h2o s GLU 87 CO 0.56 0.03 1.15 0.20 -0.54 0.00 0.00 175.26 176.66 1h2o s GLY 88 N 0.63 -0.32 0.60 -1.50 0.00 -1.26 -2.17 107.32 103.30 1h2o s GLY 88 Ca -0.13 2.85 0.30 0.00 0.00 0.00 0.00 44.72 47.75 1h2o s GLY 88 CO 0.03 3.97 1.45 1.29 0.00 0.00 0.00 173.10 179.84 1h2o h ASP 89 N 7.83 0.00 0.14 1.64 2.03 -1.99 1.04 116.42 127.10 1h2o h ASP 89 Ca -0.11 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 55.95 1h2o h ASP 89 Cb 1.18 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.69 1h2o h ASP 89 CO -0.17 0.00 -0.95 0.00 -1.03 0.00 0.00 179.24 177.08 1h2o h ALA 90 N 0.76 0.28 0.00 4.15 0.00 -1.96 -3.23 119.26 119.26 1h2o h ALA 90 Ca 0.50 -0.69 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 1h2o h ALA 90 Cb 2.73 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 20.50 1h2o h ALA 90 CO -0.01 0.74 -1.15 1.37 0.00 0.00 0.00 179.25 180.21 1h2o h LEU 91 N 0.34 0.00 -1.15 0.00 8.10 0.67 -3.33 115.31 119.93 1h2o h LEU 91 Ca -0.09 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.86 1h2o h LEU 91 Cb 1.59 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.79 1h2o h LEU 91 CO 0.18 0.57 0.14 1.23 -4.11 0.00 0.00 178.44 176.45 1h2o h GLY 92 N 3.63 0.79 -0.89 0.17 0.00 -0.95 1.60 103.07 107.43 1h2o h GLY 92 Ca -0.11 -0.43 0.40 0.00 0.00 0.00 0.00 47.33 47.19 1h2o h GLY 92 CO 0.05 0.40 0.86 -1.80 0.00 0.00 0.00 176.54 176.06 1h2o h ASP 93 N 0.72 0.24 0.00 0.19 3.58 -1.67 -3.38 116.42 116.11 1h2o h ASP 93 Ca 0.17 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.71 1h2o h ASP 93 Cb 0.23 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.36 1h2o h ASP 93 CO -0.01 -0.09 0.00 0.35 -2.88 0.00 0.00 179.24 176.62 1h2o n THR 94 N -4.56 0.00 -1.93 2.25 -2.24 -0.96 -5.13 114.28 101.71 1h2o n THR 94 Ca 0.34 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.82 1h2o n THR 94 Cb 1.34 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 69.75 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 -2.01 2.70 0.00 3.22 1.43 0.54 -3.64 118.68 120.93 1h2o s LEU 95 Ca 0.00 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1h2o s LEU 95 Cb 0.00 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.88 1h2o s LEU 95 CO 0.00 -2.71 0.00 1.21 0.23 0.00 0.00 176.35 175.08 1h2o n GLU 96 N -3.76 0.00 -2.74 1.70 2.13 -0.65 -3.82 120.64 113.50 1h2o n GLU 96 Ca 0.15 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.56 1h2o n GLU 96 Cb 0.59 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.26 1h2o n GLU 96 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1h2o s LYS 97 N -0.10 4.72 -0.03 5.31 1.02 -1.11 -4.56 119.74 124.99 1h2o s LYS 97 Ca 0.00 1.45 0.01 0.00 0.02 0.00 0.00 55.97 57.45 1h2o s LYS 97 Cb 0.00 -3.36 0.02 0.00 -0.52 0.00 0.00 37.83 33.97 1h2o s LYS 97 CO 0.00 0.27 -0.03 0.42 -0.92 0.00 0.00 175.35 175.09 1h2o s ILE 98 N -0.22 0.34 -0.14 2.17 1.01 -0.63 0.67 121.20 124.40 1h2o s ILE 98 Ca 0.46 -0.05 -0.04 0.00 0.00 0.00 0.00 60.65 61.01 1h2o s ILE 98 Cb -0.24 -0.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.83 1h2o s ILE 98 CO 0.30 0.16 -0.01 -0.44 0.00 0.00 0.00 174.94 174.95 1h2o s SER 99 N 0.70 5.09 -0.07 3.58 0.01 -0.88 0.47 113.70 122.60 1h2o s SER 99 Ca -0.08 -0.01 0.04 0.00 1.31 0.00 0.00 55.95 57.21 1h2o s SER 99 Cb -0.11 -1.73 -0.00 0.00 0.21 0.00 0.00 66.02 64.38 1h2o s SER 99 CO -0.01 0.23 -0.21 -0.31 0.41 0.00 0.00 173.24 173.35 1h2o s TYR 100 N 0.03 2.16 -0.05 2.43 2.02 0.93 0.31 117.35 125.18 1h2o s TYR 100 Ca 0.02 -0.75 -0.00 0.00 -0.37 0.00 0.00 57.07 55.97 1h2o s TYR 100 Cb -0.13 -1.45 0.03 0.00 -0.40 0.00 0.00 41.96 40.01 1h2o s TYR 100 CO 0.02 -0.28 -0.01 -2.00 -1.57 0.00 0.00 175.55 171.71 1h2o s GLU 101 N 0.18 0.59 0.20 -0.62 2.12 0.32 -0.88 118.70 120.60 1h2o s GLU 101 Ca -0.10 0.04 0.11 0.00 0.36 0.00 0.00 54.97 55.37 1h2o s GLU 101 Cb -0.15 -0.80 -0.04 0.00 0.26 0.00 0.00 34.13 33.39 1h2o s GLU 101 CO 0.05 -0.19 -0.20 0.99 -0.54 0.00 0.00 175.26 175.37 1h2o s THR 102 N 1.42 2.59 -0.07 -1.70 2.01 0.37 0.16 115.64 120.42 1h2o s THR 102 Ca -0.04 -1.97 -0.04 0.00 0.31 0.00 0.00 61.69 59.96 1h2o s THR 102 Cb -0.13 -2.26 0.03 0.00 0.01 0.00 0.00 72.50 70.15 1h2o s THR 102 CO -0.03 -0.14 0.16 -0.54 -0.69 0.00 0.00 174.62 173.38 1h2o s LYS 103 N -2.79 0.13 0.06 4.92 1.02 0.61 -0.45 119.74 123.24 1h2o s LYS 103 Ca 0.23 0.36 0.10 0.00 0.02 0.00 0.00 55.97 56.67 1h2o s LYS 103 Cb -0.08 -0.11 -0.03 0.00 -0.52 0.00 0.00 37.83 37.09 1h2o s LYS 103 CO 0.12 -0.13 -0.27 -0.51 -0.92 0.00 0.00 175.35 173.64 1h2o s LEU 104 N 0.93 2.20 0.00 3.17 1.43 0.70 0.15 118.68 127.26 1h2o s LEU 104 Ca -0.07 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 1h2o s LEU 104 Cb -0.09 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.86 1h2o s LEU 104 CO -0.05 0.24 0.00 0.52 0.23 0.00 0.00 176.35 177.29 1h2o n VAL 105 N 1.61 0.00 -4.87 -1.59 0.31 0.16 -4.39 118.33 109.55 1h2o n VAL 105 Ca -0.17 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 63.84 1h2o n VAL 105 Cb 0.52 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.32 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 -1.35 2.63 0.35 3.52 0.00 -1.26 -0.75 121.76 124.89 1h2o s ALA 106 Ca 0.00 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 50.97 1h2o s ALA 106 Cb 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 1h2o s ALA 106 CO 0.00 0.56 0.51 -1.54 0.00 0.00 0.00 175.76 175.29 1h2o s SER 107 N -0.85 6.07 0.00 0.00 1.04 0.70 -4.51 113.70 116.14 1h2o s SER 107 Ca 0.12 0.10 0.19 0.00 0.48 0.00 0.00 55.95 56.84 1h2o s SER 107 Cb -0.11 -1.59 1.02 0.00 0.10 0.00 0.00 66.02 65.45 1h2o s SER 107 CO 0.01 -0.40 1.54 -0.81 0.98 0.00 0.00 173.24 174.56 1h2o n PRO 108 N -1.73 0.42 -0.10 4.02 -0.04 -1.26 -2.21 135.00 134.09 1h2o n PRO 108 Ca -0.02 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.61 1h2o n PRO 108 Cb 0.57 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.15 3.19 0.00 3.54 3.41 -1.26 -4.94 113.62 116.41 1h2o n SER 109 Ca 0.11 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 1h2o n SER 109 Cb 0.11 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 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 1.37 2.88 0.92 5.00 0.00 -0.94 -5.04 105.19 109.38 1h2o n GLY 110 Ca 0.16 -0.13 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.42 3.19 -0.02 0.00 -1.26 -4.69 105.19 99.98 1h2o n GLY 111 Ca 0.00 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.28 2.78 0.31 1.61 1.04 0.46 -0.21 113.70 117.41 1h2o s SER 112 Ca 0.19 -0.49 -0.26 0.00 0.48 0.00 0.00 55.95 55.86 1h2o s SER 112 Cb -0.02 -1.14 -0.10 0.00 0.10 0.00 0.00 66.02 64.86 1h2o s SER 112 CO 0.14 0.15 0.94 -0.63 0.98 0.00 0.00 173.24 174.82 1h2o s ILE 113 N 0.28 4.20 -0.21 -1.02 1.01 0.07 0.27 121.20 125.80 1h2o s ILE 113 Ca -0.14 1.85 -0.01 0.00 0.00 0.00 0.00 60.65 62.34 1h2o s ILE 113 Cb -0.16 -4.04 0.06 0.00 0.01 0.00 0.00 42.46 38.32 1h2o s ILE 113 CO 0.07 0.18 0.00 -0.63 0.00 0.00 0.00 174.94 174.56 1h2o s ILE 114 N -1.57 0.92 -0.19 2.92 1.01 0.38 0.38 121.20 125.05 1h2o s ILE 114 Ca 0.49 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 60.20 1h2o s ILE 114 Cb -0.19 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 1h2o s ILE 114 CO 0.25 -0.18 0.16 -0.75 0.00 0.00 0.00 174.94 174.42 1h2o s LYS 115 N 1.67 4.17 0.15 2.79 2.20 0.38 -1.35 119.74 129.75 1h2o s LYS 115 Ca -0.03 -0.16 0.11 0.00 -0.36 0.00 0.00 55.97 55.53 1h2o s LYS 115 Cb -0.18 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 1h2o s LYS 115 CO -0.08 0.31 -0.25 0.45 -0.36 0.00 0.00 175.35 175.43 1h2o s SER 116 N 0.31 3.24 0.01 1.43 0.15 -0.32 0.23 113.70 118.74 1h2o s SER 116 Ca 0.10 -0.79 -0.10 0.00 0.70 0.00 0.00 55.95 55.86 1h2o s SER 116 Cb -0.11 -0.22 0.01 0.00 -1.71 0.00 0.00 66.02 63.99 1h2o s SER 116 CO -0.01 0.14 0.20 -0.89 1.20 0.00 0.00 173.24 173.88 1h2o s THR 117 N -1.31 0.09 -0.21 6.45 2.01 0.41 -0.31 115.64 122.76 1h2o s THR 117 Ca 0.15 -0.71 -0.20 0.00 0.31 0.00 0.00 61.69 61.24 1h2o s THR 117 Cb -0.09 -0.66 0.06 0.00 0.01 0.00 0.00 72.50 71.81 1h2o s THR 117 CO 0.07 -0.39 0.57 -0.94 -0.69 0.00 0.00 174.62 173.24 1h2o s SER 118 N -1.64 -0.59 0.16 3.53 1.04 0.05 -0.52 113.70 115.72 1h2o s SER 118 Ca -0.11 1.15 0.07 0.00 0.48 0.00 0.00 55.95 57.54 1h2o s SER 118 Cb -0.05 1.16 -0.04 0.00 0.10 0.00 0.00 66.02 67.20 1h2o s SER 118 CO 0.00 -0.20 -0.15 -1.00 0.98 0.00 0.00 173.24 172.88 1h2o s HIS 119 N 0.31 1.56 0.00 5.02 3.76 0.15 -1.72 115.29 124.37 1h2o s HIS 119 Ca -0.00 -0.57 0.08 0.00 -0.15 0.00 0.00 55.06 54.42 1h2o s HIS 119 Cb -0.04 -0.78 -0.02 0.00 1.11 0.00 0.00 32.58 32.85 1h2o s HIS 119 CO 0.01 0.24 -0.26 0.71 -0.85 0.00 0.00 174.74 174.59 1h2o s TYR 120 N -2.52 2.28 -0.39 1.40 1.51 -0.74 -2.06 117.35 116.83 1h2o s TYR 120 Ca 0.15 -0.42 0.03 0.00 -1.01 0.00 0.00 57.07 55.82 1h2o s TYR 120 Cb -0.03 -1.43 0.11 0.00 -0.11 0.00 0.00 41.96 40.50 1h2o s TYR 120 CO 0.05 0.02 0.12 -1.01 -1.11 0.00 0.00 175.55 173.62 1h2o s HIS 121 N -0.67 3.22 0.61 2.71 3.76 0.21 -2.39 115.29 122.73 1h2o s HIS 121 Ca 0.10 -2.84 -0.14 0.00 -0.15 0.00 0.00 55.06 52.03 1h2o s HIS 121 Cb -0.10 -2.67 -0.03 0.00 1.11 0.00 0.00 32.58 30.89 1h2o s HIS 121 CO 0.00 -0.87 1.04 0.95 -0.85 0.00 0.00 174.74 175.01 1h2o s THR 122 N 0.64 4.07 -0.33 1.30 -4.23 -1.21 -1.64 115.64 114.24 1h2o s THR 122 Ca 0.13 0.88 -0.03 0.00 -1.18 0.00 0.00 61.69 61.48 1h2o s THR 122 Cb -0.21 -3.49 0.06 0.00 1.34 0.00 0.00 72.50 70.20 1h2o s THR 122 CO -0.07 -0.68 0.06 -0.75 -0.54 0.00 0.00 174.62 172.64 1h2o s LYS 123 N -4.40 2.41 0.00 3.99 2.20 -1.24 -4.86 119.74 117.83 1h2o s LYS 123 Ca 0.61 -1.34 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 1h2o s LYS 123 Cb -0.14 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 1h2o s LYS 123 CO 0.42 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 175.11 1h2o n GLY 124 N 4.66 0.72 2.52 5.54 0.00 -1.26 -4.69 105.19 112.68 1h2o n GLY 124 Ca -0.11 -1.28 -0.27 0.00 0.00 0.00 0.00 46.02 44.37 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 2.00 -3.97 1.61 5.15 -1.26 -5.08 115.26 113.71 1h2o n ASN 125 Ca 0.00 -3.02 -0.09 0.00 -0.60 0.00 0.00 54.58 50.87 1h2o n ASN 125 Cb 0.00 -0.67 -0.10 0.00 -0.53 0.00 0.00 39.78 38.48 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 -1.42 0.13 0.22 3.44 -7.23 -1.26 -5.17 120.40 109.11 1h2o s VAL 126 Ca 0.33 -1.07 0.06 0.00 -1.81 0.00 0.00 61.98 59.50 1h2o s VAL 126 Cb 0.07 -0.63 -0.05 0.00 0.56 0.00 0.00 36.38 36.33 1h2o s VAL 126 CO -0.12 -0.59 -0.10 -1.61 -0.31 0.00 0.00 175.10 172.38 1h2o s GLU 127 N -2.11 1.34 0.72 4.82 2.02 -1.26 -4.80 118.70 119.43 1h2o s GLU 127 Ca -0.10 -1.62 -0.06 0.00 0.02 0.00 0.00 54.97 53.21 1h2o s GLU 127 Cb -0.05 -0.98 0.09 0.00 0.10 0.00 0.00 34.13 33.29 1h2o s GLU 127 CO -0.03 0.10 1.03 0.42 0.02 0.00 0.00 175.26 176.79 1h2o s ILE 128 N -3.10 2.25 -0.18 -1.63 1.09 -1.26 -5.00 121.20 113.38 1h2o s ILE 128 Ca 0.24 -0.33 -0.05 0.00 -1.10 0.00 0.00 60.65 59.41 1h2o s ILE 128 Cb 0.02 -2.92 -0.03 0.00 -1.06 0.00 0.00 42.46 38.47 1h2o s ILE 128 CO 0.07 0.00 -0.00 -0.54 -0.10 0.00 0.00 174.94 174.37 1h2o s LYS 129 N -5.26 3.69 0.20 2.79 1.02 -1.26 -5.00 119.74 115.91 1h2o s LYS 129 Ca 0.63 -0.50 -0.21 0.00 0.02 0.00 0.00 55.97 55.91 1h2o s LYS 129 Cb -0.09 -3.04 0.14 0.00 -0.52 0.00 0.00 37.83 34.32 1h2o s LYS 129 CO 0.45 0.13 1.56 0.93 -0.92 0.00 0.00 175.35 177.50 1h2o h GLU 130 N 7.11 -0.09 -0.54 1.68 5.08 -1.97 1.97 114.58 127.81 1h2o h GLU 130 Ca -0.34 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.18 1h2o h GLU 130 Cb 1.18 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1h2o h GLU 130 CO 0.63 -0.06 0.76 1.49 -1.00 0.00 0.00 179.01 180.82 1h2o h GLU 131 N -0.10 0.00 0.00 2.33 4.81 -1.96 1.23 114.58 120.90 1h2o h GLU 131 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1h2o h GLU 131 Cb 0.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1h2o h GLU 131 CO -0.83 0.00 -0.16 1.25 -0.73 0.00 0.00 179.01 178.54 1h2o h HIS 132 N 0.00 0.00 -0.68 0.92 2.76 0.27 -2.99 115.15 115.43 1h2o h HIS 132 Ca 0.26 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.39 1h2o h HIS 132 Cb 1.77 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.70 1h2o h HIS 132 CO 0.00 0.00 0.26 -0.24 -1.30 0.00 0.00 177.93 176.65 1h2o h VAL 133 N -0.51 1.24 -0.53 5.26 3.04 -0.71 -0.86 116.25 123.19 1h2o h VAL 133 Ca 0.00 -0.78 -0.03 0.00 -1.01 0.00 0.00 66.70 64.88 1h2o h VAL 133 Cb 0.16 0.48 -0.02 0.00 -2.01 0.00 0.00 31.29 29.90 1h2o h VAL 133 CO 0.00 0.31 0.22 0.11 -1.01 0.00 0.00 177.57 177.20 1h2o h LYS 134 N 0.97 0.78 0.00 4.17 1.57 0.13 -1.92 116.57 122.27 1h2o h LYS 134 Ca 0.23 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1h2o h LYS 134 Cb 0.23 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1h2o h LYS 134 CO -0.02 0.68 -0.24 0.00 -0.57 0.00 0.00 179.45 179.30 1h2o h ALA 135 N 1.07 1.21 -0.08 3.86 0.00 -1.34 -2.50 119.26 121.48 1h2o h ALA 135 Ca 0.18 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1h2o h ALA 135 Cb 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1h2o h ALA 135 CO -0.02 0.31 -0.59 0.78 0.00 0.00 0.00 179.25 179.73 1h2o h GLY 136 N 1.34 0.29 1.56 0.00 0.00 -0.41 -2.30 103.07 103.55 1h2o h GLY 136 Ca -0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 1h2o h GLY 136 CO 0.03 0.31 0.05 0.50 0.00 0.00 0.00 176.54 177.44 1h2o h LYS 137 N 0.20 0.56 0.04 4.80 1.57 -0.94 -2.01 116.57 120.80 1h2o h LYS 137 Ca -0.00 -0.10 -0.22 0.00 -1.87 0.00 0.00 60.65 58.45 1h2o h LYS 137 Cb 1.08 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1h2o h LYS 137 CO 0.09 0.55 -1.04 1.49 -0.57 0.00 0.00 179.45 179.97 1h2o h GLU 138 N 0.54 0.11 -0.62 3.15 4.81 -1.52 -2.70 114.58 118.36 1h2o h GLU 138 Ca 0.12 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 1h2o h GLU 138 Cb 0.27 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1h2o h GLU 138 CO 0.00 1.04 0.06 0.87 -0.73 0.00 0.00 179.01 180.26 1h2o h LYS 139 N 0.04 1.05 -0.07 1.92 1.57 -0.92 -1.48 116.57 118.67 1h2o h LYS 139 Ca -0.05 -0.29 -0.07 0.00 -1.87 0.00 0.00 60.65 58.36 1h2o h LYS 139 Cb 1.76 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.96 1h2o h LYS 139 CO 0.15 0.99 -0.24 0.00 -0.57 0.00 0.00 179.45 179.77 1h2o h ALA 140 N 1.08 0.12 -0.82 3.86 0.00 -1.43 -2.97 119.26 119.10 1h2o h ALA 140 Ca 0.19 -0.41 0.08 0.00 0.00 0.00 0.00 54.91 54.77 1h2o h ALA 140 Cb 0.48 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1h2o h ALA 140 CO 0.02 0.11 0.48 1.03 0.00 0.00 0.00 179.25 180.90 1h2o h SER 141 N -0.22 0.72 -0.72 0.00 0.87 -1.41 -1.32 113.55 111.47 1h2o h SER 141 Ca -0.01 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1h2o h SER 141 Cb 0.88 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.69 1h2o h SER 141 CO 0.05 0.43 0.46 0.78 -0.53 0.00 0.00 176.83 178.02 1h2o h ASN 142 N 0.84 0.77 -0.65 6.23 2.35 -1.27 -1.59 115.58 122.26 1h2o h ASN 142 Ca 0.38 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.12 1h2o h ASN 142 Cb 0.28 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1h2o h ASN 142 CO -0.22 0.55 0.40 -0.07 -1.65 0.00 0.00 177.43 176.44 1h2o h LEU 143 N 0.92 0.78 -1.51 1.61 3.38 -1.10 -1.21 115.31 118.17 1h2o h LEU 143 Ca 0.28 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1h2o h LEU 143 Cb -0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1h2o h LEU 143 CO -0.09 0.59 -0.07 -0.26 0.09 0.00 0.00 178.44 178.71 1h2o h PHE 144 N 0.90 0.24 0.00 1.13 0.04 -0.67 -0.93 116.94 117.64 1h2o h PHE 144 Ca 0.24 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.99 1h2o h PHE 144 Cb -0.05 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.03 1h2o h PHE 144 CO 0.00 0.31 0.00 0.87 -0.60 0.00 0.00 178.31 178.89 1h2o h LYS 145 N 0.23 0.00 0.13 1.51 1.57 -0.86 -1.61 116.57 117.53 1h2o h LYS 145 Ca 0.05 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.54 1h2o h LYS 145 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1h2o h LYS 145 CO 0.01 0.00 -1.40 -0.07 -0.57 0.00 0.00 179.45 177.42 1h2o h LEU 146 N 0.00 0.43 -0.05 2.94 3.38 -0.96 -2.71 115.31 118.33 1h2o h LEU 146 Ca 0.00 -0.52 -0.06 0.00 0.09 0.00 0.00 57.88 57.39 1h2o h LEU 146 Cb 0.63 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1h2o h LEU 146 CO 0.00 1.42 -0.22 0.40 0.09 0.00 0.00 178.44 180.13 1h2o h ILE 147 N 0.07 1.45 -0.53 1.22 2.04 -1.29 -1.36 117.51 119.11 1h2o h ILE 147 Ca -0.19 -1.64 0.07 0.00 1.00 0.00 0.00 64.86 64.09 1h2o h ILE 147 Cb 2.00 2.37 -0.03 0.00 -0.74 0.00 0.00 36.82 40.42 1h2o h ILE 147 CO 0.19 0.46 0.35 -0.33 0.00 0.00 0.00 178.15 178.82 1h2o h GLU 148 N -0.29 0.44 0.00 2.37 5.08 -1.40 0.13 114.58 120.90 1h2o h GLU 148 Ca -0.01 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 1h2o h GLU 148 Cb 0.86 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1h2o h GLU 148 CO 0.05 0.29 -0.53 1.15 -1.00 0.00 0.00 179.01 178.97 1h2o h THR 149 N 0.45 1.00 0.12 1.13 2.02 -1.37 -2.45 112.91 113.81 1h2o h THR 149 Ca 0.23 -2.14 -0.01 0.00 0.77 0.00 0.00 66.41 65.27 1h2o h THR 149 Cb 0.34 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1h2o h THR 149 CO -0.06 0.52 -0.06 0.22 0.37 0.00 0.00 175.52 176.51 1h2o h TYR 150 N 0.00 -0.15 0.00 3.16 3.20 0.42 -2.67 116.97 120.93 1h2o h TYR 150 Ca -0.01 -0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.72 1h2o h TYR 150 Cb 1.26 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.56 1h2o h TYR 150 CO 0.00 0.00 -0.66 -0.07 -1.64 0.00 0.00 178.16 175.79 1h2o h LEU 151 N -0.28 0.00 -1.96 2.82 3.38 -1.53 0.68 115.31 118.42 1h2o h LEU 151 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1h2o h LEU 151 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1h2o h LEU 151 CO 0.03 0.66 0.00 0.50 0.09 0.00 0.00 178.44 179.72 1h2o h LYS 152 N 0.00 0.00 0.00 1.13 3.64 -1.24 -2.91 116.57 117.18 1h2o h LYS 152 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1h2o h LYS 152 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1h2o h LYS 152 CO 0.09 0.00 -0.86 0.41 -2.27 0.00 0.00 179.45 176.82 1h2o n GLY 153 N -0.80 0.03 3.20 5.01 0.00 -1.02 -4.90 105.19 106.70 1h2o n GLY 153 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.74 3.54 -2.00 1.61 3.76 0.23 -4.88 115.29 115.81 1h2o s HIS 154 Ca 0.00 -2.32 0.12 0.00 -0.15 0.00 0.00 55.06 52.71 1h2o s HIS 154 Cb 0.00 -3.48 0.70 0.00 1.11 0.00 0.00 32.58 30.91 1h2o s HIS 154 CO 0.00 -0.92 1.22 -0.35 -0.85 0.00 0.00 174.74 173.84 1h2o n PRO 155 N 3.88 0.70 0.00 8.40 -0.04 -1.26 -2.49 135.00 144.18 1h2o n PRO 155 Ca 0.08 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.55 1h2o n PRO 155 Cb 0.42 -1.26 -0.00 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 -0.76 0.56 -4.57 3.54 8.00 -1.26 -4.69 116.55 117.36 1h2o n ASP 156 Ca 0.09 -0.78 -0.40 0.00 0.71 0.00 0.00 54.79 54.41 1h2o n ASP 156 Cb 0.04 0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 41.72 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 -0.59 1.27 -2.28 2.24 0.00 -1.04 -3.06 120.51 117.05 1h2o n ALA 157 Ca 0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 53.44 52.81 1h2o n ALA 157 Cb 0.05 -3.07 -0.01 0.00 0.00 0.00 0.00 19.45 16.43 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 13.88 -1.50 -0.90 0.00 4.11 -1.26 -4.98 117.16 126.51 1h2o n TYR 158 Ca 0.34 0.06 0.00 0.00 -0.00 0.00 0.00 57.90 58.30 1h2o n TYR 158 Cb 0.50 -0.86 0.00 0.00 -0.00 0.00 0.00 39.34 38.97 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15