#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 1.81 0.08 1.61 1.01 -1.26 -3.48 120.40 120.17 1h2o s VAL 2 Ca 0.00 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 60.96 1h2o s VAL 2 Cb 0.00 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 1h2o s VAL 2 CO 0.00 0.51 0.35 -0.36 0.00 0.00 0.00 175.10 175.60 1h2o s PHE 3 N -0.26 3.54 -0.16 5.22 0.40 -0.99 -4.86 117.98 120.87 1h2o s PHE 3 Ca 0.01 0.63 -0.00 0.00 -0.60 0.00 0.00 56.93 56.97 1h2o s PHE 3 Cb -0.11 -2.05 0.03 0.00 0.51 0.00 0.00 43.02 41.40 1h2o s PHE 3 CO 0.02 0.51 -0.09 0.99 0.70 0.00 0.00 175.22 177.35 1h2o s THR 4 N -1.47 1.28 -0.05 0.64 2.01 -1.26 -2.42 115.64 114.37 1h2o s THR 4 Ca 0.34 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.75 1h2o s THR 4 Cb -0.13 -1.35 0.01 0.00 0.01 0.00 0.00 72.50 71.04 1h2o s THR 4 CO 0.20 0.26 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.97 1h2o s TYR 5 N 1.58 1.29 0.11 4.92 2.02 -0.48 -5.00 117.35 121.78 1h2o s TYR 5 Ca 0.02 -0.40 0.05 0.00 -0.37 0.00 0.00 57.07 56.37 1h2o s TYR 5 Cb -0.14 -0.93 -0.04 0.00 -0.40 0.00 0.00 41.96 40.45 1h2o s TYR 5 CO -0.09 -0.19 -0.14 -1.83 -1.57 0.00 0.00 175.55 171.74 1h2o s GLU 6 N 0.41 0.95 0.23 -0.62 -1.05 -1.26 -0.18 118.70 117.18 1h2o s GLU 6 Ca -0.09 -1.15 0.03 0.00 -0.15 0.00 0.00 54.97 53.61 1h2o s GLU 6 Cb -0.13 -0.83 -0.05 0.00 -0.44 0.00 0.00 34.13 32.68 1h2o s GLU 6 CO 0.02 0.16 0.01 0.45 0.95 0.00 0.00 175.26 176.85 1h2o s SER 7 N -2.27 1.71 -0.22 0.83 0.15 0.43 -4.96 113.70 109.38 1h2o s SER 7 Ca 0.06 -1.23 -0.08 0.00 0.70 0.00 0.00 55.95 55.39 1h2o s SER 7 Cb -0.06 0.03 0.09 0.00 -1.71 0.00 0.00 66.02 64.38 1h2o s SER 7 CO 0.02 -0.54 0.48 -1.61 1.20 0.00 0.00 173.24 172.79 1h2o s GLU 8 N -3.88 0.41 0.31 5.44 2.02 -1.26 -2.21 118.70 119.52 1h2o s GLU 8 Ca 0.29 1.10 -0.02 0.00 0.02 0.00 0.00 54.97 56.35 1h2o s GLU 8 Cb 0.06 0.38 0.01 0.00 0.10 0.00 0.00 34.13 34.68 1h2o s GLU 8 CO 0.09 -0.22 0.44 1.97 0.02 0.00 0.00 175.26 177.56 1h2o n PHE 9 N 5.18 -1.38 -4.19 1.61 -1.74 -0.57 -5.00 117.46 111.37 1h2o n PHE 9 Ca -0.12 -2.00 -0.15 0.00 -0.56 0.00 0.00 57.45 54.63 1h2o n PHE 9 Cb 0.51 0.50 -0.08 0.00 1.52 0.00 0.00 39.48 41.93 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 -2.72 0.00 0.19 1.97 -4.23 -1.26 0.13 115.64 109.71 1h2o s THR 10 Ca 0.24 -1.88 -0.22 0.00 -1.18 0.00 0.00 61.69 58.65 1h2o s THR 10 Cb -0.01 -2.49 0.06 0.00 1.34 0.00 0.00 72.50 71.39 1h2o s THR 10 CO 0.17 0.00 0.62 -0.55 -0.54 0.00 0.00 174.62 174.32 1h2o s SER 11 N -3.23 -0.49 0.35 3.99 0.15 0.11 -4.89 113.70 109.69 1h2o s SER 11 Ca 0.37 -0.14 0.22 0.00 0.70 0.00 0.00 55.95 57.10 1h2o s SER 11 Cb 0.03 0.62 0.21 0.00 -1.71 0.00 0.00 66.02 65.18 1h2o s SER 11 CO 0.19 -1.05 1.40 -0.33 1.20 0.00 0.00 173.24 174.65 1h2o h GLU 12 N 2.01 0.00 -7.07 5.44 5.08 -1.93 1.06 114.58 119.18 1h2o h GLU 12 Ca -0.31 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.58 1h2o h GLU 12 Cb 1.30 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.58 1h2o h GLU 12 CO 0.35 0.02 0.40 0.42 -1.00 0.00 0.00 179.01 179.20 1h2o s ILE 13 N -3.25 3.67 0.38 3.13 1.09 -1.26 -4.60 121.20 120.36 1h2o s ILE 13 Ca 0.04 1.06 -0.27 0.00 -1.10 0.00 0.00 60.65 60.39 1h2o s ILE 13 Cb 0.07 -3.44 -0.09 0.00 -1.06 0.00 0.00 42.46 37.94 1h2o s ILE 13 CO 0.71 -0.21 1.26 -2.16 -0.10 0.00 0.00 174.94 174.45 1h2o s PRO 14 N -3.18 4.11 0.26 2.79 0.04 -1.26 -4.16 135.00 133.60 1h2o s PRO 14 Ca 0.67 2.08 0.08 0.00 0.04 0.00 0.00 61.00 63.87 1h2o s PRO 14 Cb -0.18 -2.83 0.30 0.00 0.04 0.00 0.00 34.50 31.83 1h2o s PRO 14 CO 0.22 -0.34 1.58 -1.00 0.04 0.00 0.00 177.00 177.50 1h2o h PRO 15 N 2.89 0.08 0.00 0.56 0.13 -1.94 -2.77 132.00 130.95 1h2o h PRO 15 Ca -0.49 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.54 1h2o h PRO 15 Cb 1.24 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1h2o h PRO 15 CO 0.63 0.68 -0.20 -1.00 -0.23 0.00 0.00 178.00 177.89 1h2o h PRO 16 N 0.06 0.00 0.14 1.56 0.13 -1.96 0.35 132.00 132.28 1h2o h PRO 16 Ca -0.01 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.90 1h2o h PRO 16 Cb 1.12 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.26 1h2o h PRO 16 CO 0.09 0.20 -1.06 0.00 -0.23 0.00 0.00 178.00 176.99 1h2o h ARG 17 N 0.00 0.29 -0.04 0.86 3.08 -1.91 -2.79 114.38 113.87 1h2o h ARG 17 Ca -0.00 -0.49 -0.12 0.00 0.07 0.00 0.00 59.98 59.43 1h2o h ARG 17 Cb 0.67 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 1h2o h ARG 17 CO 0.03 1.24 -0.54 1.25 -1.07 0.00 0.00 179.97 180.87 1h2o h LEU 18 N -0.33 0.14 0.73 3.04 7.12 -1.38 -2.65 115.31 121.98 1h2o h LEU 18 Ca -0.21 -0.07 -0.04 0.00 0.13 0.00 0.00 57.88 57.70 1h2o h LEU 18 Cb 1.71 -0.04 0.01 0.00 -0.53 0.00 0.00 40.66 41.80 1h2o h LEU 18 CO 0.12 0.65 -0.35 0.15 -0.13 0.00 0.00 178.44 178.88 1h2o h PHE 19 N 0.10 -0.91 -0.94 1.25 3.57 -0.37 0.35 116.94 119.99 1h2o h PHE 19 Ca -0.00 -0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.67 1h2o h PHE 19 Cb 0.98 0.30 -0.11 0.00 2.79 0.00 0.00 35.95 39.91 1h2o h PHE 19 CO 0.01 -0.55 0.52 0.87 -2.23 0.00 0.00 178.31 176.93 1h2o h LYS 20 N -1.17 0.60 -0.21 1.11 1.57 -1.50 0.65 116.57 117.61 1h2o h LYS 20 Ca -0.10 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.49 1h2o h LYS 20 Cb 0.78 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1h2o h LYS 20 CO 0.17 0.39 -0.49 0.00 -0.57 0.00 0.00 179.45 178.95 1h2o h ALA 21 N 1.65 0.75 0.20 3.86 0.00 -1.23 1.83 119.26 126.32 1h2o h ALA 21 Ca 0.56 -0.48 -0.32 0.00 0.00 0.00 0.00 54.91 54.67 1h2o h ALA 21 Cb 0.94 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 18.67 1h2o h ALA 21 CO -0.43 0.67 -1.37 0.35 0.00 0.00 0.00 179.25 178.48 1h2o h PHE 22 N 0.45 0.99 0.00 0.00 3.57 0.23 0.15 116.94 122.33 1h2o h PHE 22 Ca 0.02 -0.68 -0.20 0.00 3.53 0.00 0.00 57.97 60.64 1h2o h PHE 22 Cb 1.02 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.68 1h2o h PHE 22 CO 0.04 1.52 -1.56 0.28 -2.23 0.00 0.00 178.31 176.36 1h2o n VAL 23 N -3.77 1.34 1.86 1.41 0.31 0.20 -3.50 118.33 116.18 1h2o n VAL 23 Ca -0.16 -0.07 0.16 0.00 -0.01 0.00 0.00 64.34 64.26 1h2o n VAL 23 Cb 1.05 -2.00 0.90 0.00 -0.91 0.00 0.00 33.84 32.88 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 -4.14 0.00 -0.22 7.52 4.32 0.56 -3.82 117.00 121.21 1h2o n LEU 24 Ca -0.29 0.07 0.00 0.00 -0.02 0.00 0.00 56.01 55.77 1h2o n LEU 24 Cb 0.63 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 1h2o n LEU 24 CO 0.10 0.00 0.21 0.47 -1.22 0.00 0.00 177.39 176.94 1h2o n ASP 25 N -1.07 0.00 0.22 -1.43 9.92 0.59 -4.86 116.55 119.92 1h2o n ASP 25 Ca 0.22 -1.30 0.15 0.00 -0.53 0.00 0.00 54.79 53.32 1h2o n ASP 25 Cb 0.14 -0.06 0.78 0.00 -0.64 0.00 0.00 41.12 41.34 1h2o n ASP 25 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1h2o h ALA 26 N 0.00 1.00 0.00 2.24 0.00 -0.74 0.85 119.26 122.61 1h2o h ALA 26 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1h2o h ALA 26 Cb 1.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1h2o h ALA 26 CO 0.00 0.00 -0.11 -0.44 0.00 0.00 0.00 179.25 178.70 1h2o h ASP 27 N 0.00 0.00 0.00 0.00 3.32 -1.87 -3.26 116.42 114.62 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 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1h2o h ASP 27 CO 0.00 0.11 0.00 -0.46 -1.72 0.00 0.00 179.24 177.17 1h2o n ASN 28 N -3.26 0.52 -0.02 6.45 0.23 -0.48 -4.41 115.26 114.29 1h2o n ASN 28 Ca 0.00 -1.13 -0.20 0.00 -0.53 0.00 0.00 54.58 52.72 1h2o n ASN 28 Cb 0.37 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.93 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 -0.06 2.60 0.06 -4.53 -0.00 0.17 -3.72 117.00 111.52 1h2o n LEU 29 Ca 0.00 0.15 -0.21 0.00 -0.00 0.00 0.00 56.01 55.95 1h2o n LEU 29 Cb 0.23 -1.00 -0.12 0.00 -0.00 0.00 0.00 43.42 42.53 1h2o n LEU 29 CO 0.00 0.85 0.02 0.58 -0.00 0.00 0.00 177.39 178.84 1h2o h VAL 30 N 0.05 1.31 0.00 1.96 2.07 -1.80 -1.50 116.25 118.34 1h2o h VAL 30 Ca -0.45 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 64.72 1h2o h VAL 30 Cb 2.01 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 34.39 1h2o h VAL 30 CO 0.05 0.71 0.00 -0.81 0.02 0.00 0.00 177.57 177.55 1h2o n PRO 31 N -3.88 0.89 0.00 1.57 -0.04 -1.26 -1.69 135.00 130.59 1h2o n PRO 31 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1h2o n PRO 31 Cb 0.91 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.26 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 -0.61 0.66 0.14 0.54 4.81 -1.19 -4.40 118.16 118.12 1h2o n LYS 32 Ca 0.05 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.25 1h2o n LYS 32 Cb 0.02 -0.96 -0.16 0.00 0.02 0.00 0.00 35.03 33.95 1h2o n LYS 32 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1h2o h ILE 33 N 0.00 1.31 -2.44 3.15 2.04 -1.30 -3.40 117.51 116.86 1h2o h ILE 33 Ca 0.00 -2.76 -0.59 0.00 1.00 0.00 0.00 64.86 62.51 1h2o h ILE 33 Cb 0.93 3.02 -0.38 0.00 -0.74 0.00 0.00 36.82 39.64 1h2o h ILE 33 CO 0.00 0.83 -0.93 0.00 0.00 0.00 0.00 178.15 178.04 1h2o s ALA 34 N -2.61 1.67 -2.00 1.87 0.00 -0.68 -4.93 121.76 115.08 1h2o s ALA 34 Ca -0.08 -2.61 0.19 0.00 0.00 0.00 0.00 51.96 49.45 1h2o s ALA 34 Cb 0.05 -1.66 1.11 0.00 0.00 0.00 0.00 23.12 22.62 1h2o s ALA 34 CO 0.94 -1.98 1.52 -0.35 0.00 0.00 0.00 175.76 175.89 1h2o n PRO 35 N 2.74 0.66 0.10 0.00 -0.04 -1.25 -2.63 135.00 134.57 1h2o n PRO 35 Ca 0.29 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.87 1h2o n PRO 35 Cb 0.47 -1.44 0.11 0.00 -0.04 0.00 0.00 33.50 32.59 1h2o n PRO 35 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1h2o h GLN 36 N 0.00 0.00 0.00 0.54 4.20 -1.92 -3.40 115.11 114.54 1h2o h GLN 36 Ca 0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 1h2o h GLN 36 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1h2o h GLN 36 CO 0.00 0.00 -1.48 0.00 -0.67 0.00 0.00 178.83 176.68 1h2o n ALA 37 N -1.99 1.11 -2.70 3.87 0.00 -1.08 -4.34 120.51 115.38 1h2o n ALA 37 Ca 0.02 -0.87 -0.32 0.00 0.00 0.00 0.00 53.44 52.27 1h2o n ALA 37 Cb 0.49 0.09 -0.08 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.72 4.23 -0.03 0.00 1.09 -1.22 -3.18 121.20 119.37 1h2o s ILE 38 Ca -0.31 -0.62 0.08 0.00 -1.10 0.00 0.00 60.65 58.70 1h2o s ILE 38 Cb 0.07 -2.91 -0.11 0.00 -1.06 0.00 0.00 42.46 38.45 1h2o s ILE 38 CO 0.42 0.34 0.13 1.17 -0.10 0.00 0.00 174.94 176.90 1h2o n LYS 39 N 1.25 1.12 -3.47 2.79 4.81 0.22 -4.47 118.16 120.41 1h2o n LYS 39 Ca -0.14 -0.05 -0.11 0.00 -0.87 0.00 0.00 58.31 57.14 1h2o n LYS 39 Cb 0.53 -1.19 -0.03 0.00 0.02 0.00 0.00 35.03 34.36 1h2o n LYS 39 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1h2o s HIS 40 N -2.43 -0.48 -0.04 5.64 5.04 -1.23 -4.98 115.29 116.81 1h2o s HIS 40 Ca -0.03 0.40 -0.02 0.00 -1.54 0.00 0.00 55.06 53.87 1h2o s HIS 40 Cb 0.04 0.53 0.03 0.00 0.04 0.00 0.00 32.58 33.22 1h2o s HIS 40 CO 0.33 -0.68 0.07 -1.12 -2.34 0.00 0.00 174.74 171.00 1h2o s SER 41 N -2.37 0.58 -0.20 9.88 0.01 -1.26 -0.91 113.70 119.43 1h2o s SER 41 Ca 0.01 0.13 -0.04 0.00 1.31 0.00 0.00 55.95 57.36 1h2o s SER 41 Cb -0.01 -0.02 0.07 0.00 0.21 0.00 0.00 66.02 66.27 1h2o s SER 41 CO -0.08 -0.20 0.08 -0.70 0.41 0.00 0.00 173.24 172.75 1h2o s GLU 42 N 1.71 0.33 0.18 12.44 2.12 -1.18 -4.94 118.70 129.36 1h2o s GLU 42 Ca -0.02 -0.32 -0.33 0.00 0.36 0.00 0.00 54.97 54.67 1h2o s GLU 42 Cb -0.12 -1.86 -0.14 0.00 0.26 0.00 0.00 34.13 32.27 1h2o s GLU 42 CO -0.04 -0.72 1.51 -0.89 -0.54 0.00 0.00 175.26 174.59 1h2o n ILE 43 N 5.17 0.29 -0.09 -3.70 5.41 -1.26 -2.47 119.36 122.71 1h2o n ILE 43 Ca -0.07 -0.07 -0.14 0.00 1.00 0.00 0.00 62.75 63.46 1h2o n ILE 43 Cb 0.47 -1.48 -0.14 0.00 -0.71 0.00 0.00 39.64 37.78 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 2.99 1.52 -4.44 1.39 4.77 0.73 -4.86 117.00 119.10 1h2o n LEU 44 Ca 0.15 0.03 -0.22 0.00 -0.03 0.00 0.00 56.01 55.94 1h2o n LEU 44 Cb 0.29 -0.26 -0.10 0.00 -2.33 0.00 0.00 43.42 41.02 1h2o n LEU 44 CO 0.63 0.69 -0.43 0.26 -1.33 0.00 0.00 177.39 177.21 1h2o s TRP 45 N -2.52 2.07 0.00 -1.77 0.52 -0.61 -4.84 118.94 111.79 1h2o s TRP 45 Ca -0.20 -0.50 0.00 0.00 0.02 0.00 0.00 56.10 55.42 1h2o s TRP 45 Cb 0.07 -1.02 0.00 0.00 -1.15 0.00 0.00 33.47 31.37 1h2o s TRP 45 CO 0.74 0.51 0.00 0.41 0.02 0.00 0.00 176.95 178.62 1h2o n GLY 46 N -0.57 2.09 0.51 0.98 0.00 -1.26 -3.13 105.19 103.80 1h2o n GLY 46 Ca -0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.04 -0.01 0.00 1.61 8.00 -1.26 -4.94 116.55 119.91 1h2o n ASP 47 Ca 0.00 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.37 1h2o n ASP 47 Cb 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1h2o n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h2o n GLY 48 N 0.00 1.56 2.03 0.44 0.00 -1.26 -5.10 105.19 102.85 1h2o n GLY 48 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.16 3.71 -0.02 0.00 -1.26 -4.84 105.19 99.61 1h2o n GLY 49 Ca 0.00 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 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 -4.39 4.39 0.00 1.61 0.04 -1.26 -2.62 135.00 132.76 1h2o s PRO 50 Ca 0.42 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1h2o s PRO 50 Cb -0.05 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1h2o s PRO 50 CO 0.33 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.43 1h2o n GLY 51 N 3.33 1.56 3.70 0.56 0.00 0.09 -4.97 105.19 109.46 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 -2.36 2.63 -0.09 2.61 2.01 -1.08 -4.72 115.64 114.64 1h2o s THR 52 Ca 0.00 0.21 -0.00 0.00 0.31 0.00 0.00 61.69 62.20 1h2o s THR 52 Cb 0.00 -2.60 0.02 0.00 0.01 0.00 0.00 72.50 69.94 1h2o s THR 52 CO 0.00 -0.27 -0.05 -0.63 -0.69 0.00 0.00 174.62 172.98 1h2o s ILE 53 N -2.85 0.77 -0.12 1.82 1.01 -1.18 -0.81 121.20 119.83 1h2o s ILE 53 Ca 0.64 -0.15 -0.04 0.00 0.00 0.00 0.00 60.65 61.10 1h2o s ILE 53 Cb -0.19 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 1h2o s ILE 53 CO 0.58 0.32 0.02 -0.54 0.00 0.00 0.00 174.94 175.31 1h2o s LYS 54 N 1.65 3.38 -0.77 2.79 1.02 0.49 0.26 119.74 128.56 1h2o s LYS 54 Ca 0.02 -0.39 -0.10 0.00 0.02 0.00 0.00 55.97 55.53 1h2o s LYS 54 Cb -0.13 -2.94 0.20 0.00 -0.52 0.00 0.00 37.83 34.44 1h2o s LYS 54 CO -0.06 0.53 0.66 0.21 -0.92 0.00 0.00 175.35 175.77 1h2o s LYS 55 N -0.38 3.25 0.21 1.68 2.20 -1.03 0.13 119.74 125.80 1h2o s LYS 55 Ca 0.08 -2.54 -0.30 0.00 -0.36 0.00 0.00 55.97 52.85 1h2o s LYS 55 Cb -0.12 -4.17 -0.08 0.00 -1.51 0.00 0.00 37.83 31.94 1h2o s LYS 55 CO 0.02 -1.25 0.95 0.42 -0.36 0.00 0.00 175.35 175.13 1h2o s ILE 56 N -0.01 4.17 0.16 5.43 1.01 -0.45 -3.11 121.20 128.40 1h2o s ILE 56 Ca 0.18 2.08 0.10 0.00 0.00 0.00 0.00 60.65 63.00 1h2o s ILE 56 Cb -0.14 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 1h2o s ILE 56 CO -0.07 0.45 -0.16 0.42 0.00 0.00 0.00 174.94 175.58 1h2o s THR 57 N -0.89 2.86 0.41 2.92 -4.23 -0.09 0.51 115.64 117.13 1h2o s THR 57 Ca 0.42 -1.71 0.07 0.00 -1.18 0.00 0.00 61.69 59.30 1h2o s THR 57 Cb -0.25 -2.37 -0.06 0.00 1.34 0.00 0.00 72.50 71.16 1h2o s THR 57 CO 0.32 -0.04 0.14 -0.36 -0.54 0.00 0.00 174.62 174.13 1h2o s PHE 58 N -1.51 2.59 -0.04 3.99 0.08 0.73 0.73 117.98 124.55 1h2o s PHE 58 Ca 0.22 -0.60 0.23 0.00 0.12 0.00 0.00 56.93 56.89 1h2o s PHE 58 Cb -0.09 -1.91 0.43 0.00 -0.57 0.00 0.00 43.02 40.88 1h2o s PHE 58 CO 0.12 0.25 1.18 0.41 -0.10 0.00 0.00 175.22 177.08 1h2o n GLY 59 N -1.17 1.82 0.36 4.36 0.00 -1.19 -4.38 105.19 104.98 1h2o n GLY 59 Ca -0.02 -0.94 0.18 0.00 0.00 0.00 0.00 46.02 45.25 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 0.99 0.00 0.00 1.61 5.08 -1.82 -3.45 114.58 116.99 1h2o h GLU 60 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1h2o h GLU 60 Cb 1.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.97 1h2o h GLU 60 CO 0.08 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.50 1h2o n GLY 61 N -1.36 0.82 0.17 -3.84 0.00 -1.26 -5.02 105.19 94.69 1h2o n GLY 61 Ca 0.03 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 1h2o n GLY 61 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1h2o h SER 62 N 0.00 0.47 -1.82 1.61 4.64 -1.99 -3.44 113.55 113.03 1h2o h SER 62 Ca 0.00 -0.23 -0.66 0.00 -0.47 0.00 0.00 61.79 60.43 1h2o h SER 62 Cb 0.00 -0.12 0.08 0.00 -0.31 0.00 0.00 62.40 62.05 1h2o h SER 62 CO 0.00 0.58 0.13 0.00 -0.87 0.00 0.00 176.83 176.67 1h2o n GLN 63 N -4.66 0.95 -2.14 4.77 6.02 -1.26 -4.82 117.38 116.23 1h2o n GLN 63 Ca -0.02 0.34 -0.42 0.00 -0.01 0.00 0.00 57.00 56.88 1h2o n GLN 63 Cb 0.19 -1.75 -0.03 0.00 1.02 0.00 0.00 30.24 29.67 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 -0.39 2.45 -0.32 1.08 5.04 -1.26 -4.85 117.35 119.10 1h2o s TYR 64 Ca 0.72 0.55 0.00 0.00 -2.44 0.00 0.00 57.07 55.90 1h2o s TYR 64 Cb -0.88 -3.77 0.10 0.00 0.35 0.00 0.00 41.96 37.77 1h2o s TYR 64 CO 0.54 -3.02 0.09 0.20 -1.34 0.00 0.00 175.55 172.02 1h2o s GLY 65 N 2.55 1.25 0.22 8.97 0.00 -1.26 -5.04 107.32 114.01 1h2o s GLY 65 Ca 0.67 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1h2o s GLY 65 CO 0.26 1.48 0.17 -2.52 0.00 0.00 0.00 173.10 172.49 1h2o s TYR 66 N 1.47 1.25 0.26 1.90 -0.85 -1.26 0.26 117.35 120.37 1h2o s TYR 66 Ca 0.10 -1.41 0.01 0.00 -0.52 0.00 0.00 57.07 55.25 1h2o s TYR 66 Cb -0.18 -0.57 -0.03 0.00 0.38 0.00 0.00 41.96 41.56 1h2o s TYR 66 CO -0.22 -0.69 0.22 0.14 -1.52 0.00 0.00 175.55 173.48 1h2o s VAL 67 N -4.02 0.00 -0.11 -3.49 -7.23 0.18 -4.18 120.40 101.55 1h2o s VAL 67 Ca 0.39 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.64 1h2o s VAL 67 Cb 0.06 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.52 1h2o s VAL 67 CO 0.15 0.00 -0.19 -0.54 -0.31 0.00 0.00 175.10 174.21 1h2o s LYS 68 N -3.83 2.54 -0.16 4.82 1.02 -1.24 -1.34 119.74 121.55 1h2o s LYS 68 Ca 0.38 -0.69 -0.01 0.00 0.02 0.00 0.00 55.97 55.67 1h2o s LYS 68 Cb 0.05 -2.04 -0.01 0.00 -0.52 0.00 0.00 37.83 35.30 1h2o s LYS 68 CO 0.18 0.03 -0.11 -1.01 -0.92 0.00 0.00 175.35 173.52 1h2o s HIS 69 N 0.72 2.86 -0.42 3.18 3.76 0.34 -1.95 115.29 123.79 1h2o s HIS 69 Ca -0.11 -0.78 -0.11 0.00 -0.15 0.00 0.00 55.06 53.90 1h2o s HIS 69 Cb -0.16 -1.93 0.06 0.00 1.11 0.00 0.00 32.58 31.67 1h2o s HIS 69 CO 0.02 -0.34 0.28 0.21 -0.85 0.00 0.00 174.74 174.06 1h2o s LYS 70 N 0.73 2.77 0.21 1.40 2.20 0.45 0.18 119.74 127.68 1h2o s LYS 70 Ca -0.05 -1.31 -0.31 0.00 -0.36 0.00 0.00 55.97 53.94 1h2o s LYS 70 Cb -0.15 -3.86 -0.15 0.00 -1.51 0.00 0.00 37.83 32.16 1h2o s LYS 70 CO 0.02 -0.89 1.16 -0.89 -0.36 0.00 0.00 175.35 174.38 1h2o n ILE 71 N 5.02 1.20 -0.05 5.43 2.08 0.01 0.18 119.36 133.23 1h2o n ILE 71 Ca -0.11 -0.30 -0.07 0.00 0.56 0.00 0.00 62.75 62.82 1h2o n ILE 71 Cb 0.44 -0.98 -0.05 0.00 -0.75 0.00 0.00 39.64 38.30 1h2o n ILE 71 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1h2o n ASP 72 N 1.82 3.16 -3.53 4.38 2.03 0.67 -0.73 116.55 124.36 1h2o n ASP 72 Ca 0.13 -0.06 -0.08 0.00 0.52 0.00 0.00 54.79 55.31 1h2o n ASP 72 Cb 0.28 -0.16 -0.02 0.00 -0.72 0.00 0.00 41.12 40.50 1h2o n ASP 72 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1h2o s SER 73 N -5.02 -0.32 0.04 1.67 1.04 0.24 -4.74 113.70 106.60 1h2o s SER 73 Ca -0.14 -0.02 -0.10 0.00 0.48 0.00 0.00 55.95 56.17 1h2o s SER 73 Cb 0.04 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.52 1h2o s SER 73 CO 0.25 -0.57 0.22 -0.63 0.98 0.00 0.00 173.24 173.49 1h2o s ILE 74 N -3.02 0.10 -0.47 -1.02 1.01 -1.26 -0.32 121.20 116.22 1h2o s ILE 74 Ca 0.06 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 59.91 1h2o s ILE 74 Cb -0.01 -0.92 0.18 0.00 0.01 0.00 0.00 42.46 41.71 1h2o s ILE 74 CO -0.08 -0.46 0.39 0.47 0.00 0.00 0.00 174.94 175.26 1h2o n ASP 75 N 0.65 0.33 0.09 3.58 9.92 0.49 -4.91 116.55 126.70 1h2o n ASP 75 Ca -0.19 -2.58 0.08 0.00 -0.53 0.00 0.00 54.79 51.57 1h2o n ASP 75 Cb 0.59 -0.60 0.37 0.00 -0.64 0.00 0.00 41.12 40.84 1h2o n ASP 75 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1h2o n LYS 76 N 2.52 0.09 -0.07 -1.24 5.02 -1.26 0.27 118.16 123.50 1h2o n LYS 76 Ca 0.27 0.51 -0.11 0.00 -2.02 0.00 0.00 58.31 56.97 1h2o n LYS 76 Cb 0.46 -1.76 -0.15 0.00 -0.02 0.00 0.00 35.03 33.56 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 -1.95 0.67 0.00 1.97 1.02 -1.26 -4.29 120.64 116.80 1h2o n GLU 77 Ca 0.00 0.14 0.08 0.00 -0.02 0.00 0.00 57.16 57.36 1h2o n GLU 77 Cb 0.08 -1.64 -0.02 0.00 -0.02 0.00 0.00 31.44 29.84 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 -2.97 1.40 -2.66 1.62 3.02 -0.66 -5.00 115.26 110.02 1h2o n ASN 78 Ca -0.28 -1.20 -0.12 0.00 -0.03 0.00 0.00 54.58 52.95 1h2o n ASN 78 Cb 1.09 0.59 0.06 0.00 -0.61 0.00 0.00 39.78 40.91 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 -0.40 -1.50 -4.38 3.10 4.01 0.78 -4.15 117.16 114.61 1h2o n TYR 79 Ca 0.06 0.64 -0.28 0.00 -0.16 0.00 0.00 57.90 58.15 1h2o n TYR 79 Cb 0.31 -4.10 -0.13 0.00 -0.31 0.00 0.00 39.34 35.11 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 -3.91 3.26 -0.01 7.72 0.01 -0.93 -0.55 113.70 119.30 1h2o s SER 80 Ca 0.01 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.52 1h2o s SER 80 Cb -0.00 -0.22 0.02 0.00 0.21 0.00 0.00 66.02 66.03 1h2o s SER 80 CO 0.50 0.17 0.01 -0.47 0.41 0.00 0.00 173.24 173.85 1h2o s TYR 81 N -1.12 0.13 -0.05 2.43 5.04 0.44 -0.38 117.35 123.85 1h2o s TYR 81 Ca 0.14 0.03 -0.02 0.00 -2.44 0.00 0.00 57.07 54.78 1h2o s TYR 81 Cb -0.10 -0.20 0.03 0.00 0.35 0.00 0.00 41.96 42.04 1h2o s TYR 81 CO 0.06 -0.06 0.08 -1.12 -1.34 0.00 0.00 175.55 173.17 1h2o s SER 82 N 0.59 1.05 0.23 4.32 0.01 0.56 0.19 113.70 120.66 1h2o s SER 82 Ca -0.05 0.12 0.01 0.00 1.31 0.00 0.00 55.95 57.34 1h2o s SER 82 Cb -0.08 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.04 1h2o s SER 82 CO -0.01 -0.25 0.13 -0.72 0.41 0.00 0.00 173.24 172.80 1h2o s TYR 83 N 2.17 1.35 -0.09 2.43 1.13 -0.15 0.24 117.35 124.43 1h2o s TYR 83 Ca 0.04 -1.34 0.04 0.00 -1.41 0.00 0.00 57.07 54.40 1h2o s TYR 83 Cb -0.12 -0.70 0.00 0.00 -1.10 0.00 0.00 41.96 40.05 1h2o s TYR 83 CO -0.03 -0.56 -0.22 0.99 -2.51 0.00 0.00 175.55 173.22 1h2o s THR 84 N -3.95 1.89 -0.06 -3.49 2.01 0.47 -0.11 115.64 112.39 1h2o s THR 84 Ca 0.38 -0.93 -0.13 0.00 0.31 0.00 0.00 61.69 61.33 1h2o s THR 84 Cb 0.07 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.89 1h2o s THR 84 CO 0.14 0.52 0.33 -0.22 -0.69 0.00 0.00 174.62 174.70 1h2o s LEU 85 N 0.32 4.41 0.00 4.42 2.96 0.08 0.17 118.68 131.04 1h2o s LEU 85 Ca -0.16 0.76 0.00 0.00 -0.22 0.00 0.00 54.13 54.51 1h2o s LEU 85 Cb -0.17 -2.43 0.00 0.00 0.50 0.00 0.00 46.19 44.09 1h2o s LEU 85 CO 0.07 0.29 0.00 2.30 -1.32 0.00 0.00 176.35 177.70 1h2o n ILE 86 N 2.24 0.00 -4.28 6.68 -5.35 -0.82 -1.02 119.36 116.81 1h2o n ILE 86 Ca -0.15 -0.24 -0.17 0.00 -0.27 0.00 0.00 62.75 61.92 1h2o n ILE 86 Cb 0.53 0.74 -0.10 0.00 -1.74 0.00 0.00 39.64 39.07 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 -1.47 1.14 0.00 6.28 2.12 -1.25 -4.91 118.70 120.61 1h2o s GLU 87 Ca 0.00 -1.44 0.00 0.00 0.36 0.00 0.00 54.97 53.89 1h2o s GLU 87 Cb 0.00 -0.86 0.00 0.00 0.26 0.00 0.00 34.13 33.53 1h2o s GLU 87 CO 0.00 0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.27 1h2o n GLY 88 N -0.07 2.66 0.35 -1.50 0.00 -1.26 -3.67 105.19 101.71 1h2o n GLY 88 Ca -0.11 0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.08 1h2o n GLY 88 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1h2o h ASP 89 N 0.00 0.00 1.20 1.61 3.58 -1.98 0.68 116.42 121.51 1h2o h ASP 89 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1h2o h ASP 89 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1h2o h ASP 89 CO 0.00 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.36 1h2o h ALA 90 N 1.09 1.00 0.00 -0.78 0.00 -1.96 -2.78 119.26 115.83 1h2o h ALA 90 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1h2o h ALA 90 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1h2o h ALA 90 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1h2o n LEU 91 N -2.89 0.00 0.00 0.00 4.77 0.24 -4.96 117.00 114.15 1h2o n LEU 91 Ca 0.02 0.39 0.01 0.00 -0.03 0.00 0.00 56.01 56.40 1h2o n LEU 91 Cb 0.35 -0.39 -0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1h2o n LEU 91 CO 0.27 -0.21 -0.02 0.61 -1.33 0.00 0.00 177.39 176.72 1h2o n GLY 92 N -0.09 -0.37 1.84 -0.72 0.00 -1.05 -1.37 105.19 103.43 1h2o n GLY 92 Ca 0.05 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.80 4.98 0.00 1.61 5.75 -1.26 -4.07 116.55 119.75 1h2o n ASP 93 Ca 0.00 -3.07 0.00 0.00 -0.01 0.00 0.00 54.79 51.71 1h2o n ASP 93 Cb 0.04 -0.86 0.00 0.00 -1.03 0.00 0.00 41.12 39.27 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 -0.20 0.00 -2.15 2.12 -2.24 -1.18 -4.99 114.28 105.64 1h2o n THR 94 Ca 0.36 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.82 1h2o n THR 94 Cb 0.91 -0.34 -0.01 0.00 -2.10 0.00 0.00 70.33 68.79 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 -4.13 3.44 0.00 3.22 2.01 -0.47 -0.77 118.68 121.99 1h2o s LEU 95 Ca 0.00 1.50 0.00 0.00 0.01 0.00 0.00 54.13 55.64 1h2o s LEU 95 Cb 0.00 -4.49 0.00 0.00 0.01 0.00 0.00 46.19 41.71 1h2o s LEU 95 CO 0.00 -0.73 0.00 -0.62 1.01 0.00 0.00 176.35 176.01 1h2o n GLU 96 N -2.13 0.00 -2.71 1.70 -0.58 -0.65 -4.74 120.64 111.53 1h2o n GLU 96 Ca 0.06 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.38 1h2o n GLU 96 Cb 0.54 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.38 1h2o n GLU 96 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1h2o s LYS 97 N 0.00 4.45 -0.05 3.49 1.02 -1.18 -4.62 119.74 122.86 1h2o s LYS 97 Ca 0.00 1.37 0.05 0.00 0.02 0.00 0.00 55.97 57.41 1h2o s LYS 97 Cb 0.00 -3.52 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 1h2o s LYS 97 CO 0.00 -0.25 -0.19 0.42 -0.92 0.00 0.00 175.35 174.41 1h2o s ILE 98 N 1.75 2.64 -0.13 2.17 -1.09 -0.19 -1.33 121.20 125.03 1h2o s ILE 98 Ca 0.49 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 58.03 1h2o s ILE 98 Cb -0.19 -2.00 -0.01 0.00 -1.58 0.00 0.00 42.46 38.68 1h2o s ILE 98 CO 0.20 0.58 -0.14 -0.44 -1.23 0.00 0.00 174.94 173.91 1h2o s SER 99 N -0.57 3.91 -0.05 3.58 0.01 -0.95 -0.74 113.70 118.89 1h2o s SER 99 Ca 0.08 -0.35 0.04 0.00 1.31 0.00 0.00 55.95 57.03 1h2o s SER 99 Cb -0.11 -1.58 -0.00 0.00 0.21 0.00 0.00 66.02 64.54 1h2o s SER 99 CO 0.01 0.17 -0.18 -0.31 0.41 0.00 0.00 173.24 173.34 1h2o s TYR 100 N 0.33 1.81 -0.02 2.43 2.02 0.84 0.08 117.35 124.85 1h2o s TYR 100 Ca -0.12 -0.57 0.01 0.00 -0.37 0.00 0.00 57.07 56.03 1h2o s TYR 100 Cb -0.16 -1.23 0.01 0.00 -0.40 0.00 0.00 41.96 40.18 1h2o s TYR 100 CO 0.06 -0.21 -0.03 -2.00 -1.57 0.00 0.00 175.55 171.80 1h2o s GLU 101 N 0.14 0.41 -0.01 -0.62 2.12 0.85 -0.98 118.70 120.62 1h2o s GLU 101 Ca -0.07 -0.10 0.01 0.00 0.36 0.00 0.00 54.97 55.18 1h2o s GLU 101 Cb -0.13 -0.45 0.00 0.00 0.26 0.00 0.00 34.13 33.82 1h2o s GLU 101 CO 0.03 0.02 -0.04 0.99 -0.54 0.00 0.00 175.26 175.72 1h2o s THR 102 N 0.30 0.32 0.02 -1.70 2.01 0.51 0.56 115.64 117.67 1h2o s THR 102 Ca -0.03 -0.14 0.02 0.00 0.31 0.00 0.00 61.69 61.85 1h2o s THR 102 Cb -0.06 -0.30 -0.02 0.00 0.01 0.00 0.00 72.50 72.13 1h2o s THR 102 CO -0.00 0.11 -0.07 -0.75 -0.69 0.00 0.00 174.62 173.21 1h2o s LYS 103 N 0.13 0.53 0.11 4.92 2.20 0.54 0.17 119.74 128.35 1h2o s LYS 103 Ca -0.01 -0.53 0.08 0.00 -0.36 0.00 0.00 55.97 55.14 1h2o s LYS 103 Cb -0.04 -0.41 -0.04 0.00 -1.51 0.00 0.00 37.83 35.83 1h2o s LYS 103 CO -0.00 0.09 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.39 1h2o s LEU 104 N -0.95 2.34 0.00 5.43 1.43 0.29 0.83 118.68 128.05 1h2o s LEU 104 Ca -0.04 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 1h2o s LEU 104 Cb -0.07 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.38 1h2o s LEU 104 CO 0.00 -0.01 0.00 0.52 0.23 0.00 0.00 176.35 177.09 1h2o n VAL 105 N 0.86 0.00 -4.39 -1.59 0.31 0.13 -4.60 118.33 109.05 1h2o n VAL 105 Ca -0.18 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 63.87 1h2o n VAL 105 Cb 0.55 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.35 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 -1.45 2.37 0.38 3.52 0.00 -1.26 -1.22 121.76 124.09 1h2o s ALA 106 Ca 0.00 -1.50 0.08 0.00 0.00 0.00 0.00 51.96 50.54 1h2o s ALA 106 Cb 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1h2o s ALA 106 CO 0.00 0.49 0.38 -1.54 0.00 0.00 0.00 175.76 175.10 1h2o s SER 107 N -2.21 5.30 0.17 0.00 1.04 0.44 -4.51 113.70 113.92 1h2o s SER 107 Ca 0.15 -0.57 0.23 0.00 0.48 0.00 0.00 55.95 56.24 1h2o s SER 107 Cb -0.09 -0.78 0.89 0.00 0.10 0.00 0.00 66.02 66.14 1h2o s SER 107 CO 0.07 -0.55 1.69 -0.81 0.98 0.00 0.00 173.24 174.62 1h2o n PRO 108 N -1.54 0.15 -0.43 4.02 -0.04 -1.26 -2.46 135.00 133.43 1h2o n PRO 108 Ca 0.02 0.31 0.09 0.00 -0.04 0.00 0.00 63.50 63.88 1h2o n PRO 108 Cb 0.60 -1.75 0.30 0.00 -0.04 0.00 0.00 33.50 32.62 1h2o n PRO 108 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1h2o n SER 109 N -2.02 3.82 0.00 3.54 7.64 -1.26 -4.91 113.62 120.43 1h2o n SER 109 Ca 0.03 -2.20 0.00 0.00 1.01 0.00 0.00 58.87 57.72 1h2o n SER 109 Cb 0.26 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1h2o n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h2o n GLY 110 N 1.27 2.66 1.62 0.23 0.00 -1.03 -5.01 105.19 104.93 1h2o n GLY 110 Ca 0.22 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.81 3.03 -0.02 0.00 -1.26 -4.60 105.19 98.53 1h2o n GLY 111 Ca 0.00 -1.27 -0.22 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.57 1.46 0.30 1.61 1.04 0.37 -0.42 113.70 115.49 1h2o s SER 112 Ca 0.34 -0.23 -0.11 0.00 0.48 0.00 0.00 55.95 56.43 1h2o s SER 112 Cb -0.06 -0.41 -0.07 0.00 0.10 0.00 0.00 66.02 65.57 1h2o s SER 112 CO 0.28 0.08 0.66 -0.63 0.98 0.00 0.00 173.24 174.61 1h2o s ILE 113 N 0.19 4.82 -0.14 -1.02 1.01 -0.36 0.07 121.20 125.77 1h2o s ILE 113 Ca -0.04 0.63 -0.01 0.00 0.00 0.00 0.00 60.65 61.23 1h2o s ILE 113 Cb -0.10 -3.65 0.04 0.00 0.01 0.00 0.00 42.46 38.76 1h2o s ILE 113 CO 0.01 -0.22 -0.03 -0.63 0.00 0.00 0.00 174.94 174.07 1h2o s ILE 114 N -2.00 0.83 -0.20 2.92 1.01 0.34 0.19 121.20 124.29 1h2o s ILE 114 Ca 0.50 -0.36 -0.05 0.00 0.00 0.00 0.00 60.65 60.74 1h2o s ILE 114 Cb -0.11 -1.02 -0.02 0.00 0.01 0.00 0.00 42.46 41.32 1h2o s ILE 114 CO 0.22 0.16 0.00 -0.75 0.00 0.00 0.00 174.94 174.58 1h2o s LYS 115 N 1.76 3.60 0.30 2.79 2.20 0.24 -1.52 119.74 129.12 1h2o s LYS 115 Ca 0.02 -0.52 0.11 0.00 -0.36 0.00 0.00 55.97 55.22 1h2o s LYS 115 Cb -0.14 -3.09 -0.06 0.00 -1.51 0.00 0.00 37.83 33.04 1h2o s LYS 115 CO -0.07 -0.01 -0.15 0.45 -0.36 0.00 0.00 175.35 175.20 1h2o s SER 116 N 1.06 3.57 -0.01 1.43 0.15 -0.94 0.20 113.70 119.17 1h2o s SER 116 Ca 0.02 -1.10 -0.29 0.00 0.70 0.00 0.00 55.95 55.28 1h2o s SER 116 Cb -0.14 -0.31 0.07 0.00 -1.71 0.00 0.00 66.02 63.93 1h2o s SER 116 CO 0.02 -0.07 0.66 -0.89 1.20 0.00 0.00 173.24 174.16 1h2o s THR 117 N -2.58 0.00 0.07 6.45 2.01 0.19 -0.43 115.64 121.34 1h2o s THR 117 Ca 0.31 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.20 1h2o s THR 117 Cb -0.02 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.50 1h2o s THR 117 CO 0.15 0.00 0.24 -0.44 -0.69 0.00 0.00 174.62 173.88 1h2o s SER 118 N -1.50 -0.01 0.09 3.53 0.01 0.75 -0.10 113.70 116.47 1h2o s SER 118 Ca -0.09 -0.41 -0.03 0.00 1.31 0.00 0.00 55.95 56.74 1h2o s SER 118 Cb -0.00 0.34 -0.03 0.00 0.21 0.00 0.00 66.02 66.54 1h2o s SER 118 CO 0.05 -0.66 0.05 -1.00 0.41 0.00 0.00 173.24 172.09 1h2o s HIS 119 N -3.12 0.57 0.11 2.43 3.76 0.11 -1.38 115.29 117.77 1h2o s HIS 119 Ca -0.01 -1.03 0.07 0.00 -0.15 0.00 0.00 55.06 53.94 1h2o s HIS 119 Cb 0.01 -0.35 -0.04 0.00 1.11 0.00 0.00 32.58 33.32 1h2o s HIS 119 CO -0.07 -0.47 -0.17 0.71 -0.85 0.00 0.00 174.74 173.89 1h2o s TYR 120 N -3.96 1.54 -0.42 1.40 1.51 -1.02 -2.23 117.35 114.18 1h2o s TYR 120 Ca 0.13 -0.48 0.02 0.00 -1.01 0.00 0.00 57.07 55.73 1h2o s TYR 120 Cb 0.07 -0.82 0.15 0.00 -0.11 0.00 0.00 41.96 41.25 1h2o s TYR 120 CO -0.06 0.17 0.27 -1.01 -1.11 0.00 0.00 175.55 173.82 1h2o s HIS 121 N -1.65 1.45 0.46 2.71 3.76 -0.45 -2.36 115.29 119.22 1h2o s HIS 121 Ca 0.07 -2.20 -0.23 0.00 -0.15 0.00 0.00 55.06 52.56 1h2o s HIS 121 Cb -0.08 -1.37 -0.08 0.00 1.11 0.00 0.00 32.58 32.16 1h2o s HIS 121 CO 0.04 -0.79 1.14 0.95 -0.85 0.00 0.00 174.74 175.23 1h2o s THR 122 N 0.38 3.23 -0.28 1.30 -4.23 -1.23 -1.64 115.64 113.18 1h2o s THR 122 Ca 0.22 0.91 -0.18 0.00 -1.18 0.00 0.00 61.69 61.46 1h2o s THR 122 Cb -0.15 -3.45 -0.02 0.00 1.34 0.00 0.00 72.50 70.21 1h2o s THR 122 CO -0.06 -0.03 0.50 -0.75 -0.54 0.00 0.00 174.62 173.75 1h2o s LYS 123 N -2.73 3.99 0.00 3.99 2.20 0.05 -4.83 119.74 122.41 1h2o s LYS 123 Ca 0.63 0.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.46 1h2o s LYS 123 Cb -0.27 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.37 1h2o s LYS 123 CO 0.32 -0.40 0.00 0.41 -0.36 0.00 0.00 175.35 175.33 1h2o n GLY 124 N 4.49 0.72 2.28 5.54 0.00 -1.26 -4.64 105.19 112.32 1h2o n GLY 124 Ca -0.05 -1.31 -0.20 0.00 0.00 0.00 0.00 46.02 44.47 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 1.19 -4.47 1.61 5.15 -1.26 -5.06 115.26 112.42 1h2o n ASN 125 Ca 0.00 -3.05 -0.31 0.00 -0.60 0.00 0.00 54.58 50.63 1h2o n ASN 125 Cb 0.00 -0.62 -0.07 0.00 -0.53 0.00 0.00 39.78 38.56 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 -2.48 0.84 0.05 3.44 -7.23 -1.26 -5.17 120.40 108.59 1h2o s VAL 126 Ca 0.40 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.56 1h2o s VAL 126 Cb 0.31 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 35.06 1h2o s VAL 126 CO -0.09 0.00 -0.01 -1.61 -0.31 0.00 0.00 175.10 173.08 1h2o s GLU 127 N -3.80 0.58 0.90 4.82 2.02 -1.26 -4.84 118.70 117.13 1h2o s GLU 127 Ca 0.11 -1.11 -0.14 0.00 0.02 0.00 0.00 54.97 53.85 1h2o s GLU 127 Cb 0.01 0.21 0.14 0.00 0.10 0.00 0.00 34.13 34.59 1h2o s GLU 127 CO 0.07 -0.11 1.21 0.42 0.02 0.00 0.00 175.26 176.87 1h2o s ILE 128 N -3.55 1.97 -0.18 -1.63 1.09 -1.26 -5.04 121.20 112.60 1h2o s ILE 128 Ca 0.03 0.00 -0.05 0.00 -1.10 0.00 0.00 60.65 59.53 1h2o s ILE 128 Cb 0.05 -2.91 -0.03 0.00 -1.06 0.00 0.00 42.46 38.51 1h2o s ILE 128 CO -0.09 0.00 0.01 -0.54 -0.10 0.00 0.00 174.94 174.22 1h2o s LYS 129 N -5.60 3.76 0.22 2.79 1.02 -1.26 -5.00 119.74 115.66 1h2o s LYS 129 Ca 0.67 -0.46 -0.18 0.00 0.02 0.00 0.00 55.97 56.02 1h2o s LYS 129 Cb -0.10 -3.08 0.22 0.00 -0.52 0.00 0.00 37.83 34.35 1h2o s LYS 129 CO 0.52 0.17 1.57 0.93 -0.92 0.00 0.00 175.35 177.62 1h2o h GLU 130 N 6.99 -0.06 -0.77 1.68 5.08 -1.97 1.66 114.58 127.18 1h2o h GLU 130 Ca -0.34 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.24 1h2o h GLU 130 Cb 1.18 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1h2o h GLU 130 CO 0.64 -0.04 0.79 1.49 -1.00 0.00 0.00 179.01 180.90 1h2o h GLU 131 N -0.07 0.00 0.00 2.33 4.81 -1.96 1.32 114.58 121.01 1h2o h GLU 131 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1h2o h GLU 131 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1h2o h GLU 131 CO -0.85 0.00 -0.20 1.25 -0.73 0.00 0.00 179.01 178.48 1h2o h HIS 132 N 0.00 0.00 -0.77 0.92 2.76 0.20 -2.80 115.15 115.46 1h2o h HIS 132 Ca 0.37 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.51 1h2o h HIS 132 Cb 1.95 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.88 1h2o h HIS 132 CO 0.00 0.00 0.37 -0.24 -1.30 0.00 0.00 177.93 176.76 1h2o h VAL 133 N -0.76 1.25 -0.41 5.26 3.04 -0.68 -1.13 116.25 122.82 1h2o h VAL 133 Ca 0.00 -0.69 -0.04 0.00 -1.01 0.00 0.00 66.70 64.96 1h2o h VAL 133 Cb 0.20 0.27 -0.02 0.00 -2.01 0.00 0.00 31.29 29.74 1h2o h VAL 133 CO 0.00 0.29 0.09 0.50 -1.01 0.00 0.00 177.57 177.44 1h2o h LYS 134 N 1.09 0.67 -0.21 4.17 3.64 0.15 -2.57 116.57 123.51 1h2o h LYS 134 Ca 0.27 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1h2o h LYS 134 Cb 0.12 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1h2o h LYS 134 CO -0.03 0.70 -0.07 0.00 -2.27 0.00 0.00 179.45 177.77 1h2o h ALA 135 N 0.95 1.49 -0.13 5.00 0.00 -1.20 -1.88 119.26 123.48 1h2o h ALA 135 Ca 0.13 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1h2o h ALA 135 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1h2o h ALA 135 CO 0.00 0.36 -0.17 0.78 0.00 0.00 0.00 179.25 180.22 1h2o h GLY 136 N 0.73 0.23 1.74 0.00 0.00 -0.82 -1.95 103.07 103.00 1h2o h GLY 136 Ca 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1h2o h GLY 136 CO 0.02 0.14 0.14 0.50 0.00 0.00 0.00 176.54 177.34 1h2o h LYS 137 N 0.20 0.35 0.07 4.80 1.57 -1.05 -0.21 116.57 122.30 1h2o h LYS 137 Ca 0.04 -0.03 -0.28 0.00 -1.87 0.00 0.00 60.65 58.52 1h2o h LYS 137 Cb 0.43 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1h2o h LYS 137 CO 0.03 0.26 -1.39 0.93 -0.57 0.00 0.00 179.45 178.71 1h2o h GLU 138 N 0.36 0.15 -0.23 3.15 5.08 -1.42 -1.37 114.58 120.30 1h2o h GLU 138 Ca 0.09 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.08 1h2o h GLU 138 Cb 0.01 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1h2o h GLU 138 CO -0.02 1.00 -0.36 0.87 -1.00 0.00 0.00 179.01 179.50 1h2o h LYS 139 N 0.04 0.50 0.16 2.33 1.57 -0.75 0.77 116.57 121.19 1h2o h LYS 139 Ca -0.18 -0.23 -0.34 0.00 -1.87 0.00 0.00 60.65 58.03 1h2o h LYS 139 Cb 1.95 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.26 1h2o h LYS 139 CO 0.15 0.79 -1.71 0.00 -0.57 0.00 0.00 179.45 178.11 1h2o h ALA 140 N 1.19 0.19 0.22 3.86 0.00 -1.15 -3.23 119.26 120.34 1h2o h ALA 140 Ca 0.04 -1.16 -0.01 0.00 0.00 0.00 0.00 54.91 53.78 1h2o h ALA 140 Cb 0.83 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1h2o h ALA 140 CO 0.07 1.01 -0.11 0.77 0.00 0.00 0.00 179.25 181.00 1h2o h SER 141 N 0.01 -0.25 -0.65 0.00 0.02 -1.26 -2.62 113.55 108.80 1h2o h SER 141 Ca -0.35 -0.24 0.14 0.00 -0.84 0.00 0.00 61.79 60.50 1h2o h SER 141 Cb 2.01 0.06 -0.11 0.00 0.14 0.00 0.00 62.40 64.51 1h2o h SER 141 CO 0.14 0.13 0.05 0.78 -1.14 0.00 0.00 176.83 176.80 1h2o h ASN 142 N -0.67 -0.19 -0.36 3.07 2.35 -1.02 -0.02 115.58 118.74 1h2o h ASN 142 Ca -0.03 0.15 0.05 0.00 -0.55 0.00 0.00 56.30 55.92 1h2o h ASN 142 Cb 0.47 0.25 -0.05 0.00 0.05 0.00 0.00 38.32 39.04 1h2o h ASN 142 CO 0.05 -0.09 0.07 0.25 -1.65 0.00 0.00 177.43 176.06 1h2o h LEU 143 N 0.16 0.01 -1.39 1.61 5.85 -1.56 -0.34 115.31 119.65 1h2o h LEU 143 Ca 0.35 0.06 0.17 0.00 0.84 0.00 0.00 57.88 59.29 1h2o h LEU 143 Cb 0.57 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.61 1h2o h LEU 143 CO -0.52 0.04 0.57 -0.26 -0.34 0.00 0.00 178.44 177.93 1h2o h PHE 144 N 0.20 0.69 0.00 1.25 0.04 -0.63 0.67 116.94 119.16 1h2o h PHE 144 Ca 0.17 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.96 1h2o h PHE 144 Cb 0.20 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.13 1h2o h PHE 144 CO -0.19 0.23 0.00 0.87 -0.60 0.00 0.00 178.31 178.62 1h2o h LYS 145 N 0.56 0.00 0.11 1.51 1.57 -0.43 -2.70 116.57 117.19 1h2o h LYS 145 Ca 0.45 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.92 1h2o h LYS 145 Cb 0.89 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1h2o h LYS 145 CO -0.19 0.00 -1.53 -0.07 -0.57 0.00 0.00 179.45 177.09 1h2o h LEU 146 N 0.00 0.38 -0.41 2.94 3.38 0.99 -3.30 115.31 119.29 1h2o h LEU 146 Ca 0.00 -0.53 -0.11 0.00 0.09 0.00 0.00 57.88 57.33 1h2o h LEU 146 Cb 0.60 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1h2o h LEU 146 CO 0.00 1.44 -0.19 0.40 0.09 0.00 0.00 178.44 180.18 1h2o h ILE 147 N 0.07 1.28 -0.96 1.22 2.04 -1.16 -2.38 117.51 117.61 1h2o h ILE 147 Ca -0.24 -1.32 0.24 0.00 1.00 0.00 0.00 64.86 64.53 1h2o h ILE 147 Cb 2.01 1.26 -0.12 0.00 -0.74 0.00 0.00 36.82 39.23 1h2o h ILE 147 CO 0.16 0.44 0.52 -0.33 0.00 0.00 0.00 178.15 178.94 1h2o h GLU 148 N 0.66 0.50 0.00 2.37 5.08 -1.58 1.35 114.58 122.96 1h2o h GLU 148 Ca 0.09 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1h2o h GLU 148 Cb 0.74 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1h2o h GLU 148 CO 0.06 0.33 -0.41 1.15 -1.00 0.00 0.00 179.01 179.14 1h2o h THR 149 N 0.52 0.97 0.10 1.13 2.02 -1.54 -1.22 112.91 114.88 1h2o h THR 149 Ca 0.61 -1.59 0.01 0.00 0.77 0.00 0.00 66.41 66.21 1h2o h THR 149 Cb 1.16 1.95 -0.02 0.00 -1.74 0.00 0.00 68.15 69.50 1h2o h THR 149 CO -0.49 0.40 -0.13 0.22 0.37 0.00 0.00 175.52 175.88 1h2o h TYR 150 N 0.00 -0.34 0.17 3.16 3.20 0.23 -0.91 116.97 122.48 1h2o h TYR 150 Ca -0.00 0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.58 1h2o h TYR 150 Cb 0.92 0.14 0.01 0.00 1.54 0.00 0.00 36.73 39.34 1h2o h TYR 150 CO 0.00 -0.20 -1.32 -0.07 -1.64 0.00 0.00 178.16 174.93 1h2o h LEU 151 N -0.27 0.55 -2.90 2.82 3.38 -1.44 0.48 115.31 117.93 1h2o h LEU 151 Ca 0.02 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1h2o h LEU 151 Cb 0.28 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1h2o h LEU 151 CO -0.06 1.46 0.00 0.50 0.09 0.00 0.00 178.44 180.43 1h2o h LYS 152 N 0.10 0.00 0.00 1.13 3.64 -1.11 -2.59 116.57 117.74 1h2o h LYS 152 Ca -0.17 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.04 1h2o h LYS 152 Cb 2.03 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.82 1h2o h LYS 152 CO 0.23 0.00 -1.63 0.41 -2.27 0.00 0.00 179.45 176.19 1h2o n GLY 153 N -1.09 -0.38 3.22 5.01 0.00 -0.36 -4.84 105.19 106.75 1h2o n GLY 153 Ca -0.03 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.22 3.54 -2.00 1.61 3.76 0.17 -4.89 115.29 115.26 1h2o s HIS 154 Ca -0.07 -2.19 0.13 0.00 -0.15 0.00 0.00 55.06 52.78 1h2o s HIS 154 Cb 0.03 -3.53 0.78 0.00 1.11 0.00 0.00 32.58 30.98 1h2o s HIS 154 CO 0.35 -0.94 1.26 -0.35 -0.85 0.00 0.00 174.74 174.21 1h2o n PRO 155 N 4.08 0.65 -0.00 8.40 -0.04 -1.25 -2.44 135.00 144.40 1h2o n PRO 155 Ca 0.05 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.54 1h2o n PRO 155 Cb 0.42 -1.32 -0.04 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.82 0.38 -4.39 3.54 8.00 -1.26 -4.72 116.55 117.29 1h2o n ASP 156 Ca 0.10 -0.63 -0.52 0.00 0.71 0.00 0.00 54.79 54.45 1h2o n ASP 156 Cb 0.05 1.01 -0.09 0.00 -0.02 0.00 0.00 41.12 42.06 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 -1.16 0.73 -2.20 2.24 0.00 -1.02 -1.34 120.51 117.76 1h2o n ALA 157 Ca 0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 1h2o n ALA 157 Cb 0.10 -2.40 -0.01 0.00 0.00 0.00 0.00 19.45 17.14 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 9.41 -1.49 -0.75 0.00 0.18 -1.26 -4.98 117.16 118.27 1h2o n TYR 158 Ca 0.48 0.04 0.00 0.00 1.88 0.00 0.00 57.90 60.30 1h2o n TYR 158 Cb 0.14 -0.83 0.00 0.00 -0.38 0.00 0.00 39.34 38.27 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07