#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 1.62 0.19 1.61 1.01 -1.26 -1.15 120.40 122.41 1h2o s VAL 2 Ca 0.00 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.17 1h2o s VAL 2 Cb 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1h2o s VAL 2 CO 0.00 0.46 0.22 -0.36 0.00 0.00 0.00 175.10 175.42 1h2o s PHE 3 N -0.31 3.29 -0.20 5.22 0.40 -0.01 -4.89 117.98 121.47 1h2o s PHE 3 Ca 0.04 0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.37 1h2o s PHE 3 Cb -0.09 -1.55 0.05 0.00 0.51 0.00 0.00 43.02 41.94 1h2o s PHE 3 CO 0.00 0.51 -0.06 0.99 0.70 0.00 0.00 175.22 177.36 1h2o s THR 4 N -1.85 1.40 0.03 0.64 2.01 -1.26 -2.00 115.64 114.62 1h2o s THR 4 Ca 0.33 -0.97 0.09 0.00 0.31 0.00 0.00 61.69 61.45 1h2o s THR 4 Cb -0.10 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 1h2o s THR 4 CO 0.26 0.03 -0.26 -0.31 -0.69 0.00 0.00 174.62 173.66 1h2o s TYR 5 N 1.48 2.26 0.02 4.92 2.02 -0.01 -5.00 117.35 123.04 1h2o s TYR 5 Ca -0.03 -0.41 -0.07 0.00 -0.37 0.00 0.00 57.07 56.19 1h2o s TYR 5 Cb -0.17 -1.37 -0.00 0.00 -0.40 0.00 0.00 41.96 40.02 1h2o s TYR 5 CO -0.07 0.10 0.13 -1.83 -1.57 0.00 0.00 175.55 172.30 1h2o s GLU 6 N -1.13 0.56 0.34 -0.62 -1.05 -1.26 0.28 118.70 115.82 1h2o s GLU 6 Ca 0.11 -0.58 0.04 0.00 -0.15 0.00 0.00 54.97 54.39 1h2o s GLU 6 Cb -0.10 0.23 -0.06 0.00 -0.44 0.00 0.00 34.13 33.76 1h2o s GLU 6 CO 0.02 -0.14 0.07 0.45 0.95 0.00 0.00 175.26 176.60 1h2o s SER 7 N -1.80 2.44 -0.24 0.83 0.15 0.09 -4.94 113.70 110.22 1h2o s SER 7 Ca -0.09 -1.42 -0.05 0.00 0.70 0.00 0.00 55.95 55.08 1h2o s SER 7 Cb -0.04 0.00 0.12 0.00 -1.71 0.00 0.00 66.02 64.39 1h2o s SER 7 CO -0.02 -0.65 0.47 -1.61 1.20 0.00 0.00 173.24 172.63 1h2o s GLU 8 N -3.87 0.40 0.17 5.44 2.02 -1.26 -2.20 118.70 119.40 1h2o s GLU 8 Ca 0.34 0.96 -0.01 0.00 0.02 0.00 0.00 54.97 56.29 1h2o s GLU 8 Cb 0.08 0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.54 1h2o s GLU 8 CO 0.15 -0.40 0.23 1.97 0.02 0.00 0.00 175.26 177.23 1h2o n PHE 9 N 5.40 -0.88 -4.21 1.61 -1.74 0.00 -4.99 117.46 112.65 1h2o n PHE 9 Ca -0.07 -1.15 -0.16 0.00 -0.56 0.00 0.00 57.45 55.51 1h2o n PHE 9 Cb 0.50 0.26 -0.08 0.00 1.52 0.00 0.00 39.48 41.68 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 -2.62 0.00 -0.25 1.97 -4.23 -1.26 0.15 115.64 109.40 1h2o s THR 10 Ca 0.14 -1.90 -0.12 0.00 -1.18 0.00 0.00 61.69 58.63 1h2o s THR 10 Cb -0.00 -2.51 0.09 0.00 1.34 0.00 0.00 72.50 71.42 1h2o s THR 10 CO 0.10 0.00 0.59 -0.94 -0.54 0.00 0.00 174.62 173.84 1h2o s SER 11 N -3.26 -0.83 0.41 3.99 1.04 0.54 -4.86 113.70 110.73 1h2o s SER 11 Ca 0.38 1.34 0.15 0.00 0.48 0.00 0.00 55.95 58.29 1h2o s SER 11 Cb 0.03 1.44 1.00 0.00 0.10 0.00 0.00 66.02 68.60 1h2o s SER 11 CO 0.20 -0.23 1.89 -0.33 0.98 0.00 0.00 173.24 175.76 1h2o h GLU 12 N 7.35 0.47 -7.11 4.02 5.08 -1.90 1.57 114.58 124.05 1h2o h GLU 12 Ca -0.28 -0.03 -0.53 0.00 -1.00 0.00 0.00 59.36 57.53 1h2o h GLU 12 Cb 1.18 -0.11 0.12 0.00 0.50 0.00 0.00 28.75 30.44 1h2o h GLU 12 CO 0.17 0.31 0.46 0.42 -1.00 0.00 0.00 179.01 179.37 1h2o s ILE 13 N -5.48 2.63 0.39 3.13 1.09 -1.26 -4.30 121.20 117.40 1h2o s ILE 13 Ca -0.08 0.37 -0.26 0.00 -1.10 0.00 0.00 60.65 59.58 1h2o s ILE 13 Cb 0.22 -3.10 -0.09 0.00 -1.06 0.00 0.00 42.46 38.43 1h2o s ILE 13 CO 0.78 -0.10 1.26 -2.16 -0.10 0.00 0.00 174.94 174.62 1h2o s PRO 14 N -3.44 4.04 0.25 2.79 0.04 -1.26 -3.89 135.00 133.54 1h2o s PRO 14 Ca 0.76 2.06 0.08 0.00 0.04 0.00 0.00 61.00 63.95 1h2o s PRO 14 Cb -0.30 -2.78 0.29 0.00 0.04 0.00 0.00 34.50 31.75 1h2o s PRO 14 CO 0.35 -0.40 1.57 -1.00 0.04 0.00 0.00 177.00 177.57 1h2o h PRO 15 N 2.76 0.09 0.00 0.56 0.13 -1.90 -2.77 132.00 130.87 1h2o h PRO 15 Ca -0.49 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.57 1h2o h PRO 15 Cb 1.24 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1h2o h PRO 15 CO 0.63 0.69 -0.03 -1.00 -0.23 0.00 0.00 178.00 178.06 1h2o h PRO 16 N 0.06 0.00 0.02 1.56 0.13 -1.95 0.41 132.00 132.24 1h2o h PRO 16 Ca -0.01 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.99 1h2o h PRO 16 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1h2o h PRO 16 CO 0.09 0.03 -0.72 0.00 -0.23 0.00 0.00 178.00 177.18 1h2o h ARG 17 N 0.00 0.04 0.00 0.86 3.08 -1.90 -2.73 114.38 113.73 1h2o h ARG 17 Ca -0.00 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 1h2o h ARG 17 Cb 0.53 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1h2o h ARG 17 CO 0.00 1.03 -0.33 1.25 -1.07 0.00 0.00 179.97 180.86 1h2o h LEU 18 N -0.89 0.00 0.51 3.04 6.46 -1.41 -2.48 115.31 120.54 1h2o h LEU 18 Ca -0.18 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.55 1h2o h LEU 18 Cb 1.24 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.18 1h2o h LEU 18 CO -0.07 0.33 -0.24 0.15 -0.62 0.00 0.00 178.44 177.98 1h2o h PHE 19 N 0.00 -0.63 -1.25 1.25 3.57 -0.26 0.44 116.94 120.05 1h2o h PHE 19 Ca -0.00 -0.01 0.36 0.00 3.53 0.00 0.00 57.97 61.84 1h2o h PHE 19 Cb 0.65 0.21 -0.08 0.00 2.79 0.00 0.00 35.95 39.52 1h2o h PHE 19 CO 0.00 -0.39 0.86 0.87 -2.23 0.00 0.00 178.31 177.41 1h2o h LYS 20 N -1.04 0.12 0.24 1.11 1.57 -1.45 0.45 116.57 117.56 1h2o h LYS 20 Ca -0.07 -0.01 -0.32 0.00 -1.87 0.00 0.00 60.65 58.38 1h2o h LYS 20 Cb 0.52 -0.03 0.04 0.00 0.08 0.00 0.00 32.23 32.84 1h2o h LYS 20 CO 0.11 0.08 -1.39 0.00 -0.57 0.00 0.00 179.45 177.68 1h2o h ALA 21 N 1.46 -0.15 -0.23 3.86 0.00 -1.22 0.75 119.26 123.72 1h2o h ALA 21 Ca 0.65 -0.83 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 1h2o h ALA 21 Cb 2.25 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 20.20 1h2o h ALA 21 CO -0.16 0.65 -0.39 0.35 0.00 0.00 0.00 179.25 179.71 1h2o h PHE 22 N 0.10 0.84 0.00 0.00 3.57 0.41 0.29 116.94 122.15 1h2o h PHE 22 Ca -0.24 -0.29 -0.31 0.00 3.53 0.00 0.00 57.97 60.65 1h2o h PHE 22 Cb 2.10 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 40.63 1h2o h PHE 22 CO 0.14 1.05 -2.01 0.28 -2.23 0.00 0.00 178.31 175.54 1h2o n VAL 23 N -4.22 1.25 2.00 1.41 0.31 0.73 -3.44 118.33 116.36 1h2o n VAL 23 Ca -0.05 -0.23 0.15 0.00 -0.01 0.00 0.00 64.34 64.20 1h2o n VAL 23 Cb 0.53 -1.86 0.91 0.00 -0.91 0.00 0.00 33.84 32.51 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 -4.03 0.01 -1.18 7.52 4.32 -0.30 -3.93 117.00 119.41 1h2o n LEU 24 Ca -0.39 -0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 55.56 1h2o n LEU 24 Cb 0.75 -0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.50 1h2o n LEU 24 CO 0.05 0.00 0.30 -0.67 -1.22 0.00 0.00 177.39 175.84 1h2o n ASP 25 N -0.97 -0.58 0.17 -1.43 -0.08 0.24 -4.83 116.55 109.08 1h2o n ASP 25 Ca 0.23 -2.01 0.02 0.00 -1.51 0.00 0.00 54.79 51.52 1h2o n ASP 25 Cb 0.11 0.18 0.30 0.00 2.34 0.00 0.00 41.12 44.05 1h2o n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1h2o h ALA 26 N 0.27 1.13 0.00 -1.67 0.00 -0.44 0.14 119.26 118.68 1h2o h ALA 26 Ca -0.49 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1h2o h ALA 26 Cb 1.51 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1h2o h ALA 26 CO -0.20 0.57 0.00 -0.25 0.00 0.00 0.00 179.25 179.36 1h2o n ASP 27 N -3.83 0.34 0.00 0.00 8.00 -1.26 -2.55 116.55 117.25 1h2o n ASP 27 Ca -0.01 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.08 1h2o n ASP 27 Cb 0.50 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 1h2o n ASP 27 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1h2o n ASN 28 N -1.89 0.85 -0.12 -2.24 3.02 -0.87 -4.63 115.26 109.38 1h2o n ASN 28 Ca 0.02 -1.40 -0.26 0.00 -0.03 0.00 0.00 54.58 52.92 1h2o n ASN 28 Cb 0.17 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.23 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 -0.20 1.90 0.13 3.41 7.99 0.42 -4.31 117.00 126.35 1h2o n LEU 29 Ca 0.00 0.38 0.00 0.00 -0.01 0.00 0.00 56.01 56.39 1h2o n LEU 29 Cb 0.36 -0.90 0.06 0.00 -0.11 0.00 0.00 43.42 42.83 1h2o n LEU 29 CO 0.00 0.41 0.43 1.62 -1.51 0.00 0.00 177.39 178.34 1h2o h VAL 30 N -1.00 1.14 0.00 4.08 3.04 -1.82 -1.69 116.25 120.00 1h2o h VAL 30 Ca -0.51 -2.40 0.00 0.00 -1.01 0.00 0.00 66.70 62.78 1h2o h VAL 30 Cb 1.45 2.42 0.00 0.00 -2.01 0.00 0.00 31.29 33.15 1h2o h VAL 30 CO -0.31 0.61 0.00 -0.81 -1.01 0.00 0.00 177.57 176.05 1h2o n PRO 31 N -3.36 0.91 0.00 4.17 -0.04 -1.26 -2.69 135.00 132.73 1h2o n PRO 31 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1h2o n PRO 31 Cb 0.74 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 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 -0.64 0.66 0.15 0.54 5.02 -1.20 -4.78 118.16 117.91 1h2o n LYS 32 Ca 0.06 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.10 1h2o n LYS 32 Cb 0.03 -0.62 -0.16 0.00 -0.02 0.00 0.00 35.03 34.26 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 1.28 -1.09 -0.18 2.04 -1.39 -3.44 117.51 114.73 1h2o h ILE 33 Ca 0.00 -2.70 -0.01 0.00 1.00 0.00 0.00 64.86 63.15 1h2o h ILE 33 Cb 0.23 3.05 -0.22 0.00 -0.74 0.00 0.00 36.82 39.15 1h2o h ILE 33 CO 0.00 0.81 -0.41 0.00 0.00 0.00 0.00 178.15 178.55 1h2o s ALA 34 N -2.60 -2.24 -2.00 1.87 0.00 -1.10 -4.99 121.76 110.71 1h2o s ALA 34 Ca -0.09 0.83 0.19 0.00 0.00 0.00 0.00 51.96 52.89 1h2o s ALA 34 Cb 0.04 -2.51 1.11 0.00 0.00 0.00 0.00 23.12 21.76 1h2o s ALA 34 CO 0.95 -1.88 1.56 -0.35 0.00 0.00 0.00 175.76 176.04 1h2o n PRO 35 N 5.27 0.75 0.07 0.00 -0.04 -1.24 -2.83 135.00 136.99 1h2o n PRO 35 Ca 0.05 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 1h2o n PRO 35 Cb 0.54 -1.38 0.13 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.01 0.54 4.20 -1.92 -3.36 115.11 114.59 1h2o h GLN 36 Ca 0.00 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.36 1h2o h GLN 36 Cb 0.00 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.72 1h2o h GLN 36 CO 0.00 0.00 -2.15 0.00 -0.67 0.00 0.00 178.83 176.01 1h2o n ALA 37 N -1.91 1.42 -3.48 3.87 0.00 -1.13 -4.51 120.51 114.76 1h2o n ALA 37 Ca 0.02 -1.04 -0.13 0.00 0.00 0.00 0.00 53.44 52.29 1h2o n ALA 37 Cb 0.47 -0.43 -0.13 0.00 0.00 0.00 0.00 19.45 19.36 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 -2.54 -0.03 -0.11 0.00 1.09 -1.25 -4.64 121.20 113.73 1h2o s ILE 38 Ca -0.14 0.10 0.14 0.00 -1.10 0.00 0.00 60.65 59.65 1h2o s ILE 38 Cb 0.07 -0.33 -0.03 0.00 -1.06 0.00 0.00 42.46 41.12 1h2o s ILE 38 CO 0.79 0.04 1.26 0.50 -0.10 0.00 0.00 174.94 177.42 1h2o h LYS 39 N 6.67 0.00 -1.42 2.79 3.64 0.20 -3.42 116.57 125.03 1h2o h LYS 39 Ca -0.35 0.00 0.24 0.00 -1.27 0.00 0.00 60.65 59.27 1h2o h LYS 39 Cb 1.17 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.78 1h2o h LYS 39 CO 0.38 0.52 0.81 -1.58 -2.27 0.00 0.00 179.45 177.32 1h2o s HIS 40 N -2.91 -0.13 -0.07 1.91 5.04 -1.22 -4.95 115.29 112.96 1h2o s HIS 40 Ca 0.02 0.12 -0.01 0.00 -1.54 0.00 0.00 55.06 53.65 1h2o s HIS 40 Cb 0.08 0.51 0.03 0.00 0.04 0.00 0.00 32.58 33.24 1h2o s HIS 40 CO 0.77 -0.19 -0.00 -1.12 -2.34 0.00 0.00 174.74 171.86 1h2o s SER 41 N -1.93 1.48 -0.15 9.88 0.01 -1.26 -0.42 113.70 121.31 1h2o s SER 41 Ca 0.08 -0.09 -0.04 0.00 1.31 0.00 0.00 55.95 57.22 1h2o s SER 41 Cb -0.01 -0.44 0.05 0.00 0.21 0.00 0.00 66.02 65.84 1h2o s SER 41 CO -0.05 -0.18 0.07 -0.70 0.41 0.00 0.00 173.24 172.80 1h2o s GLU 42 N 1.83 0.17 0.39 12.44 2.12 -1.21 -4.78 118.70 129.66 1h2o s GLU 42 Ca 0.03 -0.07 -0.25 0.00 0.36 0.00 0.00 54.97 55.04 1h2o s GLU 42 Cb -0.12 -1.66 -0.12 0.00 0.26 0.00 0.00 34.13 32.49 1h2o s GLU 42 CO -0.05 -0.60 0.91 -0.89 -0.54 0.00 0.00 175.26 174.09 1h2o n ILE 43 N 5.24 2.21 -0.00 -3.70 5.41 -1.26 -2.53 119.36 124.73 1h2o n ILE 43 Ca -0.07 -0.50 0.01 0.00 1.00 0.00 0.00 62.75 63.19 1h2o n ILE 43 Cb 0.49 -0.98 -0.03 0.00 -0.71 0.00 0.00 39.64 38.42 1h2o n ILE 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1h2o n LEU 44 N 0.84 0.00 -4.29 1.39 7.94 0.65 -4.81 117.00 118.72 1h2o n LEU 44 Ca 0.10 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.84 1h2o n LEU 44 Cb 0.37 0.01 -0.10 0.00 0.53 0.00 0.00 43.42 44.24 1h2o n LEU 44 CO 0.57 0.01 -0.36 0.26 -1.11 0.00 0.00 177.39 176.76 1h2o s TRP 45 N -2.21 1.43 0.00 1.96 0.52 -0.89 -4.83 118.94 114.91 1h2o s TRP 45 Ca -0.01 -0.86 0.00 0.00 0.02 0.00 0.00 56.10 55.25 1h2o s TRP 45 Cb 0.02 -0.79 0.00 0.00 -1.15 0.00 0.00 33.47 31.55 1h2o s TRP 45 CO 0.14 0.00 0.00 0.41 0.02 0.00 0.00 176.95 177.52 1h2o n GLY 46 N -0.32 2.17 0.46 0.98 0.00 -1.26 -3.41 105.19 103.80 1h2o n GLY 46 Ca -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.20 0.00 0.00 1.61 8.00 -1.26 -4.96 116.55 120.13 1h2o n ASP 47 Ca 0.00 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.30 1h2o n ASP 47 Cb 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 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 1.62 1.40 0.44 0.00 -1.26 -5.12 105.19 102.28 1h2o n GLY 48 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.94 3.71 -0.02 0.00 -1.26 -4.90 105.19 100.79 1h2o n GLY 49 Ca 0.00 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 -4.02 4.40 0.00 1.61 0.04 -1.26 -2.68 135.00 133.08 1h2o s PRO 50 Ca 0.28 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1h2o s PRO 50 Cb -0.02 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1h2o s PRO 50 CO 0.20 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.33 1h2o n GLY 51 N 3.30 1.77 3.70 0.56 0.00 0.17 -4.96 105.19 109.73 1h2o n GLY 51 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 2.35 -0.07 2.61 2.01 -1.09 -4.70 115.64 114.38 1h2o s THR 52 Ca 0.00 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.10 1h2o s THR 52 Cb 0.00 -2.61 0.03 0.00 0.01 0.00 0.00 72.50 69.93 1h2o s THR 52 CO 0.00 -0.15 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.14 1h2o s ILE 53 N -2.95 0.44 -0.18 1.82 1.01 -1.22 -0.26 121.20 119.86 1h2o s ILE 53 Ca 0.64 0.07 -0.08 0.00 0.00 0.00 0.00 60.65 61.29 1h2o s ILE 53 Cb -0.18 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 1h2o s ILE 53 CO 0.57 0.27 0.08 -0.54 0.00 0.00 0.00 174.94 175.31 1h2o s LYS 54 N 1.87 3.99 -0.80 2.79 1.02 0.34 0.24 119.74 129.18 1h2o s LYS 54 Ca 0.04 -0.31 -0.15 0.00 0.02 0.00 0.00 55.97 55.56 1h2o s LYS 54 Cb -0.12 -3.25 0.19 0.00 -0.52 0.00 0.00 37.83 34.13 1h2o s LYS 54 CO -0.05 0.30 0.78 0.21 -0.92 0.00 0.00 175.35 175.68 1h2o s LYS 55 N 0.29 3.51 0.21 1.68 2.20 -1.05 0.28 119.74 126.86 1h2o s LYS 55 Ca 0.05 -2.24 -0.30 0.00 -0.36 0.00 0.00 55.97 53.11 1h2o s LYS 55 Cb -0.12 -4.47 -0.08 0.00 -1.51 0.00 0.00 37.83 31.65 1h2o s LYS 55 CO -0.00 -1.37 0.94 0.42 -0.36 0.00 0.00 175.35 174.98 1h2o s ILE 56 N 0.75 4.17 0.21 5.43 1.01 -0.30 -3.33 121.20 129.14 1h2o s ILE 56 Ca 0.18 2.08 0.09 0.00 0.00 0.00 0.00 60.65 63.01 1h2o s ILE 56 Cb -0.12 -4.33 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 1h2o s ILE 56 CO -0.07 0.46 -0.10 0.42 0.00 0.00 0.00 174.94 175.65 1h2o s THR 57 N -0.90 3.13 0.01 2.92 -4.23 0.44 0.23 115.64 117.24 1h2o s THR 57 Ca 0.42 -1.79 0.07 0.00 -1.18 0.00 0.00 61.69 59.22 1h2o s THR 57 Cb -0.25 -2.58 -0.03 0.00 1.34 0.00 0.00 72.50 70.98 1h2o s THR 57 CO 0.31 -0.18 -0.22 -0.36 -0.54 0.00 0.00 174.62 173.63 1h2o s PHE 58 N -1.88 2.45 -0.33 3.99 0.08 0.80 0.20 117.98 123.29 1h2o s PHE 58 Ca 0.26 -0.33 0.07 0.00 0.12 0.00 0.00 56.93 57.05 1h2o s PHE 58 Cb -0.08 -1.49 0.48 0.00 -0.57 0.00 0.00 43.02 41.36 1h2o s PHE 58 CO 0.16 0.12 1.44 0.41 -0.10 0.00 0.00 175.22 177.25 1h2o n GLY 59 N 2.01 5.50 0.34 4.36 0.00 -1.26 -4.17 105.19 111.98 1h2o n GLY 59 Ca -0.16 -1.80 0.18 0.00 0.00 0.00 0.00 46.02 44.23 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 1.48 0.00 0.00 1.61 5.08 -1.88 -3.46 114.58 117.40 1h2o h GLU 60 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1h2o h GLU 60 Cb 1.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1h2o h GLU 60 CO 0.62 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.04 1h2o n GLY 61 N -1.35 -0.83 0.17 -3.84 0.00 -1.26 -5.01 105.19 93.07 1h2o n GLY 61 Ca 0.01 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 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 0.47 -1.71 1.61 0.02 -1.97 -3.43 113.55 108.54 1h2o h SER 62 Ca 0.00 -0.19 -0.67 0.00 -0.84 0.00 0.00 61.79 60.09 1h2o h SER 62 Cb 0.00 -0.12 0.08 0.00 0.14 0.00 0.00 62.40 62.49 1h2o h SER 62 CO 0.00 0.53 0.18 1.67 -1.14 0.00 0.00 176.83 178.07 1h2o n GLN 63 N -4.68 0.89 -2.30 3.45 7.27 -1.26 -4.84 117.38 115.90 1h2o n GLN 63 Ca -0.01 0.32 -0.42 0.00 0.07 0.00 0.00 57.00 56.95 1h2o n GLN 63 Cb 0.16 -1.78 -0.03 0.00 2.41 0.00 0.00 30.24 31.00 1h2o n GLN 63 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1h2o s TYR 64 N -0.19 3.12 -0.13 3.69 2.02 -1.26 -4.84 117.35 119.76 1h2o s TYR 64 Ca 0.76 1.03 -0.04 0.00 -0.37 0.00 0.00 57.07 58.44 1h2o s TYR 64 Cb -0.92 -3.56 0.05 0.00 -0.40 0.00 0.00 41.96 37.13 1h2o s TYR 64 CO 0.53 -1.95 0.10 0.20 -1.57 0.00 0.00 175.55 172.86 1h2o s GLY 65 N 1.47 0.26 0.27 0.71 0.00 -1.26 -5.05 107.32 103.72 1h2o s GLY 65 Ca 0.61 -0.05 -0.15 0.00 0.00 0.00 0.00 44.72 45.13 1h2o s GLY 65 CO 0.27 1.68 0.57 -2.52 0.00 0.00 0.00 173.10 173.10 1h2o s TYR 66 N 2.18 0.20 0.27 1.90 -0.85 -1.26 0.28 117.35 120.06 1h2o s TYR 66 Ca 0.03 -0.60 0.02 0.00 -0.52 0.00 0.00 57.07 56.00 1h2o s TYR 66 Cb -0.15 0.37 -0.03 0.00 0.38 0.00 0.00 41.96 42.54 1h2o s TYR 66 CO -0.07 -1.10 0.24 0.14 -1.52 0.00 0.00 175.55 173.23 1h2o s VAL 67 N -3.88 0.00 -0.13 -3.49 -7.23 0.14 -4.34 120.40 101.46 1h2o s VAL 67 Ca 0.19 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.42 1h2o s VAL 67 Cb -0.03 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.44 1h2o s VAL 67 CO 0.09 0.00 -0.12 -0.54 -0.31 0.00 0.00 175.10 174.22 1h2o s LYS 68 N -3.77 2.04 -0.16 4.82 1.02 -1.23 -1.15 119.74 121.31 1h2o s LYS 68 Ca 0.38 -0.46 -0.04 0.00 0.02 0.00 0.00 55.97 55.87 1h2o s LYS 68 Cb 0.04 -1.91 -0.03 0.00 -0.52 0.00 0.00 37.83 35.41 1h2o s LYS 68 CO 0.19 -0.23 -0.03 -1.01 -0.92 0.00 0.00 175.35 173.36 1h2o s HIS 69 N 1.49 3.04 -0.37 3.18 3.76 0.14 -2.25 115.29 124.28 1h2o s HIS 69 Ca 0.04 -0.31 -0.13 0.00 -0.15 0.00 0.00 55.06 54.50 1h2o s HIS 69 Cb -0.13 -1.98 0.00 0.00 1.11 0.00 0.00 32.58 31.58 1h2o s HIS 69 CO -0.09 -0.06 0.26 0.21 -0.85 0.00 0.00 174.74 174.21 1h2o s LYS 70 N 0.46 3.24 0.14 1.40 2.20 0.40 0.12 119.74 127.70 1h2o s LYS 70 Ca -0.03 -0.82 -0.35 0.00 -0.36 0.00 0.00 55.97 54.41 1h2o s LYS 70 Cb -0.14 -3.86 -0.15 0.00 -1.51 0.00 0.00 37.83 32.17 1h2o s LYS 70 CO 0.03 -0.58 1.44 -0.89 -0.36 0.00 0.00 175.35 174.99 1h2o n ILE 71 N 5.12 0.15 -0.08 5.43 2.08 0.64 0.15 119.36 132.85 1h2o n ILE 71 Ca -0.12 -0.04 -0.10 0.00 0.56 0.00 0.00 62.75 63.05 1h2o n ILE 71 Cb 0.48 -1.21 -0.09 0.00 -0.75 0.00 0.00 39.64 38.08 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 2.85 2.31 -3.60 4.38 8.00 0.13 0.43 116.55 131.05 1h2o n ASP 72 Ca 0.17 -0.07 0.01 0.00 0.71 0.00 0.00 54.79 55.61 1h2o n ASP 72 Cb 0.25 0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.42 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 -5.39 -0.03 0.06 -2.24 0.01 -0.54 -4.74 113.70 100.84 1h2o s SER 73 Ca -0.18 -0.03 -0.16 0.00 1.31 0.00 0.00 55.95 56.89 1h2o s SER 73 Cb 0.05 0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.36 1h2o s SER 73 CO 0.46 -0.09 0.36 -0.63 0.41 0.00 0.00 173.24 173.75 1h2o s ILE 74 N -2.13 0.07 -0.50 1.44 1.09 -1.26 -1.76 121.20 118.14 1h2o s ILE 74 Ca 0.13 -0.59 0.05 0.00 -1.10 0.00 0.00 60.65 59.15 1h2o s ILE 74 Cb 0.04 -1.00 0.20 0.00 -1.06 0.00 0.00 42.46 40.64 1h2o s ILE 74 CO -0.05 -0.33 0.48 0.47 -0.10 0.00 0.00 174.94 175.41 1h2o n ASP 75 N 0.38 1.05 0.08 3.58 8.00 0.71 -4.93 116.55 125.43 1h2o n ASP 75 Ca -0.18 -2.79 0.06 0.00 0.71 0.00 0.00 54.79 52.59 1h2o n ASP 75 Cb 0.60 -0.64 0.32 0.00 -0.02 0.00 0.00 41.12 41.39 1h2o n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1h2o n LYS 76 N 2.01 0.08 -0.04 -1.24 5.02 -1.26 0.25 118.16 122.97 1h2o n LYS 76 Ca 0.26 0.55 -0.11 0.00 -2.02 0.00 0.00 58.31 56.99 1h2o n LYS 76 Cb 0.45 -1.74 -0.14 0.00 -0.02 0.00 0.00 35.03 33.58 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 -1.90 0.66 0.00 1.97 1.02 -1.26 -4.25 120.64 116.89 1h2o n GLU 77 Ca -0.00 0.22 0.07 0.00 -0.02 0.00 0.00 57.16 57.42 1h2o n GLU 77 Cb 0.03 -1.71 -0.02 0.00 -0.02 0.00 0.00 31.44 29.72 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 -3.06 1.25 -2.31 1.62 3.02 -0.39 -5.00 115.26 110.41 1h2o n ASN 78 Ca -0.24 -1.13 -0.10 0.00 -0.03 0.00 0.00 54.58 53.09 1h2o n ASN 78 Cb 1.07 0.62 0.05 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 -0.48 -1.24 -4.63 3.10 4.01 0.69 -4.28 117.16 114.32 1h2o n TYR 79 Ca 0.05 0.52 -0.30 0.00 -0.16 0.00 0.00 57.90 58.01 1h2o n TYR 79 Cb 0.27 -3.63 -0.14 0.00 -0.31 0.00 0.00 39.34 35.54 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 -3.67 3.31 0.00 7.72 0.01 -0.92 -1.69 113.70 118.46 1h2o s SER 80 Ca 0.04 -0.65 -0.00 0.00 1.31 0.00 0.00 55.95 56.64 1h2o s SER 80 Cb -0.02 -0.29 -0.01 0.00 0.21 0.00 0.00 66.02 65.92 1h2o s SER 80 CO 0.40 0.22 0.00 -0.47 0.41 0.00 0.00 173.24 173.80 1h2o s TYR 81 N -0.94 0.07 -0.10 2.43 5.04 0.11 -0.21 117.35 123.75 1h2o s TYR 81 Ca 0.13 -0.14 -0.11 0.00 -2.44 0.00 0.00 57.07 54.51 1h2o s TYR 81 Cb -0.10 -0.06 0.03 0.00 0.35 0.00 0.00 41.96 42.18 1h2o s TYR 81 CO 0.04 -0.07 0.31 0.45 -1.34 0.00 0.00 175.55 174.94 1h2o s SER 82 N -0.47 -0.30 0.32 4.32 0.15 -0.72 0.20 113.70 117.19 1h2o s SER 82 Ca -0.05 0.55 -0.08 0.00 0.70 0.00 0.00 55.95 57.07 1h2o s SER 82 Cb -0.03 0.59 0.01 0.00 -1.71 0.00 0.00 66.02 64.88 1h2o s SER 82 CO -0.00 -0.15 0.53 -0.72 1.20 0.00 0.00 173.24 174.10 1h2o s TYR 83 N -0.03 0.65 -0.11 3.44 1.13 0.17 0.17 117.35 122.79 1h2o s TYR 83 Ca -0.02 -1.01 0.03 0.00 -1.41 0.00 0.00 57.07 54.66 1h2o s TYR 83 Cb -0.03 0.18 0.01 0.00 -1.10 0.00 0.00 41.96 41.02 1h2o s TYR 83 CO 0.01 -1.17 -0.20 0.99 -2.51 0.00 0.00 175.55 172.67 1h2o s THR 84 N -3.24 1.79 -0.17 -3.49 2.01 0.39 0.81 115.64 113.74 1h2o s THR 84 Ca 0.25 -0.84 -0.15 0.00 0.31 0.00 0.00 61.69 61.26 1h2o s THR 84 Cb -0.01 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 1h2o s THR 84 CO 0.15 0.50 0.35 -0.22 -0.69 0.00 0.00 174.62 174.71 1h2o s LEU 85 N 0.64 4.21 0.00 4.42 2.96 -0.05 0.15 118.68 131.02 1h2o s LEU 85 Ca -0.13 0.55 0.06 0.00 -0.22 0.00 0.00 54.13 54.39 1h2o s LEU 85 Cb -0.16 -2.46 0.06 0.00 0.50 0.00 0.00 46.19 44.12 1h2o s LEU 85 CO 0.03 0.02 0.72 2.30 -1.32 0.00 0.00 176.35 178.10 1h2o n ILE 86 N 3.88 0.05 -3.77 6.68 -5.35 -0.96 -1.60 119.36 118.30 1h2o n ILE 86 Ca -0.10 -0.53 -0.11 0.00 -0.27 0.00 0.00 62.75 61.74 1h2o n ILE 86 Cb 0.52 1.10 -0.08 0.00 -1.74 0.00 0.00 39.64 39.44 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 -0.54 0.78 0.00 6.28 2.12 -1.25 -4.93 118.70 121.15 1h2o s GLU 87 Ca 0.08 -0.50 0.00 0.00 0.36 0.00 0.00 54.97 54.91 1h2o s GLU 87 Cb 0.05 0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.78 1h2o s GLU 87 CO 0.08 -0.24 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 1h2o n GLY 88 N 0.66 3.74 0.20 -1.50 0.00 -1.26 -3.52 105.19 103.52 1h2o n GLY 88 Ca -0.19 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 0.30 1.61 1.82 -2.00 -0.48 116.42 117.66 1h2o h ASP 89 Ca 0.00 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.57 1h2o h ASP 89 Cb 0.00 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 1h2o h ASP 89 CO 0.00 0.00 -0.31 0.00 -1.61 0.00 0.00 179.24 177.32 1h2o h ALA 90 N 1.73 1.45 0.00 -0.78 0.00 -1.97 -2.15 119.26 117.55 1h2o h ALA 90 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1h2o h ALA 90 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1h2o h ALA 90 CO 0.00 0.41 0.08 -0.07 0.00 0.00 0.00 179.25 179.67 1h2o h LEU 91 N 0.03 0.00 2.15 0.00 3.38 -1.42 -3.45 115.31 116.00 1h2o h LEU 91 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1h2o h LEU 91 Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1h2o h LEU 91 CO 0.04 0.00 -0.26 0.61 0.09 0.00 0.00 178.44 178.92 1h2o n GLY 92 N -1.27 -0.50 2.56 0.83 0.00 -0.81 0.76 105.19 106.77 1h2o n GLY 92 Ca -0.02 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1h2o n GLY 92 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h2o n ASP 93 N -1.78 -4.76 -0.07 1.61 8.00 -1.26 -4.73 116.55 113.56 1h2o n ASP 93 Ca -0.09 0.23 -0.14 0.00 0.71 0.00 0.00 54.79 55.50 1h2o n ASP 93 Cb 0.57 -3.60 -0.05 0.00 -0.02 0.00 0.00 41.12 38.03 1h2o n ASP 93 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1h2o n THR 94 N -1.92 1.04 -1.91 -3.53 -2.24 0.23 -5.01 114.28 100.93 1h2o n THR 94 Ca -0.09 -0.10 -0.30 0.00 -2.27 0.00 0.00 64.05 61.29 1h2o n THR 94 Cb 0.50 -1.81 0.04 0.00 -2.10 0.00 0.00 70.33 66.96 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 -7.07 2.95 0.00 3.22 1.43 -0.85 -3.70 118.68 114.66 1h2o s LEU 95 Ca -0.21 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 1h2o s LEU 95 Cb 0.07 -3.96 0.00 0.00 0.03 0.00 0.00 46.19 42.33 1h2o s LEU 95 CO 0.28 -1.28 0.00 1.21 0.23 0.00 0.00 176.35 176.79 1h2o n GLU 96 N -2.96 0.00 -2.71 1.70 2.13 -0.72 -4.84 120.64 113.23 1h2o n GLU 96 Ca 0.07 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.47 1h2o n GLU 96 Cb 0.57 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.25 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 -0.16 4.51 0.00 5.31 1.02 -1.13 -4.63 119.74 124.66 1h2o s LYS 97 Ca 0.00 1.39 0.08 0.00 0.02 0.00 0.00 55.97 57.47 1h2o s LYS 97 Cb 0.00 -3.49 -0.02 0.00 -0.52 0.00 0.00 37.83 33.80 1h2o s LYS 97 CO 0.00 -0.14 -0.26 0.42 -0.92 0.00 0.00 175.35 174.46 1h2o s ILE 98 N 1.35 2.04 -0.12 2.17 -1.09 -0.63 -0.41 121.20 124.52 1h2o s ILE 98 Ca 0.50 -1.19 0.03 0.00 -2.23 0.00 0.00 60.65 57.76 1h2o s ILE 98 Cb -0.20 -1.71 0.01 0.00 -1.58 0.00 0.00 42.46 38.98 1h2o s ILE 98 CO 0.24 0.49 -0.19 -0.44 -1.23 0.00 0.00 174.94 173.81 1h2o s SER 99 N -0.82 2.79 -0.06 3.58 0.01 0.11 -0.87 113.70 118.44 1h2o s SER 99 Ca 0.10 -0.51 0.05 0.00 1.31 0.00 0.00 55.95 56.90 1h2o s SER 99 Cb -0.10 -1.27 -0.00 0.00 0.21 0.00 0.00 66.02 64.85 1h2o s SER 99 CO 0.00 0.07 -0.21 -0.31 0.41 0.00 0.00 173.24 173.20 1h2o s TYR 100 N 0.76 2.16 -0.02 2.43 2.02 0.24 0.19 117.35 125.12 1h2o s TYR 100 Ca -0.10 -0.72 0.01 0.00 -0.37 0.00 0.00 57.07 55.89 1h2o s TYR 100 Cb -0.16 -1.44 0.01 0.00 -0.40 0.00 0.00 41.96 39.97 1h2o s TYR 100 CO 0.01 -0.26 -0.03 -2.00 -1.57 0.00 0.00 175.55 171.70 1h2o s GLU 101 N 0.10 0.48 -0.00 -0.62 2.12 0.70 0.45 118.70 121.93 1h2o s GLU 101 Ca -0.08 -0.08 0.03 0.00 0.36 0.00 0.00 54.97 55.20 1h2o s GLU 101 Cb -0.14 -0.52 -0.01 0.00 0.26 0.00 0.00 34.13 33.71 1h2o s GLU 101 CO 0.05 -0.01 -0.11 0.99 -0.54 0.00 0.00 175.26 175.63 1h2o s THR 102 N 0.48 0.86 -0.01 -1.70 2.01 0.53 0.25 115.64 118.05 1h2o s THR 102 Ca -0.05 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.48 1h2o s THR 102 Cb -0.09 -0.73 -0.01 0.00 0.01 0.00 0.00 72.50 71.69 1h2o s THR 102 CO -0.01 0.21 -0.12 -0.75 -0.69 0.00 0.00 174.62 173.27 1h2o s LYS 103 N -0.34 1.00 0.11 4.92 2.20 0.17 0.09 119.74 127.89 1h2o s LYS 103 Ca 0.04 -0.42 0.08 0.00 -0.36 0.00 0.00 55.97 55.31 1h2o s LYS 103 Cb -0.04 -0.96 -0.04 0.00 -1.51 0.00 0.00 37.83 35.28 1h2o s LYS 103 CO -0.00 0.24 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.56 1h2o s LEU 104 N -0.21 2.77 0.00 5.43 1.43 -0.68 0.81 118.68 128.22 1h2o s LEU 104 Ca 0.03 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1h2o s LEU 104 Cb -0.05 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.56 1h2o s LEU 104 CO -0.00 0.18 0.00 0.52 0.23 0.00 0.00 176.35 177.28 1h2o n VAL 105 N 0.81 0.00 -4.43 -1.59 0.31 0.44 -4.72 118.33 109.15 1h2o n VAL 105 Ca -0.15 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 63.94 1h2o n VAL 105 Cb 0.53 0.00 -0.10 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 -1.48 2.54 0.37 3.52 0.00 -1.26 -0.79 121.76 124.66 1h2o s ALA 106 Ca 0.00 -1.77 0.08 0.00 0.00 0.00 0.00 51.96 50.27 1h2o s ALA 106 Cb 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 1h2o s ALA 106 CO 0.00 0.27 0.09 -1.54 0.00 0.00 0.00 175.76 174.58 1h2o s SER 107 N -3.25 4.32 0.00 0.00 1.04 -0.05 -4.40 113.70 111.37 1h2o s SER 107 Ca 0.26 -1.02 0.19 0.00 0.48 0.00 0.00 55.95 55.86 1h2o s SER 107 Cb -0.05 -0.53 0.99 0.00 0.10 0.00 0.00 66.02 66.53 1h2o s SER 107 CO 0.12 -0.37 1.56 -0.81 0.98 0.00 0.00 173.24 174.72 1h2o n PRO 108 N -1.08 0.35 -0.02 4.02 -0.04 -1.26 -2.27 135.00 134.70 1h2o n PRO 108 Ca -0.03 0.08 0.08 0.00 -0.04 0.00 0.00 63.50 63.59 1h2o n PRO 108 Cb 0.63 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.21 2.36 0.00 3.54 7.64 -1.26 -4.97 113.62 119.72 1h2o n SER 109 Ca 0.10 -1.67 0.00 0.00 1.01 0.00 0.00 58.87 58.31 1h2o n SER 109 Cb 0.13 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 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 0.88 3.10 2.35 0.23 0.00 -0.96 -5.05 105.19 105.72 1h2o n GLY 110 Ca 0.10 -0.94 -0.17 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.81 3.21 -0.02 0.00 -1.26 -4.50 105.19 99.81 1h2o n GLY 111 Ca 0.00 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.32 2.36 0.15 1.61 1.04 0.53 -0.87 113.70 116.20 1h2o s SER 112 Ca 0.37 -0.37 -0.09 0.00 0.48 0.00 0.00 55.95 56.34 1h2o s SER 112 Cb -0.07 -0.26 -0.06 0.00 0.10 0.00 0.00 66.02 65.73 1h2o s SER 112 CO 0.31 0.24 0.46 -0.63 0.98 0.00 0.00 173.24 174.60 1h2o s ILE 113 N -0.49 5.03 -0.07 -1.02 1.01 0.03 0.20 121.20 125.89 1h2o s ILE 113 Ca 0.08 0.42 0.01 0.00 0.00 0.00 0.00 60.65 61.16 1h2o s ILE 113 Cb -0.08 -3.65 0.02 0.00 0.01 0.00 0.00 42.46 38.77 1h2o s ILE 113 CO -0.01 0.12 -0.08 -0.63 0.00 0.00 0.00 174.94 174.35 1h2o s ILE 114 N -1.59 0.89 -0.25 2.92 1.01 0.40 0.17 121.20 124.75 1h2o s ILE 114 Ca 0.40 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.78 1h2o s ILE 114 Cb -0.13 -0.87 0.05 0.00 0.01 0.00 0.00 42.46 41.52 1h2o s ILE 114 CO 0.21 0.32 -0.11 -0.75 0.00 0.00 0.00 174.94 174.60 1h2o s LYS 115 N 1.06 2.34 0.30 2.79 2.20 0.24 -0.82 119.74 127.85 1h2o s LYS 115 Ca -0.08 -1.29 0.02 0.00 -0.36 0.00 0.00 55.97 54.27 1h2o s LYS 115 Cb -0.14 -2.87 -0.03 0.00 -1.51 0.00 0.00 37.83 33.28 1h2o s LYS 115 CO -0.01 -0.53 0.47 -1.12 -0.36 0.00 0.00 175.35 173.80 1h2o s SER 116 N 1.13 6.31 -0.30 1.43 0.01 -0.93 0.42 113.70 121.77 1h2o s SER 116 Ca -0.07 0.30 -0.08 0.00 1.31 0.00 0.00 55.95 57.41 1h2o s SER 116 Cb -0.19 -1.97 0.14 0.00 0.21 0.00 0.00 66.02 64.22 1h2o s SER 116 CO -0.06 -0.20 0.64 -0.89 0.41 0.00 0.00 173.24 173.15 1h2o s THR 117 N -2.17 -0.99 0.24 1.44 2.01 0.69 -0.73 115.64 116.13 1h2o s THR 117 Ca 0.38 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.45 1h2o s THR 117 Cb -0.09 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.36 1h2o s THR 117 CO 0.33 0.00 -0.12 -0.94 -0.69 0.00 0.00 174.62 173.20 1h2o s SER 118 N 2.89 2.79 -0.02 3.53 1.04 0.14 0.25 113.70 124.32 1h2o s SER 118 Ca -0.01 -1.08 -0.00 0.00 0.48 0.00 0.00 55.95 55.34 1h2o s SER 118 Cb -0.13 -0.17 0.02 0.00 0.10 0.00 0.00 66.02 65.85 1h2o s SER 118 CO -0.19 -0.21 0.03 -1.00 0.98 0.00 0.00 173.24 172.85 1h2o s HIS 119 N -2.92 0.02 0.06 5.02 3.76 0.49 -0.83 115.29 120.89 1h2o s HIS 119 Ca 0.26 0.12 -0.03 0.00 -0.15 0.00 0.00 55.06 55.26 1h2o s HIS 119 Cb 0.00 -0.19 -0.05 0.00 1.11 0.00 0.00 32.58 33.46 1h2o s HIS 119 CO 0.10 -0.08 0.27 0.71 -0.85 0.00 0.00 174.74 174.89 1h2o s TYR 120 N 0.88 3.53 -0.40 1.40 1.51 -0.85 0.08 117.35 123.50 1h2o s TYR 120 Ca -0.07 0.43 0.02 0.00 -1.01 0.00 0.00 57.07 56.43 1h2o s TYR 120 Cb -0.11 -1.89 0.12 0.00 -0.11 0.00 0.00 41.96 39.98 1h2o s TYR 120 CO -0.03 0.56 0.19 -1.01 -1.11 0.00 0.00 175.55 174.15 1h2o s HIS 121 N -1.47 2.10 0.75 2.71 3.76 0.46 -0.83 115.29 122.76 1h2o s HIS 121 Ca 0.34 -2.33 -0.13 0.00 -0.15 0.00 0.00 55.06 52.79 1h2o s HIS 121 Cb -0.13 -1.96 0.05 0.00 1.11 0.00 0.00 32.58 31.65 1h2o s HIS 121 CO 0.23 -0.82 1.13 0.95 -0.85 0.00 0.00 174.74 175.39 1h2o s THR 122 N 0.69 2.84 -0.23 1.30 -4.23 -0.30 -1.76 115.64 113.94 1h2o s THR 122 Ca 0.15 0.34 -0.01 0.00 -1.18 0.00 0.00 61.69 61.00 1h2o s THR 122 Cb -0.22 -2.78 0.03 0.00 1.34 0.00 0.00 72.50 70.86 1h2o s THR 122 CO -0.06 -0.29 -0.09 -0.75 -0.54 0.00 0.00 174.62 172.88 1h2o s LYS 123 N -4.35 2.83 0.17 3.99 2.47 -1.24 -4.07 119.74 119.53 1h2o s LYS 123 Ca 0.67 -0.97 0.00 0.00 -1.56 0.00 0.00 55.97 54.11 1h2o s LYS 123 Cb -0.22 -2.89 0.00 0.00 -1.46 0.00 0.00 37.83 33.26 1h2o s LYS 123 CO 0.49 -0.37 0.00 0.41 0.16 0.00 0.00 175.35 176.04 1h2o n GLY 124 N 4.64 0.94 2.37 5.54 0.00 -1.26 -4.60 105.19 112.81 1h2o n GLY 124 Ca -0.17 -1.09 -0.26 0.00 0.00 0.00 0.00 46.02 44.50 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 0.20 1.25 -4.02 1.61 5.15 -1.26 -4.59 115.26 113.60 1h2o n ASN 125 Ca 0.00 -2.87 -0.09 0.00 -0.60 0.00 0.00 54.58 51.02 1h2o n ASN 125 Cb 0.00 -0.64 -0.11 0.00 -0.53 0.00 0.00 39.78 38.50 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 -1.29 0.18 0.34 3.44 -7.23 -1.26 -5.10 120.40 109.48 1h2o s VAL 126 Ca 0.35 -1.20 0.04 0.00 -1.81 0.00 0.00 61.98 59.36 1h2o s VAL 126 Cb 0.12 -0.67 -0.07 0.00 0.56 0.00 0.00 36.38 36.31 1h2o s VAL 126 CO -0.11 -0.65 0.05 -1.61 -0.31 0.00 0.00 175.10 172.47 1h2o s GLU 127 N -2.23 1.72 0.47 4.82 2.02 -1.26 -4.47 118.70 119.77 1h2o s GLU 127 Ca -0.08 -1.96 0.09 0.00 0.02 0.00 0.00 54.97 53.03 1h2o s GLU 127 Cb -0.04 -1.03 0.03 0.00 0.10 0.00 0.00 34.13 33.19 1h2o s GLU 127 CO -0.04 -0.16 0.64 0.42 0.02 0.00 0.00 175.26 176.15 1h2o s ILE 128 N -3.17 2.72 -0.10 -1.63 1.09 -1.26 -4.99 121.20 113.86 1h2o s ILE 128 Ca 0.36 -1.00 0.02 0.00 -1.10 0.00 0.00 60.65 58.93 1h2o s ILE 128 Cb 0.09 -2.72 -0.01 0.00 -1.06 0.00 0.00 42.46 38.75 1h2o s ILE 128 CO 0.16 0.00 -0.18 -0.54 -0.10 0.00 0.00 174.94 174.29 1h2o s LYS 129 N -4.45 3.06 0.33 2.79 1.02 -1.26 -5.00 119.74 116.23 1h2o s LYS 129 Ca 0.57 -0.76 0.09 0.00 0.02 0.00 0.00 55.97 55.89 1h2o s LYS 129 Cb -0.09 -2.45 0.97 0.00 -0.52 0.00 0.00 37.83 35.74 1h2o s LYS 129 CO 0.35 0.29 1.61 0.93 -0.92 0.00 0.00 175.35 177.61 1h2o h GLU 130 N 6.42 0.12 -0.96 1.68 5.08 -1.99 1.11 114.58 126.04 1h2o h GLU 130 Ca -0.28 -0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.25 1h2o h GLU 130 Cb 1.21 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.34 1h2o h GLU 130 CO 0.52 0.08 0.61 1.49 -1.00 0.00 0.00 179.01 180.70 1h2o h GLU 131 N 0.12 0.66 0.21 2.33 4.81 -1.97 1.24 114.58 121.98 1h2o h GLU 131 Ca 0.68 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.86 1h2o h GLU 131 Cb 1.56 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.79 1h2o h GLU 131 CO -0.75 0.44 -0.10 1.25 -0.73 0.00 0.00 179.01 179.12 1h2o h HIS 132 N 0.68 -0.26 -0.68 0.92 2.76 0.87 -0.34 115.15 119.10 1h2o h HIS 132 Ca 0.51 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.71 1h2o h HIS 132 Cb 0.90 0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.90 1h2o h HIS 132 CO -0.00 0.02 0.45 0.28 -1.30 0.00 0.00 177.93 177.38 1h2o h VAL 133 N -1.01 1.11 -0.16 5.26 2.07 -1.02 -1.39 116.25 121.11 1h2o h VAL 133 Ca -0.03 -0.28 -0.12 0.00 0.82 0.00 0.00 66.70 67.09 1h2o h VAL 133 Cb 0.40 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1h2o h VAL 133 CO 0.05 0.15 -0.35 0.50 0.02 0.00 0.00 177.57 177.94 1h2o h LYS 134 N 0.83 0.52 0.00 1.57 3.64 0.15 -2.93 116.57 120.35 1h2o h LYS 134 Ca 0.27 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1h2o h LYS 134 Cb 0.05 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1h2o h LYS 134 CO -0.07 0.96 -0.06 0.00 -2.27 0.00 0.00 179.45 178.01 1h2o h ALA 135 N 0.56 1.66 0.00 5.00 0.00 -0.50 -0.78 119.26 125.20 1h2o h ALA 135 Ca 0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1h2o h ALA 135 Cb 0.95 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1h2o h ALA 135 CO 0.08 0.07 -0.61 0.78 0.00 0.00 0.00 179.25 179.56 1h2o h GLY 136 N 0.24 0.00 1.67 0.00 0.00 -1.13 -1.46 103.07 102.39 1h2o h GLY 136 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 1h2o h GLY 136 CO 0.01 0.00 -0.71 0.50 0.00 0.00 0.00 176.54 176.33 1h2o h LYS 137 N 0.00 0.33 0.03 4.80 1.57 -0.97 -2.13 116.57 120.20 1h2o h LYS 137 Ca -0.01 -0.27 -0.24 0.00 -1.87 0.00 0.00 60.65 58.26 1h2o h LYS 137 Cb 1.18 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.52 1h2o h LYS 137 CO 0.08 0.91 -1.21 1.49 -0.57 0.00 0.00 179.45 180.15 1h2o h GLU 138 N 0.22 0.07 -0.08 3.15 4.81 -1.41 -2.52 114.58 118.83 1h2o h GLU 138 Ca -0.03 -0.12 -0.16 0.00 -0.13 0.00 0.00 59.36 58.92 1h2o h GLU 138 Cb 1.28 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 1h2o h GLU 138 CO 0.12 0.97 -0.65 0.87 -0.73 0.00 0.00 179.01 179.58 1h2o h LYS 139 N 0.02 0.33 0.11 1.92 1.57 -1.26 -2.77 116.57 116.49 1h2o h LYS 139 Ca -0.10 -0.25 -0.27 0.00 -1.87 0.00 0.00 60.65 58.17 1h2o h LYS 139 Cb 1.87 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 34.22 1h2o h LYS 139 CO 0.14 0.87 -1.23 0.00 -0.57 0.00 0.00 179.45 178.65 1h2o h ALA 140 N 1.07 0.14 -0.66 3.86 0.00 -1.46 -3.26 119.26 118.95 1h2o h ALA 140 Ca -0.01 -0.90 -0.05 0.00 0.00 0.00 0.00 54.91 53.95 1h2o h ALA 140 Cb 1.19 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1h2o h ALA 140 CO 0.11 1.02 0.23 0.77 0.00 0.00 0.00 179.25 181.38 1h2o h SER 141 N 0.06 0.93 -0.52 0.00 0.02 -1.44 -2.40 113.55 110.21 1h2o h SER 141 Ca -0.13 -0.19 0.03 0.00 -0.84 0.00 0.00 61.79 60.66 1h2o h SER 141 Cb 1.95 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 64.21 1h2o h SER 141 CO 0.19 0.87 0.31 0.78 -1.14 0.00 0.00 176.83 177.85 1h2o h ASN 142 N 0.94 0.50 -0.92 3.07 2.35 -1.57 -1.90 115.58 118.05 1h2o h ASN 142 Ca 0.21 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1h2o h ASN 142 Cb 0.26 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.48 1h2o h ASN 142 CO -0.01 0.35 0.54 -0.07 -1.65 0.00 0.00 177.43 176.60 1h2o h LEU 143 N 0.62 1.12 -1.40 1.61 3.38 -1.54 -1.77 115.31 117.33 1h2o h LEU 143 Ca 0.21 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1h2o h LEU 143 Cb 0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1h2o h LEU 143 CO -0.10 0.86 0.10 -0.26 0.09 0.00 0.00 178.44 179.14 1h2o h PHE 144 N 1.27 0.50 0.00 1.13 0.04 -0.89 -0.91 116.94 118.09 1h2o h PHE 144 Ca 0.33 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.08 1h2o h PHE 144 Cb -0.04 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 37.96 1h2o h PHE 144 CO 0.01 0.43 0.00 1.17 -0.60 0.00 0.00 178.31 179.32 1h2o n LYS 145 N -4.36 0.21 0.07 1.51 4.81 -0.71 -2.49 118.16 117.21 1h2o n LYS 145 Ca 0.02 0.27 -0.19 0.00 -0.87 0.00 0.00 58.31 57.54 1h2o n LYS 145 Cb 0.17 -1.79 -0.15 0.00 0.02 0.00 0.00 35.03 33.28 1h2o n LYS 145 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1h2o h LEU 146 N 0.00 0.49 -0.29 3.14 3.38 -0.72 -3.15 115.31 118.16 1h2o h LEU 146 Ca 0.00 -0.67 -0.10 0.00 0.09 0.00 0.00 57.88 57.20 1h2o h LEU 146 Cb 0.57 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1h2o h LEU 146 CO 0.00 1.55 -0.21 0.40 0.09 0.00 0.00 178.44 180.27 1h2o h ILE 147 N 0.09 1.30 -0.70 1.22 2.04 -1.40 -1.96 117.51 118.09 1h2o h ILE 147 Ca -0.27 -1.35 0.11 0.00 1.00 0.00 0.00 64.86 64.36 1h2o h ILE 147 Cb 2.05 1.54 -0.08 0.00 -0.74 0.00 0.00 36.82 39.59 1h2o h ILE 147 CO 0.18 0.43 0.29 -0.33 0.00 0.00 0.00 178.15 178.72 1h2o h GLU 148 N 0.39 0.46 -0.18 2.37 5.08 -1.59 0.12 114.58 121.23 1h2o h GLU 148 Ca 0.05 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1h2o h GLU 148 Cb 0.76 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1h2o h GLU 148 CO 0.06 0.31 -0.25 1.15 -1.00 0.00 0.00 179.01 179.28 1h2o h THR 149 N 0.48 1.25 -0.28 1.13 2.02 -1.47 -1.35 112.91 114.70 1h2o h THR 149 Ca 0.37 -1.17 0.05 0.00 0.77 0.00 0.00 66.41 66.43 1h2o h THR 149 Cb 0.48 1.38 -0.05 0.00 -1.74 0.00 0.00 68.15 68.23 1h2o h THR 149 CO -0.34 0.36 -0.04 0.22 0.37 0.00 0.00 175.52 176.10 1h2o h TYR 150 N 0.30 -0.09 0.01 3.16 3.20 0.02 -1.58 116.97 121.99 1h2o h TYR 150 Ca 0.05 0.02 -0.23 0.00 3.14 0.00 0.00 58.73 61.71 1h2o h TYR 150 Cb 0.60 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.96 1h2o h TYR 150 CO 0.01 -0.09 -0.97 -0.07 -1.64 0.00 0.00 178.16 175.41 1h2o h LEU 151 N 0.04 0.56 -1.59 2.82 3.38 -1.32 0.93 115.31 120.13 1h2o h LEU 151 Ca 0.13 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1h2o h LEU 151 Cb 0.19 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1h2o h LEU 151 CO -0.26 1.26 0.00 0.50 0.09 0.00 0.00 178.44 180.03 1h2o h LYS 152 N 0.23 0.00 0.00 1.13 3.64 -0.81 -2.43 116.57 118.33 1h2o h LYS 152 Ca -0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1h2o h LYS 152 Cb 1.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 1h2o h LYS 152 CO 0.17 0.00 -1.00 0.41 -2.27 0.00 0.00 179.45 176.76 1h2o n GLY 153 N -1.25 0.00 3.22 5.01 0.00 -0.63 -4.89 105.19 106.64 1h2o n GLY 153 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 3.55 -2.00 1.61 3.76 0.32 -4.89 115.29 115.65 1h2o s HIS 154 Ca 0.00 -2.23 0.12 0.00 -0.15 0.00 0.00 55.06 52.80 1h2o s HIS 154 Cb 0.00 -3.52 0.73 0.00 1.11 0.00 0.00 32.58 30.90 1h2o s HIS 154 CO 0.00 -0.93 1.23 -0.35 -0.85 0.00 0.00 174.74 173.84 1h2o n PRO 155 N 4.00 0.66 0.00 8.40 -0.04 -1.26 -2.49 135.00 144.27 1h2o n PRO 155 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1h2o n PRO 155 Cb 0.42 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.79 0.32 -4.51 3.54 8.00 -1.26 -4.73 116.55 117.12 1h2o n ASP 156 Ca 0.09 -0.66 -0.44 0.00 0.71 0.00 0.00 54.79 54.49 1h2o n ASP 156 Cb 0.04 0.66 -0.06 0.00 -0.02 0.00 0.00 41.12 41.74 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 -0.66 1.05 -2.19 2.24 0.00 -1.04 -2.35 120.51 117.55 1h2o n ALA 157 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 53.44 53.06 1h2o n ALA 157 Cb 0.00 -2.77 -0.00 0.00 0.00 0.00 0.00 19.45 16.68 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 11.98 -1.60 -0.89 0.00 0.18 -1.26 -5.00 117.16 120.58 1h2o n TYR 158 Ca 0.41 0.02 0.00 0.00 1.88 0.00 0.00 57.90 60.21 1h2o n TYR 158 Cb 0.34 -0.84 0.00 0.00 -0.38 0.00 0.00 39.34 38.46 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07