#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 0.50 -0.13 1.61 1.01 -1.26 -3.11 120.40 119.02 1h2o s VAL 2 Ca 0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 1h2o s VAL 2 Cb 0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1h2o s VAL 2 CO 0.00 -0.12 -0.01 -0.36 0.00 0.00 0.00 175.10 174.60 1h2o s PHE 3 N -0.74 3.09 -0.38 5.22 0.40 -0.92 -4.86 117.98 119.79 1h2o s PHE 3 Ca -0.04 -0.05 -0.13 0.00 -0.60 0.00 0.00 56.93 56.11 1h2o s PHE 3 Cb -0.06 -1.89 0.02 0.00 0.51 0.00 0.00 43.02 41.59 1h2o s PHE 3 CO 0.00 0.20 0.25 0.99 0.70 0.00 0.00 175.22 177.36 1h2o s THR 4 N -0.16 4.99 -0.16 0.64 2.01 -1.26 -0.72 115.64 120.97 1h2o s THR 4 Ca 0.04 -0.66 -0.00 0.00 0.31 0.00 0.00 61.69 61.38 1h2o s THR 4 Cb -0.13 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 1h2o s THR 4 CO 0.02 -0.22 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.28 1h2o s TYR 5 N 1.64 2.81 0.03 4.92 2.02 0.78 -4.95 117.35 124.61 1h2o s TYR 5 Ca 0.04 -0.93 -0.01 0.00 -0.37 0.00 0.00 57.07 55.81 1h2o s TYR 5 Cb -0.19 -1.90 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 1h2o s TYR 5 CO 0.09 -0.41 -0.02 -1.83 -1.57 0.00 0.00 175.55 171.80 1h2o s GLU 6 N 0.77 0.46 -0.01 -0.62 -1.05 -1.26 0.16 118.70 117.15 1h2o s GLU 6 Ca -0.05 -0.89 0.00 0.00 -0.15 0.00 0.00 54.97 53.88 1h2o s GLU 6 Cb -0.15 0.16 0.01 0.00 -0.44 0.00 0.00 34.13 33.71 1h2o s GLU 6 CO 0.01 -0.08 0.01 -1.12 0.95 0.00 0.00 175.26 175.02 1h2o s SER 7 N -2.15 0.10 -0.05 0.83 0.01 -0.27 -4.91 113.70 107.26 1h2o s SER 7 Ca -0.05 0.01 0.05 0.00 1.31 0.00 0.00 55.95 57.26 1h2o s SER 7 Cb -0.01 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.14 1h2o s SER 7 CO -0.05 -0.05 -0.18 -0.70 0.41 0.00 0.00 173.24 172.67 1h2o s GLU 8 N 0.46 2.47 0.12 12.44 2.12 -1.26 0.16 118.70 135.21 1h2o s GLU 8 Ca -0.04 -0.77 -0.04 0.00 0.36 0.00 0.00 54.97 54.48 1h2o s GLU 8 Cb -0.06 -2.29 0.02 0.00 0.26 0.00 0.00 34.13 32.06 1h2o s GLU 8 CO -0.01 0.56 0.24 1.97 -0.54 0.00 0.00 175.26 177.47 1h2o n PHE 9 N 2.48 -1.36 -4.19 5.30 -1.74 0.30 -4.99 117.46 113.26 1h2o n PHE 9 Ca -0.17 -0.59 -0.13 0.00 -0.56 0.00 0.00 57.45 56.00 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 -2.71 0.00 -0.26 1.97 -4.23 -1.26 0.15 115.64 109.30 1h2o s THR 10 Ca 0.05 -1.92 -0.25 0.00 -1.18 0.00 0.00 61.69 58.39 1h2o s THR 10 Cb -0.01 -2.48 0.07 0.00 1.34 0.00 0.00 72.50 71.42 1h2o s THR 10 CO 0.04 0.00 0.72 -0.94 -0.54 0.00 0.00 174.62 173.90 1h2o s SER 11 N -3.19 -0.75 0.22 3.99 1.04 0.47 -4.87 113.70 110.62 1h2o s SER 11 Ca 0.37 1.43 -0.06 0.00 0.48 0.00 0.00 55.95 58.17 1h2o s SER 11 Cb 0.05 1.45 0.20 0.00 0.10 0.00 0.00 66.02 67.82 1h2o s SER 11 CO 0.15 -0.26 1.75 -0.33 0.98 0.00 0.00 173.24 175.53 1h2o h GLU 12 N 4.96 1.05 -6.63 4.02 5.08 -1.91 1.74 114.58 122.89 1h2o h GLU 12 Ca -0.29 -0.24 -0.58 0.00 -1.00 0.00 0.00 59.36 57.25 1h2o h GLU 12 Cb 1.16 -0.14 0.17 0.00 0.50 0.00 0.00 28.75 30.43 1h2o h GLU 12 CO 0.06 0.93 -0.21 -0.89 -1.00 0.00 0.00 179.01 177.90 1h2o n ILE 13 N -4.24 2.79 -2.15 3.13 -0.00 -1.26 -4.33 119.36 113.29 1h2o n ILE 13 Ca 0.05 -0.49 -0.41 0.00 -0.00 0.00 0.00 62.75 61.90 1h2o n ILE 13 Cb 0.25 -0.85 -0.03 0.00 -0.00 0.00 0.00 39.64 39.02 1h2o n ILE 13 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1h2o s PRO 14 N -2.38 4.37 0.27 0.38 0.04 -1.26 -4.25 135.00 132.17 1h2o s PRO 14 Ca 0.71 2.15 0.12 0.00 0.04 0.00 0.00 61.00 64.03 1h2o s PRO 14 Cb -0.43 -3.13 0.34 0.00 0.04 0.00 0.00 34.50 31.32 1h2o s PRO 14 CO 0.52 -0.23 1.59 -1.00 0.04 0.00 0.00 177.00 177.91 1h2o h PRO 15 N 4.42 0.00 0.00 0.56 0.13 -1.89 -2.74 132.00 132.47 1h2o h PRO 15 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1h2o h PRO 15 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1h2o h PRO 15 CO 0.72 0.61 -0.09 -1.00 -0.23 0.00 0.00 178.00 178.01 1h2o h PRO 16 N 0.00 0.00 0.00 1.56 0.13 -1.94 -1.02 132.00 130.74 1h2o h PRO 16 Ca -0.01 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.00 1h2o h PRO 16 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1h2o h PRO 16 CO 0.08 0.09 -0.69 -0.09 -0.23 0.00 0.00 178.00 177.16 1h2o h ARG 17 N 0.00 0.00 -0.22 0.86 2.43 -1.91 -2.77 114.38 112.78 1h2o h ARG 17 Ca -0.00 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1h2o h ARG 17 Cb 0.75 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1h2o h ARG 17 CO 0.01 0.91 0.19 1.25 -1.51 0.00 0.00 179.97 180.82 1h2o h LEU 18 N -1.00 0.00 0.25 3.80 6.46 -1.51 -0.30 115.31 123.00 1h2o h LEU 18 Ca -0.18 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.56 1h2o h LEU 18 Cb 1.10 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.03 1h2o h LEU 18 CO -0.11 0.00 -0.12 0.15 -0.62 0.00 0.00 178.44 177.74 1h2o h PHE 19 N 0.00 -0.31 -0.45 1.25 3.57 -1.24 0.60 116.94 120.37 1h2o h PHE 19 Ca 0.10 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.73 1h2o h PHE 19 Cb 0.49 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1h2o h PHE 19 CO 0.00 0.06 0.33 0.87 -2.23 0.00 0.00 178.31 177.35 1h2o h LYS 20 N -0.81 0.00 0.09 1.11 1.57 -1.00 0.38 116.57 117.91 1h2o h LYS 20 Ca -0.03 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1h2o h LYS 20 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1h2o h LYS 20 CO 0.06 0.00 -0.04 0.00 -0.57 0.00 0.00 179.45 178.89 1h2o h ALA 21 N 1.76 -0.16 0.00 3.86 0.00 -0.83 1.75 119.26 125.64 1h2o h ALA 21 Ca 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1h2o h ALA 21 Cb 0.88 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1h2o h ALA 21 CO -0.00 -0.16 -0.03 0.35 0.00 0.00 0.00 179.25 179.41 1h2o h PHE 22 N -0.69 0.00 0.00 0.00 3.57 0.50 1.98 116.94 122.30 1h2o h PHE 22 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1h2o h PHE 22 Cb 0.09 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1h2o h PHE 22 CO 0.01 0.03 -0.21 0.28 -2.23 0.00 0.00 178.31 176.20 1h2o n VAL 23 N -4.34 0.50 0.43 1.41 0.31 0.13 -3.47 118.33 113.30 1h2o n VAL 23 Ca -0.03 0.27 0.07 0.00 -0.01 0.00 0.00 64.34 64.65 1h2o n VAL 23 Cb 0.12 -1.55 0.32 0.00 -0.91 0.00 0.00 33.84 31.82 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 -3.06 0.14 -0.32 7.52 4.32 -0.23 -3.01 117.00 122.36 1h2o n LEU 24 Ca -0.03 0.54 0.01 0.00 -0.02 0.00 0.00 56.01 56.50 1h2o n LEU 24 Cb 0.11 -0.52 0.01 0.00 -1.62 0.00 0.00 43.42 41.39 1h2o n LEU 24 CO 0.04 -0.35 0.28 0.47 -1.22 0.00 0.00 177.39 176.61 1h2o n ASP 25 N -1.65 0.20 -0.24 -1.43 9.92 0.58 -4.87 116.55 119.05 1h2o n ASP 25 Ca 0.03 -1.78 0.04 0.00 -0.53 0.00 0.00 54.79 52.54 1h2o n ASP 25 Cb 0.16 -0.15 0.16 0.00 -0.64 0.00 0.00 41.12 40.66 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 0.97 0.00 2.24 0.00 0.32 2.01 119.26 124.80 1h2o h ALA 26 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1h2o h ALA 26 Cb 1.24 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1h2o h ALA 26 CO 0.00 -0.22 0.00 -0.25 0.00 0.00 0.00 179.25 178.78 1h2o n ASP 27 N -5.02 0.30 0.00 0.00 8.00 -1.26 -2.00 116.55 116.56 1h2o n ASP 27 Ca 0.13 0.62 0.00 0.00 0.71 0.00 0.00 54.79 56.25 1h2o n ASP 27 Cb 0.38 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 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 -1.88 0.18 -0.02 -2.24 3.02 0.23 -4.45 115.26 110.10 1h2o n ASN 28 Ca -0.00 -0.53 -0.20 0.00 -0.03 0.00 0.00 54.58 53.82 1h2o n ASN 28 Cb 0.06 0.61 -0.13 0.00 -0.61 0.00 0.00 39.78 39.70 1h2o n ASN 28 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1h2o h LEU 29 N 0.00 0.26 -0.33 3.41 6.46 0.35 -3.21 115.31 122.24 1h2o h LEU 29 Ca 0.00 -0.83 -0.13 0.00 -0.12 0.00 0.00 57.88 56.81 1h2o h LEU 29 Cb 0.02 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 1h2o h LEU 29 CO 0.00 1.46 -0.29 0.58 -0.62 0.00 0.00 178.44 179.57 1h2o h VAL 30 N -0.56 1.29 0.00 1.05 2.07 -1.75 -1.61 116.25 116.74 1h2o h VAL 30 Ca -0.24 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 65.82 1h2o h VAL 30 Cb 1.53 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1h2o h VAL 30 CO 0.01 0.47 0.00 -0.81 0.02 0.00 0.00 177.57 177.26 1h2o n PRO 31 N -4.21 0.93 0.00 1.57 -0.04 -1.26 -2.98 135.00 129.01 1h2o n PRO 31 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1h2o n PRO 31 Cb 0.48 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 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 -0.51 3.57 -0.03 0.54 5.02 -1.05 -4.72 118.16 120.98 1h2o n LYS 32 Ca 0.01 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1h2o n LYS 32 Cb 0.00 -0.97 -0.00 0.00 -0.02 0.00 0.00 35.03 34.04 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 0.00 -3.13 -0.18 2.04 -1.28 -3.45 117.51 111.51 1h2o h ILE 33 Ca 0.00 -0.50 -0.52 0.00 1.00 0.00 0.00 64.86 64.84 1h2o h ILE 33 Cb 0.89 0.00 -0.40 0.00 -0.74 0.00 0.00 36.82 36.57 1h2o h ILE 33 CO 0.00 0.00 -0.76 0.00 0.00 0.00 0.00 178.15 177.39 1h2o s ALA 34 N -2.78 0.93 -2.00 1.87 0.00 -1.16 -4.98 121.76 113.65 1h2o s ALA 34 Ca -0.00 -0.87 0.16 0.00 0.00 0.00 0.00 51.96 51.25 1h2o s ALA 34 Cb 0.00 -1.27 0.94 0.00 0.00 0.00 0.00 23.12 22.79 1h2o s ALA 34 CO 0.00 -1.34 1.35 -0.35 0.00 0.00 0.00 175.76 175.42 1h2o n PRO 35 N 5.09 0.51 0.07 0.00 -0.04 -1.26 -2.46 135.00 136.91 1h2o n PRO 35 Ca -0.07 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.52 1h2o n PRO 35 Cb 0.46 -1.48 0.44 0.00 -0.04 0.00 0.00 33.50 32.88 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 -0.98 0.18 -0.02 0.54 6.02 -1.26 -4.28 117.38 117.59 1h2o n GLN 36 Ca 0.12 0.14 -0.02 0.00 -0.01 0.00 0.00 57.00 57.23 1h2o n GLN 36 Cb 0.05 -1.70 -0.01 0.00 1.02 0.00 0.00 30.24 29.61 1h2o n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1h2o n ALA 37 N -1.70 0.17 -3.04 -1.58 0.00 -1.03 -4.56 120.51 108.77 1h2o n ALA 37 Ca 0.06 -0.33 -0.34 0.00 0.00 0.00 0.00 53.44 52.83 1h2o n ALA 37 Cb 0.40 0.01 -0.13 0.00 0.00 0.00 0.00 19.45 19.73 1h2o n ALA 37 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1h2o s ILE 38 N -1.40 3.79 -0.05 0.00 1.09 -1.26 -4.04 121.20 119.33 1h2o s ILE 38 Ca -0.06 -0.38 0.13 0.00 -1.10 0.00 0.00 60.65 59.24 1h2o s ILE 38 Cb 0.01 -2.67 -0.14 0.00 -1.06 0.00 0.00 42.46 38.60 1h2o s ILE 38 CO 0.09 0.47 1.01 0.50 -0.10 0.00 0.00 174.94 176.91 1h2o h LYS 39 N 7.01 0.00 -1.83 2.79 3.64 0.24 -3.41 116.57 125.01 1h2o h LYS 39 Ca -0.33 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1h2o h LYS 39 Cb 1.19 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.80 1h2o h LYS 39 CO 0.61 0.55 0.32 -1.58 -2.27 0.00 0.00 179.45 177.08 1h2o s HIS 40 N -2.80 -0.56 -0.09 1.91 5.04 -1.21 -4.98 115.29 112.61 1h2o s HIS 40 Ca -0.01 1.02 -0.00 0.00 -1.54 0.00 0.00 55.06 54.53 1h2o s HIS 40 Cb 0.09 0.41 0.02 0.00 0.04 0.00 0.00 32.58 33.14 1h2o s HIS 40 CO 0.80 -0.48 -0.06 -1.12 -2.34 0.00 0.00 174.74 171.54 1h2o s SER 41 N -0.99 1.79 -0.16 9.88 0.01 -1.26 -0.45 113.70 122.52 1h2o s SER 41 Ca -0.06 -0.22 -0.04 0.00 1.31 0.00 0.00 55.95 56.93 1h2o s SER 41 Cb -0.01 -0.69 0.06 0.00 0.21 0.00 0.00 66.02 65.59 1h2o s SER 41 CO 0.06 -0.10 0.07 -0.70 0.41 0.00 0.00 173.24 172.97 1h2o s GLU 42 N 1.49 0.25 0.24 12.44 2.12 -1.21 -4.90 118.70 129.14 1h2o s GLU 42 Ca -0.00 -0.14 -0.31 0.00 0.36 0.00 0.00 54.97 54.87 1h2o s GLU 42 Cb -0.13 -1.77 -0.13 0.00 0.26 0.00 0.00 34.13 32.36 1h2o s GLU 42 CO -0.04 -0.62 1.53 -0.89 -0.54 0.00 0.00 175.26 174.70 1h2o n ILE 43 N 5.21 0.70 -0.08 -3.70 5.41 -1.26 -2.42 119.36 123.22 1h2o n ILE 43 Ca -0.07 -0.18 -0.07 0.00 1.00 0.00 0.00 62.75 63.43 1h2o n ILE 43 Cb 0.49 -1.69 -0.12 0.00 -0.71 0.00 0.00 39.64 37.61 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 2.58 0.00 -4.43 1.39 4.77 0.57 -4.87 117.00 117.01 1h2o n LEU 44 Ca 0.12 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.88 1h2o n LEU 44 Cb 0.33 0.37 -0.10 0.00 -2.33 0.00 0.00 43.42 41.69 1h2o n LEU 44 CO 0.63 0.37 -0.46 0.26 -1.33 0.00 0.00 177.39 176.87 1h2o s TRP 45 N -2.39 2.08 0.00 -1.77 0.52 -0.96 -4.84 118.94 111.58 1h2o s TRP 45 Ca -0.08 -0.44 0.00 0.00 0.02 0.00 0.00 56.10 55.61 1h2o s TRP 45 Cb 0.05 -0.95 0.00 0.00 -1.15 0.00 0.00 33.47 31.42 1h2o s TRP 45 CO 0.64 0.57 0.00 0.41 0.02 0.00 0.00 176.95 178.59 1h2o n GLY 46 N -0.55 1.50 0.65 0.98 0.00 -1.26 -3.09 105.19 103.42 1h2o n GLY 46 Ca -0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.40 -0.05 0.00 1.61 9.92 -1.26 -4.93 116.55 120.43 1h2o n ASP 47 Ca 0.00 -1.52 0.00 0.00 -0.53 0.00 0.00 54.79 52.74 1h2o n ASP 47 Cb 0.00 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.44 1h2o n ASP 47 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1h2o n GLY 48 N 0.04 1.52 1.53 0.44 0.00 -1.26 -5.11 105.19 102.35 1h2o n GLY 48 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.77 3.71 -0.02 0.00 -1.26 -4.84 105.19 100.00 1h2o n GLY 49 Ca 0.00 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 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 -4.07 4.37 0.00 1.61 0.04 -1.26 -2.56 135.00 133.12 1h2o s PRO 50 Ca 0.31 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1h2o s PRO 50 Cb -0.03 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1h2o s PRO 50 CO 0.24 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.32 1h2o n GLY 51 N 3.38 1.37 3.78 0.56 0.00 -0.76 -4.99 105.19 108.53 1h2o n GLY 51 Ca 0.10 0.00 -0.31 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 -2.26 3.47 -0.10 2.61 2.01 -1.06 -4.64 115.64 115.67 1h2o s THR 52 Ca 0.00 0.48 -0.01 0.00 0.31 0.00 0.00 61.69 62.47 1h2o s THR 52 Cb 0.00 -3.06 0.03 0.00 0.01 0.00 0.00 72.50 69.48 1h2o s THR 52 CO 0.00 -0.63 -0.04 -0.63 -0.69 0.00 0.00 174.62 172.63 1h2o s ILE 53 N -2.97 0.79 -0.22 1.82 1.01 -1.18 0.55 121.20 121.00 1h2o s ILE 53 Ca 0.60 -0.18 -0.09 0.00 0.00 0.00 0.00 60.65 60.98 1h2o s ILE 53 Cb -0.16 -0.89 -0.05 0.00 0.01 0.00 0.00 42.46 41.38 1h2o s ILE 53 CO 0.56 0.30 0.12 -0.54 0.00 0.00 0.00 174.94 175.38 1h2o s LYS 54 N 1.80 4.02 -0.84 2.79 1.02 0.31 0.21 119.74 129.06 1h2o s LYS 54 Ca 0.05 -0.30 -0.16 0.00 0.02 0.00 0.00 55.97 55.58 1h2o s LYS 54 Cb -0.13 -3.42 0.19 0.00 -0.52 0.00 0.00 37.83 33.95 1h2o s LYS 54 CO -0.07 0.12 0.86 0.21 -0.92 0.00 0.00 175.35 175.55 1h2o s LYS 55 N 0.84 3.57 0.22 1.68 2.20 -1.01 0.12 119.74 127.35 1h2o s LYS 55 Ca 0.06 -2.21 -0.30 0.00 -0.36 0.00 0.00 55.97 53.16 1h2o s LYS 55 Cb -0.13 -4.55 -0.09 0.00 -1.51 0.00 0.00 37.83 31.55 1h2o s LYS 55 CO 0.02 -1.43 0.94 0.42 -0.36 0.00 0.00 175.35 174.94 1h2o s ILE 56 N 0.97 4.12 0.16 5.43 1.01 -0.47 -3.30 121.20 129.13 1h2o s ILE 56 Ca 0.21 2.08 0.09 0.00 0.00 0.00 0.00 60.65 63.03 1h2o s ILE 56 Cb -0.10 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 1h2o s ILE 56 CO -0.08 0.48 -0.13 0.42 0.00 0.00 0.00 174.94 175.63 1h2o s THR 57 N -1.05 3.06 0.50 2.92 -4.23 0.40 0.12 115.64 117.36 1h2o s THR 57 Ca 0.42 -1.63 0.05 0.00 -1.18 0.00 0.00 61.69 59.34 1h2o s THR 57 Cb -0.26 -2.48 -0.00 0.00 1.34 0.00 0.00 72.50 71.10 1h2o s THR 57 CO 0.32 -0.05 0.21 -0.36 -0.54 0.00 0.00 174.62 174.20 1h2o s PHE 58 N -1.55 1.98 0.29 3.99 0.08 0.74 0.22 117.98 123.73 1h2o s PHE 58 Ca 0.23 -0.81 -0.26 0.00 0.12 0.00 0.00 56.93 56.21 1h2o s PHE 58 Cb -0.09 -1.83 -0.15 0.00 -0.57 0.00 0.00 43.02 40.37 1h2o s PHE 58 CO 0.14 -0.06 0.60 0.41 -0.10 0.00 0.00 175.22 176.20 1h2o n GLY 59 N -1.45 -1.44 0.38 4.36 0.00 -1.26 -4.34 105.19 101.44 1h2o n GLY 59 Ca -0.07 0.24 0.16 0.00 0.00 0.00 0.00 46.02 46.35 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 1.13 0.44 0.00 1.61 4.81 -1.94 -3.39 114.58 117.25 1h2o h GLU 60 Ca -0.34 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1h2o h GLU 60 Cb 1.41 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1h2o h GLU 60 CO 0.56 0.29 0.00 0.41 -0.73 0.00 0.00 179.01 179.54 1h2o n GLY 61 N -1.51 0.64 0.15 1.92 0.00 -1.26 -2.81 105.19 102.32 1h2o n GLY 61 Ca 0.16 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 0.33 0.00 -5.20 1.61 0.02 -2.03 -3.45 113.55 104.83 1h2o h SER 62 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1h2o h SER 62 Cb 0.00 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.38 1h2o h SER 62 CO 0.00 0.57 -0.68 -1.10 -1.14 0.00 0.00 176.83 174.48 1h2o s GLN 63 N -3.62 0.56 0.27 3.45 -1.52 -1.12 -5.12 119.66 112.56 1h2o s GLN 63 Ca -0.01 -1.12 -0.29 0.00 -1.95 0.00 0.00 55.36 51.99 1h2o s GLN 63 Cb 0.12 0.19 -0.14 0.00 -0.22 0.00 0.00 33.01 32.97 1h2o s GLN 63 CO 0.75 -0.10 1.09 2.48 -0.25 0.00 0.00 175.29 179.26 1h2o n TYR 64 N 0.35 1.42 -3.49 0.91 0.18 -1.26 -4.81 117.16 110.46 1h2o n TYR 64 Ca -0.16 0.67 -0.28 0.00 1.88 0.00 0.00 57.90 60.01 1h2o n TYR 64 Cb 0.60 -2.28 -0.11 0.00 -0.38 0.00 0.00 39.34 37.16 1h2o n TYR 64 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1h2o s GLY 65 N -0.37 1.18 0.29 -7.48 0.00 -1.26 -5.04 107.32 94.63 1h2o s GLY 65 Ca 0.62 -2.27 0.02 0.00 0.00 0.00 0.00 44.72 43.09 1h2o s GLY 65 CO 0.58 1.99 0.11 -2.52 0.00 0.00 0.00 173.10 173.26 1h2o s TYR 66 N 0.48 1.63 0.31 1.90 -0.85 -1.26 0.26 117.35 119.82 1h2o s TYR 66 Ca 0.24 -1.20 0.06 0.00 -0.52 0.00 0.00 57.07 55.64 1h2o s TYR 66 Cb -0.12 -0.96 -0.03 0.00 0.38 0.00 0.00 41.96 41.22 1h2o s TYR 66 CO -0.08 -0.33 0.26 0.14 -1.52 0.00 0.00 175.55 174.02 1h2o s VAL 67 N -3.62 0.00 -0.25 -3.49 -7.23 0.32 -4.36 120.40 101.78 1h2o s VAL 67 Ca 0.36 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.52 1h2o s VAL 67 Cb 0.07 -2.50 0.08 0.00 0.56 0.00 0.00 36.38 34.59 1h2o s VAL 67 CO 0.15 0.00 0.08 -0.54 -0.31 0.00 0.00 175.10 174.47 1h2o s LYS 68 N -3.55 0.57 -0.19 4.82 1.02 -1.20 -1.37 119.74 119.83 1h2o s LYS 68 Ca 0.40 -0.66 -0.13 0.00 0.02 0.00 0.00 55.97 55.60 1h2o s LYS 68 Cb 0.03 -1.89 -0.05 0.00 -0.52 0.00 0.00 37.83 35.41 1h2o s LYS 68 CO 0.25 -0.83 0.28 -1.01 -0.92 0.00 0.00 175.35 173.11 1h2o s HIS 69 N 1.83 3.40 -0.36 3.18 3.76 0.12 -2.32 115.29 124.89 1h2o s HIS 69 Ca 0.05 0.49 -0.15 0.00 -0.15 0.00 0.00 55.06 55.30 1h2o s HIS 69 Cb -0.17 -2.36 -0.00 0.00 1.11 0.00 0.00 32.58 31.16 1h2o s HIS 69 CO -0.19 0.13 0.33 0.21 -0.85 0.00 0.00 174.74 174.37 1h2o s LYS 70 N 0.84 3.39 0.17 1.40 2.20 0.43 0.12 119.74 128.28 1h2o s LYS 70 Ca 0.14 -0.61 -0.32 0.00 -0.36 0.00 0.00 55.97 54.82 1h2o s LYS 70 Cb -0.13 -3.86 -0.17 0.00 -1.51 0.00 0.00 37.83 32.16 1h2o s LYS 70 CO 0.05 -0.59 0.92 -0.89 -0.36 0.00 0.00 175.35 174.48 1h2o n ILE 71 N 5.23 1.24 -0.07 5.43 2.08 0.19 0.99 119.36 134.44 1h2o n ILE 71 Ca -0.10 -0.31 -0.11 0.00 0.56 0.00 0.00 62.75 62.79 1h2o n ILE 71 Cb 0.49 -0.45 -0.06 0.00 -0.75 0.00 0.00 39.64 38.87 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 1.80 2.27 -3.56 4.38 2.03 0.74 -1.82 116.55 122.39 1h2o n ASP 72 Ca 0.16 0.02 -0.06 0.00 0.52 0.00 0.00 54.79 55.43 1h2o n ASP 72 Cb 0.23 -0.28 -0.02 0.00 -0.72 0.00 0.00 41.12 40.33 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 -5.63 -0.24 0.04 1.67 1.04 0.16 -4.78 113.70 105.95 1h2o s SER 73 Ca -0.18 -0.03 -0.13 0.00 0.48 0.00 0.00 55.95 56.08 1h2o s SER 73 Cb 0.06 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.48 1h2o s SER 73 CO 0.28 -0.47 0.29 -0.63 0.98 0.00 0.00 173.24 173.70 1h2o s ILE 74 N -2.81 0.08 -0.47 -1.02 1.09 -1.26 0.18 121.20 116.99 1h2o s ILE 74 Ca 0.08 -0.69 0.04 0.00 -1.10 0.00 0.00 60.65 58.98 1h2o s ILE 74 Cb -0.01 -0.90 0.17 0.00 -1.06 0.00 0.00 42.46 40.66 1h2o s ILE 74 CO -0.06 -0.38 0.37 0.47 -0.10 0.00 0.00 174.94 175.24 1h2o n ASP 75 N 0.67 0.19 0.16 3.58 8.00 0.14 -4.91 116.55 124.39 1h2o n ASP 75 Ca -0.19 -2.54 0.11 0.00 0.71 0.00 0.00 54.79 52.89 1h2o n ASP 75 Cb 0.59 -0.59 0.60 0.00 -0.02 0.00 0.00 41.12 41.69 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 2.66 0.14 -0.05 -1.24 5.02 -1.26 0.26 118.16 123.69 1h2o n LYS 76 Ca 0.28 0.64 -0.10 0.00 -2.02 0.00 0.00 58.31 57.11 1h2o n LYS 76 Cb 0.45 -1.97 -0.15 0.00 -0.02 0.00 0.00 35.03 33.35 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 -2.27 0.66 0.00 1.97 1.02 -1.26 -4.26 120.64 116.51 1h2o n GLU 77 Ca -0.01 0.19 0.07 0.00 -0.02 0.00 0.00 57.16 57.38 1h2o n GLU 77 Cb 0.04 -1.69 0.01 0.00 -0.02 0.00 0.00 31.44 29.77 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 -2.98 1.57 -2.78 1.62 3.02 -0.43 -5.00 115.26 110.28 1h2o n ASN 78 Ca -0.24 -1.28 -0.14 0.00 -0.03 0.00 0.00 54.58 52.89 1h2o n ASN 78 Cb 1.08 0.38 0.06 0.00 -0.61 0.00 0.00 39.78 40.70 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 -0.00 -1.75 -4.51 3.10 4.01 0.73 -4.12 117.16 114.62 1h2o n TYR 79 Ca 0.06 0.70 -0.30 0.00 -0.16 0.00 0.00 57.90 58.20 1h2o n TYR 79 Cb 0.29 -4.18 -0.12 0.00 -0.31 0.00 0.00 39.34 35.02 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 -3.79 3.78 -0.03 7.72 0.01 -0.96 -0.68 113.70 119.76 1h2o s SER 80 Ca 0.12 -0.51 -0.02 0.00 1.31 0.00 0.00 55.95 56.85 1h2o s SER 80 Cb -0.05 -0.55 0.01 0.00 0.21 0.00 0.00 66.02 65.64 1h2o s SER 80 CO 0.53 0.22 0.07 -0.47 0.41 0.00 0.00 173.24 174.00 1h2o s TYR 81 N -1.02 -0.07 -0.06 2.43 5.04 0.21 0.26 117.35 124.15 1h2o s TYR 81 Ca 0.16 0.18 -0.04 0.00 -2.44 0.00 0.00 57.07 54.93 1h2o s TYR 81 Cb -0.10 0.02 0.03 0.00 0.35 0.00 0.00 41.96 42.25 1h2o s TYR 81 CO 0.07 -0.04 0.14 -1.12 -1.34 0.00 0.00 175.55 173.27 1h2o s SER 82 N 0.05 -0.13 0.21 4.32 0.01 0.13 0.20 113.70 118.49 1h2o s SER 82 Ca -0.00 0.29 -0.04 0.00 1.31 0.00 0.00 55.95 57.51 1h2o s SER 82 Cb -0.01 0.24 -0.03 0.00 0.21 0.00 0.00 66.02 66.43 1h2o s SER 82 CO 0.00 -0.09 0.22 -0.72 0.41 0.00 0.00 173.24 173.05 1h2o s TYR 83 N 0.58 0.98 -0.10 2.43 1.13 0.15 0.26 117.35 122.79 1h2o s TYR 83 Ca -0.04 -1.23 0.01 0.00 -1.41 0.00 0.00 57.07 54.40 1h2o s TYR 83 Cb -0.06 -0.38 0.02 0.00 -1.10 0.00 0.00 41.96 40.44 1h2o s TYR 83 CO -0.03 -0.73 -0.13 0.99 -2.51 0.00 0.00 175.55 173.15 1h2o s THR 84 N -4.10 1.28 -0.15 -3.49 2.01 0.28 0.15 115.64 111.61 1h2o s THR 84 Ca 0.35 -0.51 -0.15 0.00 0.31 0.00 0.00 61.69 61.69 1h2o s THR 84 Cb 0.05 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 1h2o s THR 84 CO 0.12 0.40 0.34 -0.22 -0.69 0.00 0.00 174.62 174.56 1h2o s LEU 85 N 1.05 4.25 -0.15 4.42 2.96 0.23 0.16 118.68 131.61 1h2o s LEU 85 Ca -0.06 0.58 0.09 0.00 -0.22 0.00 0.00 54.13 54.52 1h2o s LEU 85 Cb -0.15 -2.45 -0.16 0.00 0.50 0.00 0.00 46.19 43.93 1h2o s LEU 85 CO -0.02 0.07 -0.01 2.30 -1.32 0.00 0.00 176.35 177.37 1h2o n ILE 86 N 3.63 0.98 -4.44 6.68 -5.35 -0.98 -0.75 119.36 119.13 1h2o n ILE 86 Ca -0.11 -0.53 -0.24 0.00 -0.27 0.00 0.00 62.75 61.60 1h2o n ILE 86 Cb 0.52 -0.77 -0.09 0.00 -1.74 0.00 0.00 39.64 37.55 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 -2.34 1.83 0.00 6.28 2.12 -1.25 -4.78 118.70 120.55 1h2o s GLU 87 Ca -0.12 -1.72 0.00 0.00 0.36 0.00 0.00 54.97 53.49 1h2o s GLU 87 Cb 0.05 -1.84 0.00 0.00 0.26 0.00 0.00 34.13 32.59 1h2o s GLU 87 CO 0.52 0.31 0.00 0.41 -0.54 0.00 0.00 175.26 175.96 1h2o n GLY 88 N -0.70 3.97 0.19 -1.50 0.00 -1.26 -3.26 105.19 102.63 1h2o n GLY 88 Ca -0.05 -0.87 0.06 0.00 0.00 0.00 0.00 46.02 45.16 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 1.02 1.61 3.58 -1.98 -2.87 116.42 117.78 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 0.35 -0.00 0.00 -2.88 0.00 0.00 179.24 176.71 1h2o h ALA 90 N 1.65 1.00 -0.15 -0.78 0.00 -1.96 -2.84 119.26 116.18 1h2o h ALA 90 Ca -0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1h2o h ALA 90 Cb 0.93 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1h2o h ALA 90 CO 0.05 0.00 -0.42 -0.07 0.00 0.00 0.00 179.25 178.81 1h2o h LEU 91 N 0.00 0.36 0.00 0.00 3.38 -1.83 -3.46 115.31 113.77 1h2o h LEU 91 Ca -0.00 -0.16 0.19 0.00 0.09 0.00 0.00 57.88 58.00 1h2o h LEU 91 Cb 0.51 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1h2o h LEU 91 CO 0.00 0.75 -0.25 0.61 0.09 0.00 0.00 178.44 179.64 1h2o n GLY 92 N -0.10 -0.91 0.00 0.83 0.00 -1.07 -0.71 105.19 103.23 1h2o n GLY 92 Ca -0.02 -0.56 0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.38 0.00 -0.12 1.61 8.00 -1.26 -3.57 116.55 116.84 1h2o n ASP 93 Ca 0.00 -1.19 -0.25 0.00 0.71 0.00 0.00 54.79 54.06 1h2o n ASP 93 Cb 0.32 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.31 1h2o n ASP 93 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1h2o n THR 94 N -0.84 1.54 -3.10 -3.53 -1.04 -1.22 -4.83 114.28 101.26 1h2o n THR 94 Ca 0.15 -0.18 -0.23 0.00 -2.04 0.00 0.00 64.05 61.75 1h2o n THR 94 Cb 0.07 -1.97 0.00 0.00 -1.82 0.00 0.00 70.33 66.61 1h2o n THR 94 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1h2o s LEU 95 N -7.71 3.76 0.00 -4.42 1.43 0.11 -2.18 118.68 109.67 1h2o s LEU 95 Ca -0.33 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 1h2o s LEU 95 Cb 0.09 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 43.10 1h2o s LEU 95 CO 0.55 -0.58 0.00 -0.62 0.23 0.00 0.00 176.35 175.94 1h2o n GLU 96 N -1.99 0.00 -2.77 1.70 1.02 -0.42 -4.52 120.64 113.66 1h2o n GLU 96 Ca -0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.75 1h2o n GLU 96 Cb 0.57 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.93 1h2o n GLU 96 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1h2o s LYS 97 N -0.02 4.77 -0.00 3.49 1.02 -1.16 -4.65 119.74 123.19 1h2o s LYS 97 Ca 0.00 1.43 0.04 0.00 0.02 0.00 0.00 55.97 57.46 1h2o s LYS 97 Cb 0.00 -3.14 -0.01 0.00 -0.52 0.00 0.00 37.83 34.15 1h2o s LYS 97 CO 0.00 0.45 -0.13 0.42 -0.92 0.00 0.00 175.35 175.18 1h2o s ILE 98 N -1.30 1.00 -0.08 2.17 -1.09 0.07 -1.30 121.20 120.67 1h2o s ILE 98 Ca 0.43 -0.60 0.03 0.00 -2.23 0.00 0.00 60.65 58.28 1h2o s ILE 98 Cb -0.24 -0.85 0.01 0.00 -1.58 0.00 0.00 42.46 39.80 1h2o s ILE 98 CO 0.29 0.24 -0.19 -0.44 -1.23 0.00 0.00 174.94 173.61 1h2o s SER 99 N -0.42 2.51 -0.05 3.58 0.01 -0.48 -0.60 113.70 118.25 1h2o s SER 99 Ca 0.04 -0.45 0.04 0.00 1.31 0.00 0.00 55.95 56.90 1h2o s SER 99 Cb -0.05 -1.15 -0.00 0.00 0.21 0.00 0.00 66.02 65.02 1h2o s SER 99 CO -0.00 0.11 -0.18 -0.31 0.41 0.00 0.00 173.24 173.26 1h2o s TYR 100 N 0.48 1.80 -0.04 2.43 2.02 0.40 0.12 117.35 124.56 1h2o s TYR 100 Ca -0.17 -0.54 0.01 0.00 -0.37 0.00 0.00 57.07 56.00 1h2o s TYR 100 Cb -0.17 -1.21 0.02 0.00 -0.40 0.00 0.00 41.96 40.19 1h2o s TYR 100 CO 0.07 -0.19 -0.05 -1.21 -1.57 0.00 0.00 175.55 172.60 1h2o s GLU 101 N 0.07 0.78 -0.00 -0.62 2.02 0.31 0.33 118.70 121.58 1h2o s GLU 101 Ca -0.05 -0.12 0.04 0.00 0.02 0.00 0.00 54.97 54.86 1h2o s GLU 101 Cb -0.12 -0.78 -0.01 0.00 0.10 0.00 0.00 34.13 33.31 1h2o s GLU 101 CO 0.03 -0.05 -0.13 0.99 0.02 0.00 0.00 175.26 176.12 1h2o s THR 102 N 0.76 1.01 -0.02 3.63 2.01 0.53 0.14 115.64 123.70 1h2o s THR 102 Ca -0.10 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.33 1h2o s THR 102 Cb -0.13 -0.85 -0.00 0.00 0.01 0.00 0.00 72.50 71.53 1h2o s THR 102 CO 0.00 0.25 -0.10 -0.54 -0.69 0.00 0.00 174.62 173.54 1h2o s LYS 103 N -0.40 0.96 0.13 4.92 1.02 0.38 0.68 119.74 127.42 1h2o s LYS 103 Ca 0.04 -0.35 0.09 0.00 0.02 0.00 0.00 55.97 55.78 1h2o s LYS 103 Cb -0.05 -0.90 -0.04 0.00 -0.52 0.00 0.00 37.83 36.32 1h2o s LYS 103 CO -0.00 0.17 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.90 1h2o s LEU 104 N 0.00 2.69 0.00 3.17 1.43 0.14 0.17 118.68 126.29 1h2o s LEU 104 Ca -0.00 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 1h2o s LEU 104 Cb -0.07 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.64 1h2o s LEU 104 CO 0.00 0.17 0.00 0.52 0.23 0.00 0.00 176.35 177.27 1h2o n VAL 105 N 0.70 0.00 -4.30 -1.59 0.31 0.36 -4.56 118.33 109.24 1h2o n VAL 105 Ca -0.15 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 63.98 1h2o n VAL 105 Cb 0.53 0.00 -0.11 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 1.83 0.40 3.52 0.00 -1.26 -1.36 121.76 123.44 1h2o s ALA 106 Ca 0.00 -1.46 0.07 0.00 0.00 0.00 0.00 51.96 50.58 1h2o s ALA 106 Cb 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 23.12 22.94 1h2o s ALA 106 CO 0.00 0.16 0.15 -1.54 0.00 0.00 0.00 175.76 174.52 1h2o s SER 107 N -2.72 4.36 0.04 0.00 1.04 -0.51 -4.53 113.70 111.37 1h2o s SER 107 Ca 0.15 -1.09 0.19 0.00 0.48 0.00 0.00 55.95 55.68 1h2o s SER 107 Cb -0.04 -0.48 0.81 0.00 0.10 0.00 0.00 66.02 66.40 1h2o s SER 107 CO 0.05 -0.50 1.61 -0.81 0.98 0.00 0.00 173.24 174.57 1h2o n PRO 108 N -1.19 0.03 -0.19 4.02 -0.04 -1.26 -2.41 135.00 133.96 1h2o n PRO 108 Ca -0.02 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.77 1h2o n PRO 108 Cb 0.65 -1.55 0.25 0.00 -0.04 0.00 0.00 33.50 32.80 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 -1.61 3.23 0.00 3.54 3.41 -1.26 -4.93 113.62 116.00 1h2o n SER 109 Ca 0.04 -1.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 1h2o n SER 109 Cb 0.22 -0.25 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 1.46 2.87 1.22 5.00 0.00 -1.01 -5.03 105.19 109.70 1h2o n GLY 110 Ca 0.19 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.38 2.99 -0.02 0.00 -1.26 -4.60 105.19 98.92 1h2o n GLY 111 Ca 0.00 -1.11 -0.18 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.26 0.96 0.17 1.61 1.04 0.59 -1.43 113.70 114.38 1h2o s SER 112 Ca 0.23 -0.15 -0.11 0.00 0.48 0.00 0.00 55.95 56.40 1h2o s SER 112 Cb -0.04 -0.17 -0.07 0.00 0.10 0.00 0.00 66.02 65.84 1h2o s SER 112 CO 0.19 0.08 0.52 -0.63 0.98 0.00 0.00 173.24 174.38 1h2o s ILE 113 N -0.03 4.94 -0.07 -1.02 1.01 -0.46 0.18 121.20 125.75 1h2o s ILE 113 Ca 0.01 0.59 -0.00 0.00 0.00 0.00 0.00 60.65 61.24 1h2o s ILE 113 Cb -0.05 -3.67 0.02 0.00 0.01 0.00 0.00 42.46 38.78 1h2o s ILE 113 CO -0.00 0.11 -0.03 -0.63 0.00 0.00 0.00 174.94 174.39 1h2o s ILE 114 N -1.61 0.60 -0.23 2.92 1.01 0.40 0.13 121.20 124.43 1h2o s ILE 114 Ca 0.41 -0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.94 1h2o s ILE 114 Cb -0.13 -0.68 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 1h2o s ILE 114 CO 0.20 0.28 0.03 -0.75 0.00 0.00 0.00 174.94 174.69 1h2o s LYS 115 N 1.55 3.60 0.16 2.79 2.20 0.46 -0.54 119.74 129.95 1h2o s LYS 115 Ca -0.01 -0.52 0.04 0.00 -0.36 0.00 0.00 55.97 55.13 1h2o s LYS 115 Cb -0.13 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 1h2o s LYS 115 CO -0.04 -0.12 0.17 0.45 -0.36 0.00 0.00 175.35 175.45 1h2o s SER 116 N 1.37 5.72 -0.07 1.43 0.15 0.44 0.14 113.70 122.88 1h2o s SER 116 Ca 0.05 -0.05 -0.28 0.00 0.70 0.00 0.00 55.95 56.36 1h2o s SER 116 Cb -0.15 -1.56 0.06 0.00 -1.71 0.00 0.00 66.02 62.67 1h2o s SER 116 CO 0.02 0.07 0.64 -0.89 1.20 0.00 0.00 173.24 174.28 1h2o s THR 117 N -1.73 0.01 0.08 6.45 2.01 0.37 -1.12 115.64 121.70 1h2o s THR 117 Ca 0.32 -0.05 -0.22 0.00 0.31 0.00 0.00 61.69 62.05 1h2o s THR 117 Cb -0.10 -0.95 0.05 0.00 0.01 0.00 0.00 72.50 71.51 1h2o s THR 117 CO 0.25 -0.03 0.53 -0.94 -0.69 0.00 0.00 174.62 173.74 1h2o s SER 118 N -1.02 -0.46 -0.01 3.53 1.04 0.43 0.11 113.70 117.32 1h2o s SER 118 Ca -0.10 0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.46 1h2o s SER 118 Cb -0.01 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1h2o s SER 118 CO 0.08 -0.78 -0.06 -1.00 0.98 0.00 0.00 173.24 172.46 1h2o s HIS 119 N -2.83 0.61 -0.11 5.02 3.76 0.32 -0.16 115.29 121.91 1h2o s HIS 119 Ca -0.03 -0.12 -0.04 0.00 -0.15 0.00 0.00 55.06 54.71 1h2o s HIS 119 Cb -0.00 -0.43 -0.04 0.00 1.11 0.00 0.00 32.58 33.22 1h2o s HIS 119 CO -0.05 -0.04 0.06 0.71 -0.85 0.00 0.00 174.74 174.57 1h2o s TYR 120 N 0.06 3.34 -0.50 1.40 1.51 0.10 -1.39 117.35 121.88 1h2o s TYR 120 Ca -0.00 0.32 0.04 0.00 -1.01 0.00 0.00 57.07 56.41 1h2o s TYR 120 Cb -0.05 -1.87 0.13 0.00 -0.11 0.00 0.00 41.96 40.06 1h2o s TYR 120 CO -0.00 0.55 0.25 -1.01 -1.11 0.00 0.00 175.55 174.23 1h2o s HIS 121 N -0.85 2.96 0.66 2.71 3.76 -0.42 -2.16 115.29 121.96 1h2o s HIS 121 Ca 0.13 -3.02 -0.14 0.00 -0.15 0.00 0.00 55.06 51.89 1h2o s HIS 121 Cb -0.12 -2.64 -0.00 0.00 1.11 0.00 0.00 32.58 30.94 1h2o s HIS 121 CO 0.03 -0.76 1.08 0.95 -0.85 0.00 0.00 174.74 175.19 1h2o s THR 122 N -0.11 3.59 0.04 1.30 -4.23 -1.18 -1.30 115.64 113.75 1h2o s THR 122 Ca 0.17 0.66 -0.01 0.00 -1.18 0.00 0.00 61.69 61.33 1h2o s THR 122 Cb -0.25 -3.22 -0.04 0.00 1.34 0.00 0.00 72.50 70.33 1h2o s THR 122 CO -0.00 -0.53 0.20 -0.75 -0.54 0.00 0.00 174.62 172.99 1h2o s LYS 123 N -4.40 3.41 7.73 3.99 2.20 -0.93 -4.82 119.74 126.92 1h2o s LYS 123 Ca 0.63 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.82 1h2o s LYS 123 Cb -0.17 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 1h2o s LYS 123 CO 0.45 0.62 0.00 0.41 -0.36 0.00 0.00 175.35 176.47 1h2o n GLY 124 N 0.47 3.00 2.21 5.54 0.00 -1.26 -3.93 105.19 111.22 1h2o n GLY 124 Ca -0.07 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 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 8.12 0.39 -4.48 1.61 5.15 -1.26 -5.09 115.26 119.70 1h2o n ASN 125 Ca 0.00 -2.73 -0.23 0.00 -0.60 0.00 0.00 54.58 51.02 1h2o n ASN 125 Cb 0.00 -0.64 -0.10 0.00 -0.53 0.00 0.00 39.78 38.51 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 -1.23 1.97 0.08 3.44 -7.23 -1.25 -5.15 120.40 111.02 1h2o s VAL 126 Ca 0.35 -2.19 0.04 0.00 -1.81 0.00 0.00 61.98 58.38 1h2o s VAL 126 Cb 0.16 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.57 1h2o s VAL 126 CO -0.11 -0.28 -0.12 -1.61 -0.31 0.00 0.00 175.10 172.67 1h2o s GLU 127 N -3.66 0.82 0.77 4.82 2.02 -1.26 -4.86 118.70 117.35 1h2o s GLU 127 Ca 0.30 -1.04 -0.08 0.00 0.02 0.00 0.00 54.97 54.17 1h2o s GLU 127 Cb 0.02 -0.68 0.10 0.00 0.10 0.00 0.00 34.13 33.67 1h2o s GLU 127 CO 0.14 0.13 1.09 0.42 0.02 0.00 0.00 175.26 177.07 1h2o s ILE 128 N -1.79 2.17 0.54 -1.63 1.09 -1.26 -5.10 121.20 115.22 1h2o s ILE 128 Ca 0.01 -0.22 0.04 0.00 -1.10 0.00 0.00 60.65 59.38 1h2o s ILE 128 Cb -0.07 -2.95 0.03 0.00 -1.06 0.00 0.00 42.46 38.41 1h2o s ILE 128 CO 0.01 0.00 0.31 -0.75 -0.10 0.00 0.00 174.94 174.41 1h2o s LYS 129 N -5.41 2.24 0.00 2.79 2.20 -1.26 -4.99 119.74 115.32 1h2o s LYS 129 Ca 0.64 -2.13 0.16 0.00 -0.36 0.00 0.00 55.97 54.27 1h2o s LYS 129 Cb -0.09 -1.95 0.82 0.00 -1.51 0.00 0.00 37.83 35.10 1h2o s LYS 129 CO 0.47 -0.58 1.54 0.39 -0.36 0.00 0.00 175.35 176.81 1h2o n GLU 130 N -1.66 1.19 -0.05 4.03 1.02 -1.26 -3.32 120.64 120.58 1h2o n GLU 130 Ca -0.06 -0.28 -0.11 0.00 -0.02 0.00 0.00 57.16 56.69 1h2o n GLU 130 Cb 0.65 -1.26 -0.15 0.00 -0.02 0.00 0.00 31.44 30.66 1h2o n GLU 130 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1h2o n GLU 131 N -0.46 0.66 0.05 3.49 2.13 -1.26 -2.99 120.64 122.27 1h2o n GLU 131 Ca 0.12 0.19 -0.17 0.00 0.66 0.00 0.00 57.16 57.96 1h2o n GLU 131 Cb 0.12 -1.68 -0.14 0.00 0.27 0.00 0.00 31.44 30.00 1h2o n GLU 131 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1h2o h HIS 132 N 0.01 0.43 0.07 4.31 2.76 -1.96 -2.98 115.15 117.79 1h2o h HIS 132 Ca -0.40 -0.32 -0.20 0.00 -2.20 0.00 0.00 60.37 57.25 1h2o h HIS 132 Cb 2.08 -0.02 0.02 0.00 1.55 0.00 0.00 27.41 31.05 1h2o h HIS 132 CO 0.01 1.43 -0.83 0.28 -1.30 0.00 0.00 177.93 177.52 1h2o h VAL 133 N 0.07 1.41 -0.38 5.26 2.07 -1.75 -2.75 116.25 120.18 1h2o h VAL 133 Ca -0.28 -2.31 -0.05 0.00 0.82 0.00 0.00 66.70 64.88 1h2o h VAL 133 Cb 2.03 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 34.58 1h2o h VAL 133 CO 0.14 0.68 0.04 0.50 0.02 0.00 0.00 177.57 178.95 1h2o h LYS 134 N -0.08 0.65 -0.62 1.57 3.64 -1.70 -2.60 116.57 117.43 1h2o h LYS 134 Ca -0.12 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 1h2o h LYS 134 Cb 1.57 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.29 1h2o h LYS 134 CO 0.16 0.72 0.26 0.00 -2.27 0.00 0.00 179.45 178.32 1h2o h ALA 135 N 0.90 1.30 -0.05 5.00 0.00 -1.62 -1.64 119.26 123.14 1h2o h ALA 135 Ca 0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1h2o h ALA 135 Cb 0.40 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1h2o h ALA 135 CO 0.01 0.53 -0.17 0.78 0.00 0.00 0.00 179.25 180.40 1h2o h GLY 136 N 0.98 0.09 1.84 0.00 0.00 -1.24 -1.78 103.07 102.96 1h2o h GLY 136 Ca 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 1h2o h GLY 136 CO -0.02 0.05 -0.00 0.50 0.00 0.00 0.00 176.54 177.07 1h2o h LYS 137 N 0.08 0.21 0.16 4.80 1.57 -0.91 0.51 116.57 122.99 1h2o h LYS 137 Ca 0.02 -0.03 -0.31 0.00 -1.87 0.00 0.00 60.65 58.46 1h2o h LYS 137 Cb 0.36 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.64 1h2o h LYS 137 CO 0.02 0.24 -1.47 0.93 -0.57 0.00 0.00 179.45 178.60 1h2o h GLU 138 N 0.21 0.34 -0.02 3.15 4.39 -1.33 -1.03 114.58 120.29 1h2o h GLU 138 Ca 0.05 -0.58 -0.11 0.00 0.34 0.00 0.00 59.36 59.06 1h2o h GLU 138 Cb 0.15 0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1h2o h GLU 138 CO 0.00 1.24 -0.52 0.87 -1.16 0.00 0.00 179.01 179.44 1h2o h LYS 139 N 0.09 0.05 0.12 2.33 1.57 -1.00 -0.45 116.57 119.28 1h2o h LYS 139 Ca -0.23 -0.03 -0.34 0.00 -1.87 0.00 0.00 60.65 58.18 1h2o h LYS 139 Cb 2.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.35 1h2o h LYS 139 CO 0.20 0.56 -1.83 0.00 -0.57 0.00 0.00 179.45 177.80 1h2o h ALA 140 N 1.44 0.41 0.12 3.86 0.00 -0.99 -3.21 119.26 120.89 1h2o h ALA 140 Ca -0.00 -1.32 -0.01 0.00 0.00 0.00 0.00 54.91 53.59 1h2o h ALA 140 Cb 0.93 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1h2o h ALA 140 CO 0.07 1.28 -0.06 0.77 0.00 0.00 0.00 179.25 181.31 1h2o h SER 141 N 0.07 -0.13 -0.76 0.00 0.02 -1.18 -2.54 113.55 109.03 1h2o h SER 141 Ca -0.36 -0.41 0.10 0.00 -0.84 0.00 0.00 61.79 60.28 1h2o h SER 141 Cb 2.04 0.03 -0.07 0.00 0.14 0.00 0.00 62.40 64.54 1h2o h SER 141 CO 0.12 0.40 0.40 0.78 -1.14 0.00 0.00 176.83 177.38 1h2o h ASN 142 N -0.72 0.53 -0.74 3.07 2.35 -1.27 -1.02 115.58 117.80 1h2o h ASN 142 Ca -0.02 0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1h2o h ASN 142 Cb 0.54 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.83 1h2o h ASN 142 CO 0.03 0.30 0.48 0.25 -1.65 0.00 0.00 177.43 176.84 1h2o h LEU 143 N 0.66 0.83 -1.10 1.61 5.85 -1.57 -1.58 115.31 120.01 1h2o h LEU 143 Ca 0.37 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.19 1h2o h LEU 143 Cb 0.39 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 1h2o h LEU 143 CO -0.27 0.59 0.61 -0.26 -0.34 0.00 0.00 178.44 178.78 1h2o h PHE 144 N 0.98 1.06 0.00 1.25 0.04 -0.75 0.39 116.94 119.91 1h2o h PHE 144 Ca 0.28 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.08 1h2o h PHE 144 Cb -0.09 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 37.72 1h2o h PHE 144 CO -0.02 0.45 0.00 -0.22 -0.60 0.00 0.00 178.31 177.91 1h2o h LYS 145 N 0.95 0.00 0.13 1.51 3.64 -0.92 -2.79 116.57 119.08 1h2o h LYS 145 Ca 0.46 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.56 1h2o h LYS 145 Cb 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1h2o h LYS 145 CO -0.22 0.00 -1.30 -0.07 -2.27 0.00 0.00 179.45 175.58 1h2o h LEU 146 N 0.00 0.42 0.09 5.20 3.38 0.35 -2.44 115.31 122.31 1h2o h LEU 146 Ca 0.00 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 1h2o h LEU 146 Cb 0.55 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1h2o h LEU 146 CO 0.00 1.38 -0.04 0.40 0.09 0.00 0.00 178.44 180.26 1h2o h ILE 147 N 0.07 1.14 -0.93 1.22 2.04 -1.19 -0.17 117.51 119.69 1h2o h ILE 147 Ca -0.16 -0.94 0.08 0.00 1.00 0.00 0.00 64.86 64.84 1h2o h ILE 147 Cb 1.98 1.73 -0.07 0.00 -0.74 0.00 0.00 36.82 39.73 1h2o h ILE 147 CO 0.20 0.23 0.58 -0.33 0.00 0.00 0.00 178.15 178.83 1h2o h GLU 148 N -0.56 1.00 -0.46 2.37 5.08 -1.60 -1.51 114.58 118.89 1h2o h GLU 148 Ca -0.01 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1h2o h GLU 148 Cb 0.46 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1h2o h GLU 148 CO 0.02 0.66 -0.07 1.15 -1.00 0.00 0.00 179.01 179.77 1h2o h THR 149 N 1.03 1.27 -0.50 1.13 2.02 -1.34 0.41 112.91 116.92 1h2o h THR 149 Ca 0.42 -1.17 0.06 0.00 0.77 0.00 0.00 66.41 66.49 1h2o h THR 149 Cb 0.25 1.08 -0.05 0.00 -1.74 0.00 0.00 68.15 67.69 1h2o h THR 149 CO -0.20 0.40 0.22 0.22 0.37 0.00 0.00 175.52 176.53 1h2o h TYR 150 N 0.71 0.39 0.00 3.16 3.20 -0.05 0.32 116.97 124.70 1h2o h TYR 150 Ca 0.12 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.83 1h2o h TYR 150 Cb 0.60 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 1h2o h TYR 150 CO 0.05 0.16 -0.91 -0.07 -1.64 0.00 0.00 178.16 175.75 1h2o h LEU 151 N 0.42 0.00 -0.85 2.82 3.38 -1.22 0.45 115.31 120.32 1h2o h LEU 151 Ca 0.23 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 1h2o h LEU 151 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1h2o h LEU 151 CO -0.20 0.90 -0.49 0.50 0.09 0.00 0.00 178.44 179.23 1h2o h LYS 152 N 0.00 0.00 0.00 1.13 3.64 0.49 -3.27 116.57 118.56 1h2o h LYS 152 Ca -0.01 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.02 1h2o h LYS 152 Cb 1.69 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.45 1h2o h LYS 152 CO 0.12 0.49 -2.32 0.41 -2.27 0.00 0.00 179.45 175.88 1h2o n GLY 153 N 0.23 -0.71 3.20 5.01 0.00 0.11 -4.75 105.19 108.27 1h2o n GLY 153 Ca -0.01 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.46 3.53 -2.00 1.61 3.76 0.16 -4.90 115.29 114.99 1h2o s HIS 154 Ca -0.18 -2.28 0.04 0.00 -0.15 0.00 0.00 55.06 52.49 1h2o s HIS 154 Cb 0.07 -3.48 0.23 0.00 1.11 0.00 0.00 32.58 30.51 1h2o s HIS 154 CO 0.69 -0.93 0.86 -0.35 -0.85 0.00 0.00 174.74 174.17 1h2o n PRO 155 N 3.96 0.68 -0.02 8.40 -0.04 -1.25 -2.53 135.00 144.20 1h2o n PRO 155 Ca 0.06 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.57 1h2o n PRO 155 Cb 0.42 -1.09 0.05 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.59 1.90 -4.55 3.54 8.00 -1.26 -4.64 116.55 118.94 1h2o n ASP 156 Ca 0.03 -1.47 -0.40 0.00 0.71 0.00 0.00 54.79 53.67 1h2o n ASP 156 Cb 0.01 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 1h2o n ASP 156 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h2o s ALA 157 N -0.79 2.44 -1.31 2.24 0.00 -1.05 -4.05 121.76 119.24 1h2o s ALA 157 Ca 0.12 -0.83 -0.17 0.00 0.00 0.00 0.00 51.96 51.09 1h2o s ALA 157 Cb 0.08 -4.26 0.17 0.00 0.00 0.00 0.00 23.12 19.11 1h2o s ALA 157 CO 0.11 -3.57 0.42 2.48 0.00 0.00 0.00 175.76 175.21 1h2o n TYR 158 N 11.33 -0.87 -1.05 0.00 0.18 -1.26 -4.99 117.16 120.50 1h2o n TYR 158 Ca 0.15 0.48 0.00 0.00 1.88 0.00 0.00 57.90 60.40 1h2o n TYR 158 Cb 0.51 -1.32 0.00 0.00 -0.38 0.00 0.00 39.34 38.14 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07