#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 1.20 0.51 1.61 1.01 -1.26 -3.52 120.40 119.95 1h2o s VAL 2 Ca 0.00 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 1h2o s VAL 2 Cb 0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 1h2o s VAL 2 CO 0.00 0.38 0.81 -0.36 0.00 0.00 0.00 175.10 175.93 1h2o s PHE 3 N 0.98 3.48 -0.35 5.22 0.40 -0.82 -4.85 117.98 122.04 1h2o s PHE 3 Ca -0.08 0.75 -0.01 0.00 -0.60 0.00 0.00 56.93 57.00 1h2o s PHE 3 Cb -0.15 -2.41 0.13 0.00 0.51 0.00 0.00 43.02 41.10 1h2o s PHE 3 CO -0.00 -0.42 0.19 0.99 0.70 0.00 0.00 175.22 176.68 1h2o s THR 4 N -2.80 0.25 -0.17 0.64 2.01 -1.26 -3.01 115.64 111.30 1h2o s THR 4 Ca 0.49 -1.61 -0.03 0.00 0.31 0.00 0.00 61.69 60.85 1h2o s THR 4 Cb -0.10 -1.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 1h2o s THR 4 CO 0.45 -0.92 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.10 1h2o s TYR 5 N 1.21 2.97 0.08 4.92 2.02 -0.37 -4.95 117.35 123.23 1h2o s TYR 5 Ca 0.16 -0.53 0.04 0.00 -0.37 0.00 0.00 57.07 56.37 1h2o s TYR 5 Cb -0.22 -2.00 -0.03 0.00 -0.40 0.00 0.00 41.96 39.31 1h2o s TYR 5 CO -0.07 -0.22 -0.11 -1.83 -1.57 0.00 0.00 175.55 171.74 1h2o s GLU 6 N 0.74 0.78 -0.02 -0.62 -1.05 -1.26 0.31 118.70 117.59 1h2o s GLU 6 Ca -0.02 -1.01 0.04 0.00 -0.15 0.00 0.00 54.97 53.83 1h2o s GLU 6 Cb -0.15 -0.62 -0.01 0.00 -0.44 0.00 0.00 34.13 32.91 1h2o s GLU 6 CO 0.02 0.12 -0.13 -1.12 0.95 0.00 0.00 175.26 175.10 1h2o s SER 7 N -2.01 1.55 -0.06 0.83 0.01 -0.23 -4.96 113.70 108.84 1h2o s SER 7 Ca -0.00 -0.24 0.03 0.00 1.31 0.00 0.00 55.95 57.04 1h2o s SER 7 Cb -0.07 -0.24 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 1h2o s SER 7 CO 0.01 0.15 -0.12 -0.70 0.41 0.00 0.00 173.24 172.99 1h2o s GLU 8 N -0.19 2.58 0.20 12.44 2.12 -1.26 -1.33 118.70 133.26 1h2o s GLU 8 Ca 0.03 -0.65 -0.05 0.00 0.36 0.00 0.00 54.97 54.66 1h2o s GLU 8 Cb -0.06 -2.45 0.02 0.00 0.26 0.00 0.00 34.13 31.90 1h2o s GLU 8 CO -0.00 0.63 0.36 1.97 -0.54 0.00 0.00 175.26 177.69 1h2o n PHE 9 N 2.29 -1.47 -4.24 5.30 -1.74 0.12 -5.00 117.46 112.72 1h2o n PHE 9 Ca -0.17 -1.09 -0.16 0.00 -0.56 0.00 0.00 57.45 55.47 1h2o n PHE 9 Cb 0.52 0.42 -0.09 0.00 1.52 0.00 0.00 39.48 41.86 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 -2.56 0.01 -0.27 1.97 -4.23 -1.26 0.14 115.64 109.44 1h2o s THR 10 Ca 0.11 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.49 1h2o s THR 10 Cb -0.02 -2.50 0.09 0.00 1.34 0.00 0.00 72.50 71.41 1h2o s THR 10 CO 0.08 0.00 0.63 -0.94 -0.54 0.00 0.00 174.62 173.86 1h2o s SER 11 N -3.27 -0.91 0.32 3.99 1.04 0.17 -4.86 113.70 110.19 1h2o s SER 11 Ca 0.40 1.43 0.05 0.00 0.48 0.00 0.00 55.95 58.31 1h2o s SER 11 Cb 0.05 1.51 0.68 0.00 0.10 0.00 0.00 66.02 68.35 1h2o s SER 11 CO 0.20 -0.23 1.87 -0.33 0.98 0.00 0.00 173.24 175.73 1h2o h GLU 12 N 7.28 0.83 -7.06 4.02 5.08 -1.91 0.82 114.58 123.64 1h2o h GLU 12 Ca -0.28 -0.05 -0.56 0.00 -1.00 0.00 0.00 59.36 57.47 1h2o h GLU 12 Cb 1.19 -0.19 0.16 0.00 0.50 0.00 0.00 28.75 30.42 1h2o h GLU 12 CO 0.16 0.55 0.43 -0.89 -1.00 0.00 0.00 179.01 178.26 1h2o n ILE 13 N -4.56 4.60 -2.09 3.13 -0.00 -1.26 -4.27 119.36 114.91 1h2o n ILE 13 Ca 0.17 -0.48 -0.40 0.00 -0.00 0.00 0.00 62.75 62.04 1h2o n ILE 13 Cb 0.37 -1.41 -0.01 0.00 -0.00 0.00 0.00 39.64 38.58 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 -3.31 4.05 0.25 0.38 0.04 -1.26 -4.00 135.00 131.14 1h2o s PRO 14 Ca 0.81 2.14 0.08 0.00 0.04 0.00 0.00 61.00 64.07 1h2o s PRO 14 Cb -0.38 -2.81 0.30 0.00 0.04 0.00 0.00 34.50 31.65 1h2o s PRO 14 CO 0.42 -0.42 1.58 -1.00 0.04 0.00 0.00 177.00 177.62 1h2o h PRO 15 N 2.80 0.10 0.00 0.56 0.13 -1.90 -2.73 132.00 130.97 1h2o h PRO 15 Ca -0.49 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 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 0.00 -1.00 -0.23 0.00 0.00 178.00 178.09 1h2o h PRO 16 N 0.07 0.00 0.05 1.56 0.13 -1.96 0.10 132.00 131.96 1h2o h PRO 16 Ca -0.01 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.98 1h2o h PRO 16 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1h2o h PRO 16 CO 0.09 0.00 -0.74 -0.09 -0.23 0.00 0.00 178.00 177.03 1h2o h ARG 17 N 0.00 0.11 -0.13 0.86 2.43 -1.88 -2.75 114.38 113.02 1h2o h ARG 17 Ca 0.00 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 58.90 1h2o h ARG 17 Cb 0.63 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1h2o h ARG 17 CO 0.00 1.09 -0.32 1.25 -1.51 0.00 0.00 179.97 180.48 1h2o h LEU 18 N -0.73 0.25 0.32 3.80 6.46 -1.44 -2.74 115.31 121.23 1h2o h LEU 18 Ca -0.17 -0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.48 1h2o h LEU 18 Cb 1.35 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.22 1h2o h LEU 18 CO -0.01 0.57 -0.15 0.15 -0.62 0.00 0.00 178.44 178.38 1h2o h PHE 19 N 0.22 -0.40 -0.94 1.25 3.57 -0.89 0.48 116.94 120.24 1h2o h PHE 19 Ca 0.03 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 61.73 1h2o h PHE 19 Cb 0.68 0.13 -0.11 0.00 2.79 0.00 0.00 35.95 39.44 1h2o h PHE 19 CO 0.01 -0.12 0.50 0.87 -2.23 0.00 0.00 178.31 177.33 1h2o h LYS 20 N -0.64 0.55 0.02 1.11 1.57 -1.37 0.16 116.57 117.96 1h2o h LYS 20 Ca -0.04 -0.03 -0.21 0.00 -1.87 0.00 0.00 60.65 58.49 1h2o h LYS 20 Cb 0.46 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1h2o h LYS 20 CO 0.07 0.36 -0.94 0.00 -0.57 0.00 0.00 179.45 178.38 1h2o h ALA 21 N 1.67 0.43 -0.03 3.86 0.00 -1.18 1.55 119.26 125.57 1h2o h ALA 21 Ca 0.57 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1h2o h ALA 21 Cb 0.99 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1h2o h ALA 21 CO -0.45 0.92 -0.05 0.35 0.00 0.00 0.00 179.25 180.01 1h2o h PHE 22 N 0.13 0.10 0.00 0.00 3.57 0.25 -0.98 116.94 120.00 1h2o h PHE 22 Ca -0.06 -0.04 -0.35 0.00 3.53 0.00 0.00 57.97 61.05 1h2o h PHE 22 Cb 1.58 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 40.25 1h2o h PHE 22 CO 0.04 0.64 -2.19 0.28 -2.23 0.00 0.00 178.31 174.85 1h2o n VAL 23 N -4.74 1.16 1.24 1.41 0.31 0.30 -3.77 118.33 114.25 1h2o n VAL 23 Ca -0.08 -0.31 0.13 0.00 -0.01 0.00 0.00 64.34 64.07 1h2o n VAL 23 Cb 0.32 -1.75 0.66 0.00 -0.91 0.00 0.00 33.84 32.16 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 -3.89 0.00 -2.74 7.52 4.32 -0.18 -4.07 117.00 117.95 1h2o n LEU 24 Ca -0.41 0.27 -0.09 0.00 -0.02 0.00 0.00 56.01 55.76 1h2o n LEU 24 Cb 0.80 -0.27 0.09 0.00 -1.62 0.00 0.00 43.42 42.42 1h2o n LEU 24 CO 0.04 -0.04 0.34 0.47 -1.22 0.00 0.00 177.39 176.98 1h2o n ASP 25 N -1.27 -1.67 0.00 -1.43 8.00 0.51 -4.84 116.55 115.85 1h2o n ASP 25 Ca 0.13 -3.05 0.12 0.00 0.71 0.00 0.00 54.79 52.69 1h2o n ASP 25 Cb 0.20 1.19 0.17 0.00 -0.02 0.00 0.00 41.12 42.66 1h2o n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h2o n ALA 26 N -0.09 3.79 0.26 2.24 0.00 -0.38 -3.09 120.51 123.24 1h2o n ALA 26 Ca 0.04 -0.40 0.15 0.00 0.00 0.00 0.00 53.44 53.23 1h2o n ALA 26 Cb 0.77 -1.05 0.51 0.00 0.00 0.00 0.00 19.45 19.69 1h2o n ALA 26 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1h2o h ASP 27 N 0.00 0.00 0.00 0.00 3.58 -1.90 -3.20 116.42 114.91 1h2o h ASP 27 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1h2o h ASP 27 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1h2o h ASP 27 CO 0.00 0.02 -0.09 -0.46 -2.88 0.00 0.00 179.24 175.84 1h2o n ASN 28 N -3.11 1.23 -0.12 2.28 0.23 -1.25 -4.53 115.26 109.98 1h2o n ASN 28 Ca 0.02 -2.00 -0.25 0.00 -0.53 0.00 0.00 54.58 51.82 1h2o n ASN 28 Cb 0.38 -0.13 -0.11 0.00 -2.08 0.00 0.00 39.78 37.84 1h2o n ASN 28 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1h2o n LEU 29 N -0.51 2.31 -0.00 -4.53 7.99 -1.18 -4.15 117.00 116.94 1h2o n LEU 29 Ca 0.04 0.19 -0.13 0.00 -0.01 0.00 0.00 56.01 56.10 1h2o n LEU 29 Cb 0.48 -0.89 -0.14 0.00 -0.11 0.00 0.00 43.42 42.77 1h2o n LEU 29 CO 0.00 0.68 -0.55 -0.37 -1.51 0.00 0.00 177.39 175.64 1h2o h VAL 30 N -0.61 0.85 -0.01 4.08 -1.51 -1.86 -2.29 116.25 114.90 1h2o h VAL 30 Ca -0.61 -2.64 0.00 0.00 -1.23 0.00 0.00 66.70 62.22 1h2o h VAL 30 Cb 1.70 2.50 0.00 0.00 -2.13 0.00 0.00 31.29 33.36 1h2o h VAL 30 CO -0.26 0.65 0.00 -0.81 -1.23 0.00 0.00 177.57 175.92 1h2o n PRO 31 N -3.22 1.02 0.00 5.19 -0.04 -1.26 -2.66 135.00 134.02 1h2o n PRO 31 Ca -0.20 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 1h2o n PRO 31 Cb 1.05 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.38 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 -0.60 1.08 0.08 0.54 4.81 -1.25 -4.73 118.16 118.10 1h2o n LYS 32 Ca 0.06 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.28 1h2o n LYS 32 Cb 0.03 -0.70 -0.15 0.00 0.02 0.00 0.00 35.03 34.23 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 1.43 -1.66 3.15 2.04 -1.49 -3.44 117.51 117.54 1h2o h ILE 33 Ca 0.00 -2.59 -0.22 0.00 1.00 0.00 0.00 64.86 63.04 1h2o h ILE 33 Cb 0.40 3.15 -0.28 0.00 -0.74 0.00 0.00 36.82 39.36 1h2o h ILE 33 CO 0.00 0.75 -0.57 0.00 0.00 0.00 0.00 178.15 178.33 1h2o s ALA 34 N -2.49 -1.16 -2.00 1.87 0.00 -1.09 -4.98 121.76 111.91 1h2o s ALA 34 Ca -0.12 -0.15 0.10 0.00 0.00 0.00 0.00 51.96 51.80 1h2o s ALA 34 Cb 0.02 -2.18 0.61 0.00 0.00 0.00 0.00 23.12 21.57 1h2o s ALA 34 CO 0.87 -1.95 1.27 -0.35 0.00 0.00 0.00 175.76 175.60 1h2o n PRO 35 N 4.87 0.85 0.00 0.00 -0.04 -1.25 -3.08 135.00 136.35 1h2o n PRO 35 Ca 0.06 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 1h2o n PRO 35 Cb 0.49 -1.19 0.28 0.00 -0.04 0.00 0.00 33.50 33.04 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 -0.69 0.09 -0.10 0.54 6.02 -1.26 -4.21 117.38 117.76 1h2o n GLN 36 Ca 0.08 -0.05 -0.16 0.00 -0.01 0.00 0.00 57.00 56.86 1h2o n GLN 36 Cb 0.04 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.70 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 -1.41 1.56 -3.74 -1.58 0.00 -1.18 -4.77 120.51 109.39 1h2o n ALA 37 Ca 0.06 -0.88 -0.22 0.00 0.00 0.00 0.00 53.44 52.40 1h2o n ALA 37 Cb 0.34 0.06 -0.17 0.00 0.00 0.00 0.00 19.45 19.67 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 -2.41 0.28 0.53 0.00 1.09 -1.26 -4.43 121.20 115.01 1h2o s ILE 38 Ca -0.28 0.17 0.22 0.00 -1.10 0.00 0.00 60.65 59.65 1h2o s ILE 38 Cb 0.08 -0.45 0.35 0.00 -1.06 0.00 0.00 42.46 41.38 1h2o s ILE 38 CO 0.46 0.24 2.06 0.50 -0.10 0.00 0.00 174.94 178.10 1h2o h LYS 39 N 8.23 0.00 0.00 2.79 3.64 0.32 -3.42 116.57 128.12 1h2o h LYS 39 Ca -0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1h2o h LYS 39 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1h2o h LYS 39 CO 0.26 0.00 0.00 1.58 -2.27 0.00 0.00 179.45 179.02 1h2o n HIS 40 N -4.43 0.00 -3.96 1.91 -0.00 -1.16 -4.89 115.22 102.68 1h2o n HIS 40 Ca 0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.67 1h2o n HIS 40 Cb 0.40 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.28 1h2o n HIS 40 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1h2o s SER 41 N 0.00 0.21 -0.25 0.26 0.01 -1.26 0.50 113.70 113.17 1h2o s SER 41 Ca 0.00 -0.42 -0.03 0.00 1.31 0.00 0.00 55.95 56.81 1h2o s SER 41 Cb 0.00 0.08 0.14 0.00 0.21 0.00 0.00 66.02 66.45 1h2o s SER 41 CO 0.00 -0.25 0.42 -0.70 0.41 0.00 0.00 173.24 173.12 1h2o s GLU 42 N -1.24 0.38 0.26 12.44 2.56 -1.02 -4.92 118.70 127.17 1h2o s GLU 42 Ca -0.13 0.67 -0.31 0.00 0.00 0.00 0.00 54.97 55.20 1h2o s GLU 42 Cb -0.08 -0.21 -0.12 0.00 2.00 0.00 0.00 34.13 35.72 1h2o s GLU 42 CO -0.01 -0.59 1.64 0.42 -0.56 0.00 0.00 175.26 176.16 1h2o s ILE 43 N 2.61 2.07 -0.10 -3.70 1.01 -1.26 -1.23 121.20 120.60 1h2o s ILE 43 Ca 0.12 0.05 0.12 0.00 0.00 0.00 0.00 60.65 60.95 1h2o s ILE 43 Cb -0.15 -3.03 -0.18 0.00 0.01 0.00 0.00 42.46 39.11 1h2o s ILE 43 CO -0.16 0.01 0.12 0.18 0.00 0.00 0.00 174.94 175.08 1h2o n LEU 44 N 2.89 0.00 -4.37 2.97 4.77 0.55 -4.85 117.00 118.97 1h2o n LEU 44 Ca 0.11 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.90 1h2o n LEU 44 Cb 0.37 0.22 -0.10 0.00 -2.33 0.00 0.00 43.42 41.58 1h2o n LEU 44 CO 0.64 0.22 -0.42 0.26 -1.33 0.00 0.00 177.39 176.76 1h2o s TRP 45 N -2.50 1.79 0.00 -1.77 0.52 -0.79 -4.84 118.94 111.34 1h2o s TRP 45 Ca -0.06 -0.60 0.00 0.00 0.02 0.00 0.00 56.10 55.46 1h2o s TRP 45 Cb 0.05 -0.88 0.00 0.00 -1.15 0.00 0.00 33.47 31.50 1h2o s TRP 45 CO 0.54 0.35 0.00 0.41 0.02 0.00 0.00 176.95 178.27 1h2o n GLY 46 N -0.44 2.18 0.46 0.98 0.00 -1.26 -3.25 105.19 103.86 1h2o n GLY 46 Ca -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1h2o n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1h2o n ASP 47 N 0.21 0.00 0.00 1.61 2.03 -1.26 -4.96 116.55 114.18 1h2o n ASP 47 Ca 0.00 -1.24 0.00 0.00 0.52 0.00 0.00 54.79 54.07 1h2o n ASP 47 Cb 0.00 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 1h2o n ASP 47 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1h2o n GLY 48 N 0.00 1.79 0.92 0.27 0.00 -1.26 -5.11 105.19 101.80 1h2o n GLY 48 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.47 3.71 -0.02 0.00 -1.26 -4.86 105.19 100.28 1h2o n GLY 49 Ca 0.00 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 1h2o n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h2o s PRO 50 N -3.65 4.40 0.00 1.61 0.04 -1.26 -2.66 135.00 133.47 1h2o s PRO 50 Ca 0.19 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1h2o s PRO 50 Cb -0.02 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1h2o s PRO 50 CO 0.14 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.27 1h2o n GLY 51 N 3.29 0.70 3.75 0.56 0.00 0.15 -4.98 105.19 108.68 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 -2.15 2.83 -0.08 2.61 2.01 -1.09 -4.68 115.64 115.09 1h2o s THR 52 Ca 0.00 0.27 -0.01 0.00 0.31 0.00 0.00 61.69 62.26 1h2o s THR 52 Cb 0.00 -2.85 0.03 0.00 0.01 0.00 0.00 72.50 69.68 1h2o s THR 52 CO 0.00 -0.35 -0.03 -0.63 -0.69 0.00 0.00 174.62 172.92 1h2o s ILE 53 N -3.02 0.62 -0.17 1.82 1.01 -1.20 0.80 121.20 121.06 1h2o s ILE 53 Ca 0.62 -0.04 -0.06 0.00 0.00 0.00 0.00 60.65 61.17 1h2o s ILE 53 Cb -0.17 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 1h2o s ILE 53 CO 0.56 0.29 0.05 -0.54 0.00 0.00 0.00 174.94 175.30 1h2o s LYS 54 N 1.78 3.83 -0.71 2.79 1.02 0.27 0.21 119.74 128.92 1h2o s LYS 54 Ca 0.03 -0.36 -0.13 0.00 0.02 0.00 0.00 55.97 55.54 1h2o s LYS 54 Cb -0.13 -3.14 0.18 0.00 -0.52 0.00 0.00 37.83 34.23 1h2o s LYS 54 CO -0.06 0.34 0.64 0.21 -0.92 0.00 0.00 175.35 175.56 1h2o s LYS 55 N 0.17 3.26 0.38 1.68 2.20 -0.37 0.64 119.74 127.72 1h2o s LYS 55 Ca 0.04 -2.24 -0.23 0.00 -0.36 0.00 0.00 55.97 53.18 1h2o s LYS 55 Cb -0.12 -4.29 -0.10 0.00 -1.51 0.00 0.00 37.83 31.80 1h2o s LYS 55 CO 0.01 -1.28 0.95 0.42 -0.36 0.00 0.00 175.35 175.08 1h2o s ILE 56 N 0.58 4.30 0.13 5.43 1.01 -0.45 -2.43 121.20 129.77 1h2o s ILE 56 Ca 0.13 1.65 0.09 0.00 0.00 0.00 0.00 60.65 62.53 1h2o s ILE 56 Cb -0.17 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 1h2o s ILE 56 CO -0.05 -0.10 -0.19 0.42 0.00 0.00 0.00 174.94 175.02 1h2o s THR 57 N -1.91 2.79 -0.16 2.92 -4.23 0.18 0.67 115.64 115.90 1h2o s THR 57 Ca 0.56 -1.57 -0.01 0.00 -1.18 0.00 0.00 61.69 59.49 1h2o s THR 57 Cb -0.14 -2.29 -0.01 0.00 1.34 0.00 0.00 72.50 71.41 1h2o s THR 57 CO 0.18 0.07 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.86 1h2o s PHE 58 N -1.21 2.85 -0.52 3.99 0.08 0.73 0.25 117.98 124.15 1h2o s PHE 58 Ca 0.18 -0.77 -0.04 0.00 0.12 0.00 0.00 56.93 56.42 1h2o s PHE 58 Cb -0.10 -1.92 0.09 0.00 -0.57 0.00 0.00 43.02 40.52 1h2o s PHE 58 CO 0.10 -0.33 2.70 0.41 -0.10 0.00 0.00 175.22 178.00 1h2o n GLY 59 N 3.91 4.48 0.20 4.36 0.00 -1.26 -4.07 105.19 112.81 1h2o n GLY 59 Ca -0.18 -1.95 0.08 0.00 0.00 0.00 0.00 46.02 43.97 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 3.06 0.00 0.00 1.61 5.08 -1.88 -3.47 114.58 118.98 1h2o h GLU 60 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1h2o h GLU 60 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1h2o h GLU 60 CO 0.94 0.30 0.00 0.41 -1.00 0.00 0.00 179.01 179.67 1h2o n GLY 61 N 0.18 -0.59 0.14 -3.84 0.00 -1.26 -5.01 105.19 94.82 1h2o n GLY 61 Ca -0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 1h2o n GLY 61 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1h2o h SER 62 N 0.00 -0.23 -2.09 1.61 0.87 -1.96 -3.44 113.55 108.31 1h2o h SER 62 Ca 0.00 -0.04 -0.61 0.00 -1.23 0.00 0.00 61.79 59.91 1h2o h SER 62 Cb 0.00 0.06 0.16 0.00 -0.44 0.00 0.00 62.40 62.18 1h2o h SER 62 CO 0.00 -0.11 -0.78 0.00 -0.53 0.00 0.00 176.83 175.41 1h2o n GLN 63 N -5.18 0.21 -2.97 2.24 6.02 -1.26 -4.85 117.38 111.59 1h2o n GLN 63 Ca -0.09 0.08 -0.42 0.00 -0.01 0.00 0.00 57.00 56.56 1h2o n GLN 63 Cb 0.15 -1.22 -0.05 0.00 1.02 0.00 0.00 30.24 30.14 1h2o n GLN 63 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1h2o s TYR 64 N -1.70 3.10 -0.43 1.08 6.14 -1.26 -4.82 117.35 119.45 1h2o s TYR 64 Ca 0.61 0.48 0.04 0.00 0.64 0.00 0.00 57.07 58.84 1h2o s TYR 64 Cb -0.57 -3.42 0.12 0.00 0.42 0.00 0.00 41.96 38.51 1h2o s TYR 64 CO 0.61 -0.76 0.17 0.20 0.64 0.00 0.00 175.55 176.41 1h2o s GLY 65 N 1.88 2.15 0.28 8.97 0.00 -1.26 -5.03 107.32 114.31 1h2o s GLY 65 Ca 0.30 -2.88 0.03 0.00 0.00 0.00 0.00 44.72 42.17 1h2o s GLY 65 CO 0.18 1.03 0.06 -2.52 0.00 0.00 0.00 173.10 171.85 1h2o s TYR 66 N 0.30 1.72 0.36 1.90 -0.85 -1.26 0.26 117.35 119.78 1h2o s TYR 66 Ca 0.14 -1.04 0.05 0.00 -0.52 0.00 0.00 57.07 55.70 1h2o s TYR 66 Cb -0.23 -1.06 -0.03 0.00 0.38 0.00 0.00 41.96 41.02 1h2o s TYR 66 CO -0.04 -0.14 0.20 0.14 -1.52 0.00 0.00 175.55 174.19 1h2o s VAL 67 N -3.50 0.29 -0.23 -3.49 -7.23 0.21 -4.13 120.40 102.33 1h2o s VAL 67 Ca 0.35 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.50 1h2o s VAL 67 Cb 0.08 -2.43 0.07 0.00 0.56 0.00 0.00 36.38 34.66 1h2o s VAL 67 CO 0.13 0.00 0.06 -0.54 -0.31 0.00 0.00 175.10 174.45 1h2o s LYS 68 N -3.63 0.58 -0.22 4.82 1.02 -1.13 -1.33 119.74 119.85 1h2o s LYS 68 Ca 0.33 -0.55 -0.12 0.00 0.02 0.00 0.00 55.97 55.64 1h2o s LYS 68 Cb 0.03 -1.97 -0.05 0.00 -0.52 0.00 0.00 37.83 35.33 1h2o s LYS 68 CO 0.20 -0.76 0.23 -1.01 -0.92 0.00 0.00 175.35 173.09 1h2o s HIS 69 N 1.85 3.35 -0.28 3.18 3.76 0.21 -2.46 115.29 124.89 1h2o s HIS 69 Ca 0.02 0.36 -0.17 0.00 -0.15 0.00 0.00 55.06 55.12 1h2o s HIS 69 Cb -0.17 -2.33 -0.03 0.00 1.11 0.00 0.00 32.58 31.16 1h2o s HIS 69 CO -0.15 0.07 0.48 0.15 -0.85 0.00 0.00 174.74 174.45 1h2o s LYS 70 N 1.03 3.98 0.16 1.40 1.02 0.54 0.93 119.74 128.80 1h2o s LYS 70 Ca 0.11 0.18 -0.32 0.00 0.02 0.00 0.00 55.97 55.95 1h2o s LYS 70 Cb -0.14 -3.68 -0.12 0.00 -0.52 0.00 0.00 37.83 33.37 1h2o s LYS 70 CO 0.05 -0.39 1.72 -0.89 -0.92 0.00 0.00 175.35 174.92 1h2o n ILE 71 N 5.20 0.12 -0.12 2.17 2.08 0.24 0.39 119.36 129.43 1h2o n ILE 71 Ca -0.05 -0.02 -0.21 0.00 0.56 0.00 0.00 62.75 63.03 1h2o n ILE 71 Cb 0.50 -1.89 -0.10 0.00 -0.75 0.00 0.00 39.64 37.39 1h2o n ILE 71 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1h2o n ASP 72 N 4.35 2.02 -3.54 4.38 8.00 0.48 0.35 116.55 132.59 1h2o n ASP 72 Ca 0.17 0.04 -0.08 0.00 0.71 0.00 0.00 54.79 55.63 1h2o n ASP 72 Cb 0.33 -0.52 -0.02 0.00 -0.02 0.00 0.00 41.12 40.90 1h2o n ASP 72 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1h2o s SER 73 N -6.67 -0.30 0.06 -2.24 0.01 0.43 -4.68 113.70 100.31 1h2o s SER 73 Ca -0.33 0.04 -0.04 0.00 1.31 0.00 0.00 55.95 56.93 1h2o s SER 73 Cb 0.10 0.31 -0.02 0.00 0.21 0.00 0.00 66.02 66.62 1h2o s SER 73 CO 0.51 -0.49 0.07 -0.63 0.41 0.00 0.00 173.24 173.11 1h2o s ILE 74 N -2.72 0.17 -0.49 1.44 1.01 -1.26 -0.12 121.20 119.23 1h2o s ILE 74 Ca 0.05 -1.41 0.05 0.00 0.00 0.00 0.00 60.65 59.35 1h2o s ILE 74 Cb -0.01 -1.26 0.19 0.00 0.01 0.00 0.00 42.46 41.39 1h2o s ILE 74 CO -0.07 -0.78 0.43 0.47 0.00 0.00 0.00 174.94 174.99 1h2o n ASP 75 N 0.29 0.66 0.21 3.58 8.00 0.50 -4.92 116.55 124.86 1h2o n ASP 75 Ca -0.16 -2.68 0.14 0.00 0.71 0.00 0.00 54.79 52.81 1h2o n ASP 75 Cb 0.61 -0.62 0.74 0.00 -0.02 0.00 0.00 41.12 41.83 1h2o n ASP 75 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1h2o h LYS 76 N 5.23 0.00 0.00 -1.24 3.64 -1.96 2.41 116.57 124.65 1h2o h LYS 76 Ca 0.21 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.27 1h2o h LYS 76 Cb 0.85 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.62 1h2o h LYS 76 CO 0.49 0.00 -1.92 0.39 -2.27 0.00 0.00 179.45 176.14 1h2o n GLU 77 N -2.49 0.65 0.00 1.90 1.02 -1.26 -4.24 120.64 116.22 1h2o n GLU 77 Ca -0.01 0.21 0.07 0.00 -0.02 0.00 0.00 57.16 57.40 1h2o n GLU 77 Cb 0.07 -1.71 -0.04 0.00 -0.02 0.00 0.00 31.44 29.74 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 1.14 -2.52 1.62 3.02 -0.49 -5.00 115.26 110.05 1h2o n ASN 78 Ca -0.22 -1.07 -0.10 0.00 -0.03 0.00 0.00 54.58 53.15 1h2o n ASN 78 Cb 1.08 0.73 0.05 0.00 -0.61 0.00 0.00 39.78 41.04 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 -0.73 -1.38 -4.33 3.10 4.01 0.80 -4.25 117.16 114.39 1h2o n TYR 79 Ca 0.05 0.58 -0.25 0.00 -0.16 0.00 0.00 57.90 58.11 1h2o n TYR 79 Cb 0.27 -3.87 -0.12 0.00 -0.31 0.00 0.00 39.34 35.31 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 -3.77 2.83 0.00 7.72 0.01 -0.96 -0.46 113.70 119.06 1h2o s SER 80 Ca 0.03 -0.75 0.01 0.00 1.31 0.00 0.00 55.95 56.56 1h2o s SER 80 Cb -0.00 -0.17 -0.00 0.00 0.21 0.00 0.00 66.02 66.05 1h2o s SER 80 CO 0.45 0.08 -0.03 -0.47 0.41 0.00 0.00 173.24 173.68 1h2o s TYR 81 N -1.32 0.27 -0.07 2.43 5.04 0.40 -0.37 117.35 123.71 1h2o s TYR 81 Ca 0.11 -0.10 -0.03 0.00 -2.44 0.00 0.00 57.07 54.61 1h2o s TYR 81 Cb -0.09 -0.17 0.04 0.00 0.35 0.00 0.00 41.96 42.09 1h2o s TYR 81 CO 0.06 -0.02 0.15 -1.54 -1.34 0.00 0.00 175.55 172.86 1h2o s SER 82 N -0.22 0.20 0.25 4.32 1.04 0.82 0.17 113.70 120.28 1h2o s SER 82 Ca -0.00 0.31 -0.10 0.00 0.48 0.00 0.00 55.95 56.64 1h2o s SER 82 Cb -0.02 0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.30 1h2o s SER 82 CO -0.00 -0.18 0.41 -0.72 0.98 0.00 0.00 173.24 173.73 1h2o s TYR 83 N 1.57 0.58 0.10 5.02 1.13 -0.21 0.18 117.35 125.72 1h2o s TYR 83 Ca -0.05 -0.91 0.07 0.00 -1.41 0.00 0.00 57.07 54.77 1h2o s TYR 83 Cb -0.12 0.02 -0.03 0.00 -1.10 0.00 0.00 41.96 40.73 1h2o s TYR 83 CO -0.06 -0.94 -0.18 0.99 -2.51 0.00 0.00 175.55 172.85 1h2o s THR 84 N -3.94 1.51 -0.18 -3.49 2.01 0.16 0.22 115.64 111.93 1h2o s THR 84 Ca 0.26 -1.50 -0.03 0.00 0.31 0.00 0.00 61.69 60.74 1h2o s THR 84 Cb 0.01 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 1h2o s THR 84 CO 0.11 -0.14 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.62 1h2o s LEU 85 N -1.92 2.97 -0.11 4.42 2.96 0.35 0.20 118.68 127.55 1h2o s LEU 85 Ca 0.04 -0.30 0.14 0.00 -0.22 0.00 0.00 54.13 53.79 1h2o s LEU 85 Cb -0.10 -1.73 -0.20 0.00 0.50 0.00 0.00 46.19 44.66 1h2o s LEU 85 CO 0.04 0.07 0.14 2.30 -1.32 0.00 0.00 176.35 177.58 1h2o n ILE 86 N 4.19 0.73 -4.37 6.68 -5.35 -1.03 -1.06 119.36 119.15 1h2o n ILE 86 Ca -0.18 -0.56 -0.23 0.00 -0.27 0.00 0.00 62.75 61.51 1h2o n ILE 86 Cb 0.52 -0.39 -0.11 0.00 -1.74 0.00 0.00 39.64 37.92 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 -2.58 1.38 0.00 6.28 2.12 -1.25 -4.81 118.70 119.83 1h2o s GLU 87 Ca -0.07 -1.48 0.00 0.00 0.36 0.00 0.00 54.97 53.78 1h2o s GLU 87 Cb 0.06 -1.49 0.00 0.00 0.26 0.00 0.00 34.13 32.96 1h2o s GLU 87 CO 0.63 0.30 0.00 0.41 -0.54 0.00 0.00 175.26 176.06 1h2o n GLY 88 N 0.15 3.52 0.29 -1.50 0.00 -1.26 -2.82 105.19 103.57 1h2o n GLY 88 Ca -0.12 -0.14 0.19 0.00 0.00 0.00 0.00 46.02 45.95 1h2o n GLY 88 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1h2o h ASP 89 N 0.00 0.00 1.61 1.61 3.32 -1.96 -1.51 116.42 119.49 1h2o h ASP 89 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h2o h ASP 89 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1h2o h ASP 89 CO 0.00 0.00 -0.17 0.00 -1.72 0.00 0.00 179.24 177.35 1h2o h ALA 90 N 2.02 0.90 0.00 3.45 0.00 -1.94 -3.24 119.26 120.45 1h2o h ALA 90 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1h2o h ALA 90 Cb 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1h2o h ALA 90 CO 0.00 0.00 -0.06 -0.07 0.00 0.00 0.00 179.25 179.12 1h2o h LEU 91 N 0.00 0.00 0.00 0.00 3.38 -1.59 -3.46 115.31 113.64 1h2o h LEU 91 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1h2o h LEU 91 Cb 0.89 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1h2o h LEU 91 CO 0.00 0.06 -0.11 0.61 0.09 0.00 0.00 178.44 179.09 1h2o n GLY 92 N -1.30 -0.53 0.24 0.83 0.00 -1.23 -0.72 105.19 102.48 1h2o n GLY 92 Ca -0.03 -0.39 0.06 0.00 0.00 0.00 0.00 46.02 45.66 1h2o n GLY 92 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1h2o n ASP 93 N -4.08 0.71 -0.12 1.61 5.68 -1.26 -3.74 116.55 115.35 1h2o n ASP 93 Ca 0.00 -1.74 -0.21 0.00 -0.50 0.00 0.00 54.79 52.34 1h2o n ASP 93 Cb 0.14 -0.07 -0.12 0.00 -1.14 0.00 0.00 41.12 39.93 1h2o n ASP 93 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1h2o n THR 94 N -0.23 1.52 -3.82 2.12 -2.24 -1.22 -4.86 114.28 105.55 1h2o n THR 94 Ca 0.10 -0.52 -0.20 0.00 -2.27 0.00 0.00 64.05 61.16 1h2o n THR 94 Cb 0.15 -1.56 -0.02 0.00 -2.10 0.00 0.00 70.33 66.80 1h2o n THR 94 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1h2o s LEU 95 N -6.81 4.18 0.00 3.22 1.43 0.10 -2.21 118.68 118.59 1h2o s LEU 95 Ca -0.35 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1h2o s LEU 95 Cb 0.10 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.53 1h2o s LEU 95 CO 0.59 -0.18 0.00 -0.62 0.23 0.00 0.00 176.35 176.37 1h2o n GLU 96 N -1.47 0.00 -2.79 1.70 1.02 -0.77 -4.53 120.64 113.80 1h2o n GLU 96 Ca -0.06 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.71 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 0.00 4.61 -0.02 3.49 1.02 -1.15 -4.60 119.74 123.10 1h2o s LYS 97 Ca 0.00 1.34 0.01 0.00 0.02 0.00 0.00 55.97 57.33 1h2o s LYS 97 Cb 0.00 -2.87 0.01 0.00 -0.52 0.00 0.00 37.83 34.45 1h2o s LYS 97 CO 0.00 0.32 -0.01 0.42 -0.92 0.00 0.00 175.35 175.16 1h2o s ILE 98 N -1.55 0.17 -0.05 2.17 1.01 -0.23 0.50 121.20 123.22 1h2o s ILE 98 Ca 0.49 -0.00 0.01 0.00 0.00 0.00 0.00 60.65 61.14 1h2o s ILE 98 Cb -0.20 -0.21 -0.03 0.00 0.01 0.00 0.00 42.46 42.03 1h2o s ILE 98 CO 0.25 0.10 -0.05 -0.55 0.00 0.00 0.00 174.94 174.68 1h2o s SER 99 N 0.49 4.75 0.02 3.58 0.15 -0.92 0.13 113.70 121.90 1h2o s SER 99 Ca -0.05 -0.02 0.05 0.00 0.70 0.00 0.00 55.95 56.64 1h2o s SER 99 Cb -0.07 -1.20 -0.02 0.00 -1.71 0.00 0.00 66.02 63.02 1h2o s SER 99 CO -0.01 0.35 -0.16 -0.31 1.20 0.00 0.00 173.24 174.30 1h2o s TYR 100 N -0.87 1.45 -0.17 3.44 2.02 0.60 0.72 117.35 124.54 1h2o s TYR 100 Ca 0.14 -0.32 -0.06 0.00 -0.37 0.00 0.00 57.07 56.46 1h2o s TYR 100 Cb -0.11 -0.89 0.08 0.00 -0.40 0.00 0.00 41.96 40.64 1h2o s TYR 100 CO 0.03 0.03 0.35 -2.00 -1.57 0.00 0.00 175.55 172.39 1h2o s GLU 101 N -0.83 0.25 0.14 -0.62 2.12 0.15 -1.05 118.70 118.85 1h2o s GLU 101 Ca 0.05 0.88 0.11 0.00 0.36 0.00 0.00 54.97 56.37 1h2o s GLU 101 Cb -0.07 0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.40 1h2o s GLU 101 CO 0.01 -0.29 -0.26 0.99 -0.54 0.00 0.00 175.26 175.17 1h2o s THR 102 N 2.53 2.33 -0.05 -1.70 2.01 0.45 0.16 115.64 121.37 1h2o s THR 102 Ca 0.00 -1.79 -0.03 0.00 0.31 0.00 0.00 61.69 60.19 1h2o s THR 102 Cb -0.12 -2.05 0.03 0.00 0.01 0.00 0.00 72.50 70.36 1h2o s THR 102 CO -0.11 0.05 0.11 -0.54 -0.69 0.00 0.00 174.62 173.44 1h2o s LYS 103 N -2.18 0.08 0.08 4.92 1.02 0.53 -0.45 119.74 123.73 1h2o s LYS 103 Ca 0.16 0.26 0.08 0.00 0.02 0.00 0.00 55.97 56.48 1h2o s LYS 103 Cb -0.10 -0.10 -0.04 0.00 -0.52 0.00 0.00 37.83 37.07 1h2o s LYS 103 CO 0.07 -0.11 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.69 1h2o s LEU 104 N 0.74 2.59 0.00 3.17 1.43 0.39 0.18 118.68 127.19 1h2o s LEU 104 Ca -0.06 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1h2o s LEU 104 Cb -0.08 -1.49 0.00 0.00 0.03 0.00 0.00 46.19 44.65 1h2o s LEU 104 CO -0.03 0.22 0.00 0.52 0.23 0.00 0.00 176.35 177.29 1h2o n VAL 105 N 1.22 0.00 -4.26 -1.59 0.31 0.38 -4.61 118.33 109.78 1h2o n VAL 105 Ca -0.16 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 63.91 1h2o n VAL 105 Cb 0.52 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.37 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 -1.47 3.10 0.42 3.52 0.00 -1.26 -0.41 121.76 125.66 1h2o s ALA 106 Ca 0.00 -1.49 0.07 0.00 0.00 0.00 0.00 51.96 50.54 1h2o s ALA 106 Cb 0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 1h2o s ALA 106 CO 0.00 0.41 0.17 -1.54 0.00 0.00 0.00 175.76 174.80 1h2o s SER 107 N -3.12 4.38 0.00 0.00 1.04 -0.07 -4.27 113.70 111.66 1h2o s SER 107 Ca 0.28 -1.11 0.24 0.00 0.48 0.00 0.00 55.95 55.83 1h2o s SER 107 Cb -0.08 -0.45 1.41 0.00 0.10 0.00 0.00 66.02 67.00 1h2o s SER 107 CO 0.18 -0.55 1.80 -0.81 0.98 0.00 0.00 173.24 174.84 1h2o n PRO 108 N -1.22 0.80 -0.17 4.02 -0.04 -1.26 -2.72 135.00 134.40 1h2o n PRO 108 Ca -0.02 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.50 1h2o n PRO 108 Cb 0.65 -1.46 0.15 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 -0.96 2.91 0.00 3.54 3.41 -1.26 -4.95 113.62 116.31 1h2o n SER 109 Ca 0.18 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 1h2o n SER 109 Cb 0.08 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 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 0.61 3.02 0.86 5.00 0.00 -1.10 -5.02 105.19 108.56 1h2o n GLY 110 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.72 -2.48 3.08 -0.02 0.00 -1.26 -4.71 105.19 99.08 1h2o n GLY 111 Ca 0.00 -1.47 -0.28 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.23 2.45 0.40 1.61 1.04 0.29 -0.89 113.70 116.36 1h2o s SER 112 Ca 0.17 -0.43 -0.23 0.00 0.48 0.00 0.00 55.95 55.95 1h2o s SER 112 Cb -0.02 -1.11 -0.11 0.00 0.10 0.00 0.00 66.02 64.89 1h2o s SER 112 CO 0.13 0.05 0.95 -0.63 0.98 0.00 0.00 173.24 174.72 1h2o s ILE 113 N 0.79 4.32 -0.06 -1.02 1.01 0.45 0.44 121.20 127.14 1h2o s ILE 113 Ca -0.11 1.59 0.01 0.00 0.00 0.00 0.00 60.65 62.14 1h2o s ILE 113 Cb -0.16 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.61 1h2o s ILE 113 CO 0.01 -0.18 -0.06 -0.63 0.00 0.00 0.00 174.94 174.08 1h2o s ILE 114 N -2.00 0.73 -0.20 2.92 1.01 0.38 0.14 121.20 124.18 1h2o s ILE 114 Ca 0.58 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 61.03 1h2o s ILE 114 Cb -0.12 -0.74 0.02 0.00 0.01 0.00 0.00 42.46 41.63 1h2o s ILE 114 CO 0.16 0.28 -0.15 -0.75 0.00 0.00 0.00 174.94 174.48 1h2o s LYS 115 N 1.06 2.97 0.19 2.79 2.20 0.48 -0.70 119.74 128.73 1h2o s LYS 115 Ca -0.08 -0.86 0.09 0.00 -0.36 0.00 0.00 55.97 54.76 1h2o s LYS 115 Cb -0.14 -2.72 -0.04 0.00 -1.51 0.00 0.00 37.83 33.42 1h2o s LYS 115 CO -0.01 -0.26 -0.07 0.45 -0.36 0.00 0.00 175.35 175.10 1h2o s SER 116 N 1.31 4.34 -0.14 1.43 0.15 -0.44 0.20 113.70 120.54 1h2o s SER 116 Ca 0.03 -0.57 -0.09 0.00 0.70 0.00 0.00 55.95 56.02 1h2o s SER 116 Cb -0.14 -0.76 0.05 0.00 -1.71 0.00 0.00 66.02 63.45 1h2o s SER 116 CO -0.10 0.09 0.36 -0.89 1.20 0.00 0.00 173.24 173.90 1h2o s THR 117 N -1.79 -0.02 0.02 6.45 2.01 0.43 -1.07 115.64 121.66 1h2o s THR 117 Ca 0.26 0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.39 1h2o s THR 117 Cb -0.08 -0.52 -0.02 0.00 0.01 0.00 0.00 72.50 71.88 1h2o s THR 117 CO 0.16 0.03 -0.18 -0.94 -0.69 0.00 0.00 174.62 173.00 1h2o s SER 118 N 0.96 2.14 0.21 3.53 1.04 0.15 0.29 113.70 122.03 1h2o s SER 118 Ca -0.06 -0.42 0.10 0.00 0.48 0.00 0.00 55.95 56.04 1h2o s SER 118 Cb -0.07 -0.20 -0.05 0.00 0.10 0.00 0.00 66.02 65.81 1h2o s SER 118 CO -0.07 0.16 -0.19 -1.00 0.98 0.00 0.00 173.24 173.11 1h2o s HIS 119 N -0.64 2.05 -0.03 5.02 3.76 0.22 -1.24 115.29 124.43 1h2o s HIS 119 Ca 0.06 -0.42 0.04 0.00 -0.15 0.00 0.00 55.06 54.59 1h2o s HIS 119 Cb -0.08 -0.96 -0.01 0.00 1.11 0.00 0.00 32.58 32.65 1h2o s HIS 119 CO 0.01 0.49 -0.15 0.71 -0.85 0.00 0.00 174.74 174.95 1h2o s TYR 120 N -2.28 1.40 -0.58 1.40 2.02 -1.16 -2.16 117.35 115.98 1h2o s TYR 120 Ca 0.22 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.61 1h2o s TYR 120 Cb -0.05 -0.93 0.15 0.00 -0.40 0.00 0.00 41.96 40.72 1h2o s TYR 120 CO 0.10 -0.09 0.35 -1.01 -1.57 0.00 0.00 175.55 173.33 1h2o s HIS 121 N -0.09 3.30 0.73 2.71 3.76 0.18 -1.95 115.29 123.93 1h2o s HIS 121 Ca 0.00 -3.07 -0.11 0.00 -0.15 0.00 0.00 55.06 51.73 1h2o s HIS 121 Cb -0.09 -2.92 0.03 0.00 1.11 0.00 0.00 32.58 30.71 1h2o s HIS 121 CO 0.01 -0.75 1.07 0.95 -0.85 0.00 0.00 174.74 175.17 1h2o s THR 122 N -0.40 3.72 -0.29 1.30 -4.23 -1.23 -1.85 115.64 112.67 1h2o s THR 122 Ca 0.18 0.56 -0.03 0.00 -1.18 0.00 0.00 61.69 61.23 1h2o s THR 122 Cb -0.22 -3.20 0.04 0.00 1.34 0.00 0.00 72.50 70.46 1h2o s THR 122 CO -0.03 -0.73 -0.00 -0.75 -0.54 0.00 0.00 174.62 172.57 1h2o s LYS 123 N -4.99 2.61 0.00 3.99 2.20 -0.94 -4.84 119.74 117.77 1h2o s LYS 123 Ca 0.59 -1.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 1h2o s LYS 123 Cb -0.15 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1h2o s LYS 123 CO 0.55 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 175.41 1h2o n GLY 124 N 4.67 0.36 2.62 5.54 0.00 -1.26 -4.74 105.19 112.39 1h2o n GLY 124 Ca -0.14 -1.60 -0.26 0.00 0.00 0.00 0.00 46.02 44.02 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 3.55 -4.30 1.61 5.15 -1.26 -5.06 115.26 114.95 1h2o n ASN 125 Ca 0.00 -3.46 -0.16 0.00 -0.60 0.00 0.00 54.58 50.36 1h2o n ASN 125 Cb 0.00 -0.61 -0.10 0.00 -0.53 0.00 0.00 39.78 38.54 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 -3.32 1.18 0.13 3.44 -7.23 -1.26 -5.16 120.40 108.18 1h2o s VAL 126 Ca 0.44 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 58.56 1h2o s VAL 126 Cb 0.23 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 1h2o s VAL 126 CO -0.09 -0.54 -0.05 -1.61 -0.31 0.00 0.00 175.10 172.51 1h2o s GLU 127 N -3.79 0.98 1.14 4.82 2.02 -1.26 -4.85 118.70 117.77 1h2o s GLU 127 Ca 0.23 -1.43 -0.16 0.00 0.02 0.00 0.00 54.97 53.63 1h2o s GLU 127 Cb 0.04 -0.31 0.26 0.00 0.10 0.00 0.00 34.13 34.22 1h2o s GLU 127 CO 0.05 -0.04 1.07 0.42 0.02 0.00 0.00 175.26 176.77 1h2o s ILE 128 N -3.58 1.80 -0.12 -1.63 -1.09 -1.26 -5.03 121.20 110.29 1h2o s ILE 128 Ca 0.17 0.00 -0.01 0.00 -2.23 0.00 0.00 60.65 58.58 1h2o s ILE 128 Cb 0.05 -2.36 -0.02 0.00 -1.58 0.00 0.00 42.46 38.54 1h2o s ILE 128 CO -0.01 0.00 -0.09 -0.54 -1.23 0.00 0.00 174.94 173.07 1h2o s LYS 129 N -5.01 3.28 0.44 2.79 1.02 -1.26 -4.98 119.74 116.03 1h2o s LYS 129 Ca 0.68 -0.61 0.28 0.00 0.02 0.00 0.00 55.97 56.35 1h2o s LYS 129 Cb -0.17 -2.69 1.36 0.00 -0.52 0.00 0.00 37.83 35.81 1h2o s LYS 129 CO 0.59 0.35 1.68 0.93 -0.92 0.00 0.00 175.35 177.97 1h2o h GLU 130 N 6.30 0.16 0.00 1.68 4.39 -1.99 2.07 114.58 127.18 1h2o h GLU 130 Ca -0.34 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.32 1h2o h GLU 130 Cb 1.19 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1h2o h GLU 130 CO 0.57 0.10 -0.15 1.49 -1.16 0.00 0.00 179.01 179.86 1h2o h GLU 131 N 0.16 0.00 0.01 2.33 4.81 -1.99 -2.19 114.58 117.72 1h2o h GLU 131 Ca 0.74 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.87 1h2o h GLU 131 Cb 2.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.67 1h2o h GLU 131 CO -0.32 0.15 -0.49 1.25 -0.73 0.00 0.00 179.01 178.87 1h2o h HIS 132 N 0.00 0.06 -0.45 0.92 2.76 0.29 -2.68 115.15 116.05 1h2o h HIS 132 Ca -0.00 -0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1h2o h HIS 132 Cb 0.50 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 1h2o h HIS 132 CO 0.00 1.19 0.30 0.28 -1.30 0.00 0.00 177.93 178.40 1h2o h VAL 133 N -0.92 1.09 0.04 5.26 2.07 -1.36 0.13 116.25 122.55 1h2o h VAL 133 Ca -0.13 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1h2o h VAL 133 Cb 1.17 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1h2o h VAL 133 CO -0.05 0.11 -0.02 0.50 0.02 0.00 0.00 177.57 178.13 1h2o h LYS 134 N 0.58 -0.05 -0.35 1.57 3.64 -1.51 -2.83 116.57 117.63 1h2o h LYS 134 Ca 0.17 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1h2o h LYS 134 Cb -0.01 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1h2o h LYS 134 CO -0.04 0.58 0.23 0.00 -2.27 0.00 0.00 179.45 177.96 1h2o h ALA 135 N 0.14 1.84 0.00 5.00 0.00 -1.22 -0.01 119.26 125.02 1h2o h ALA 135 Ca -0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1h2o h ALA 135 Cb 0.65 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1h2o h ALA 135 CO 0.01 0.12 -0.37 0.78 0.00 0.00 0.00 179.25 179.79 1h2o h GLY 136 N 0.39 0.00 1.87 0.00 0.00 -0.98 0.34 103.07 104.69 1h2o h GLY 136 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.25 1h2o h GLY 136 CO -0.03 0.00 -1.02 0.50 0.00 0.00 0.00 176.54 175.99 1h2o h LYS 137 N 0.00 0.10 0.00 4.80 1.57 -0.76 -2.81 116.57 119.47 1h2o h LYS 137 Ca -0.00 -0.15 -0.28 0.00 -1.87 0.00 0.00 60.65 58.34 1h2o h LYS 137 Cb 0.75 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.07 1h2o h LYS 137 CO 0.05 1.03 -1.61 1.49 -0.57 0.00 0.00 179.45 179.84 1h2o h GLU 138 N 0.04 0.00 -0.03 3.15 4.81 -1.13 -2.67 114.58 118.75 1h2o h GLU 138 Ca -0.05 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.05 1h2o h GLU 138 Cb 1.74 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.10 1h2o h GLU 138 CO 0.15 0.57 -0.61 0.87 -0.73 0.00 0.00 179.01 179.25 1h2o h LYS 139 N 0.00 0.09 0.15 1.92 1.57 -0.41 -2.95 116.57 116.94 1h2o h LYS 139 Ca -0.25 -0.07 -0.32 0.00 -1.87 0.00 0.00 60.65 58.14 1h2o h LYS 139 Cb 1.98 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 34.30 1h2o h LYS 139 CO 0.09 0.68 -1.66 0.00 -0.57 0.00 0.00 179.45 177.98 1h2o h ALA 140 N 1.31 0.21 -0.79 3.86 0.00 -1.62 -3.33 119.26 118.90 1h2o h ALA 140 Ca -0.01 -1.17 0.12 0.00 0.00 0.00 0.00 54.91 53.86 1h2o h ALA 140 Cb 1.10 0.52 -0.08 0.00 0.00 0.00 0.00 17.79 19.32 1h2o h ALA 140 CO 0.09 0.99 0.40 1.03 0.00 0.00 0.00 179.25 181.75 1h2o h SER 141 N -0.08 0.49 -0.76 0.00 0.87 -1.52 -0.47 113.55 112.08 1h2o h SER 141 Ca -0.34 0.08 0.05 0.00 -1.23 0.00 0.00 61.79 60.35 1h2o h SER 141 Cb 1.94 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.85 1h2o h SER 141 CO 0.11 0.24 0.46 0.78 -0.53 0.00 0.00 176.83 177.88 1h2o h ASN 142 N 0.61 0.71 -0.55 6.23 2.35 -1.66 -1.38 115.58 121.90 1h2o h ASN 142 Ca 0.41 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 56.13 1h2o h ASN 142 Cb 0.52 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 1h2o h ASN 142 CO -0.33 0.47 0.15 -0.07 -1.65 0.00 0.00 177.43 176.00 1h2o h LEU 143 N 0.85 0.85 -1.24 1.61 3.38 -1.23 -2.28 115.31 117.26 1h2o h LEU 143 Ca 0.33 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1h2o h LEU 143 Cb 0.14 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1h2o h LEU 143 CO -0.16 0.83 0.09 -0.26 0.09 0.00 0.00 178.44 179.03 1h2o h PHE 144 N 0.88 0.63 0.00 1.13 0.04 -0.44 -1.00 116.94 118.18 1h2o h PHE 144 Ca 0.19 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1h2o h PHE 144 Cb 0.31 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1h2o h PHE 144 CO 0.02 0.55 0.00 1.63 -0.60 0.00 0.00 178.31 179.91 1h2o n LYS 145 N -4.31 0.03 0.06 1.51 5.02 -0.79 -2.58 118.16 117.10 1h2o n LYS 145 Ca 0.03 0.15 -0.18 0.00 -2.02 0.00 0.00 58.31 56.28 1h2o n LYS 145 Cb 0.20 -1.55 -0.14 0.00 -0.02 0.00 0.00 35.03 33.52 1h2o n LYS 145 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1h2o h LEU 146 N 0.00 0.43 -0.18 -0.35 3.38 -0.92 -2.94 115.31 114.72 1h2o h LEU 146 Ca 0.00 -0.63 -0.11 0.00 0.09 0.00 0.00 57.88 57.23 1h2o h LEU 146 Cb 0.40 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1h2o h LEU 146 CO 0.00 1.53 -0.32 0.40 0.09 0.00 0.00 178.44 180.14 1h2o h ILE 147 N 0.07 1.34 -0.81 1.22 2.04 -1.41 -0.37 117.51 119.60 1h2o h ILE 147 Ca -0.28 -1.55 0.04 0.00 1.00 0.00 0.00 64.86 64.07 1h2o h ILE 147 Cb 2.04 1.91 -0.05 0.00 -0.74 0.00 0.00 36.82 39.97 1h2o h ILE 147 CO 0.16 0.47 0.51 -0.33 0.00 0.00 0.00 178.15 178.96 1h2o h GLU 148 N 0.17 0.94 -0.36 2.37 5.08 -1.62 -1.98 114.58 119.17 1h2o h GLU 148 Ca 0.01 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.15 1h2o h GLU 148 Cb 0.91 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1h2o h GLU 148 CO 0.07 0.62 -0.43 1.15 -1.00 0.00 0.00 179.01 179.42 1h2o h THR 149 N 0.96 1.27 -0.89 1.13 2.02 -1.43 -1.61 112.91 114.36 1h2o h THR 149 Ca 0.33 -1.61 0.20 0.00 0.77 0.00 0.00 66.41 66.11 1h2o h THR 149 Cb 0.07 1.44 -0.11 0.00 -1.74 0.00 0.00 68.15 67.81 1h2o h THR 149 CO -0.14 0.54 0.42 0.22 0.37 0.00 0.00 175.52 176.93 1h2o h TYR 150 N 0.75 0.72 0.14 3.16 3.20 -0.31 0.24 116.97 124.86 1h2o h TYR 150 Ca 0.05 0.04 -0.18 0.00 3.14 0.00 0.00 58.73 61.78 1h2o h TYR 150 Cb 1.03 -0.18 0.02 0.00 1.54 0.00 0.00 36.73 39.14 1h2o h TYR 150 CO 0.07 0.03 -0.80 -0.07 -1.64 0.00 0.00 178.16 175.75 1h2o h LEU 151 N 0.49 0.45 -1.27 2.82 3.38 -1.35 0.62 115.31 120.45 1h2o h LEU 151 Ca 0.54 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1h2o h LEU 151 Cb 0.94 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1h2o h LEU 151 CO -0.47 1.39 0.00 1.17 0.09 0.00 0.00 178.44 180.61 1h2o n LYS 152 N -4.14 0.14 -0.03 1.13 4.81 -0.62 -2.09 118.16 117.36 1h2o n LYS 152 Ca -0.14 0.61 -0.03 0.00 -0.87 0.00 0.00 58.31 57.87 1h2o n LYS 152 Cb 0.81 -1.92 -0.05 0.00 0.02 0.00 0.00 35.03 33.89 1h2o n LYS 152 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1h2o n GLY 153 N -1.18 -0.33 3.11 3.14 0.00 0.78 -4.87 105.19 105.84 1h2o n GLY 153 Ca -0.01 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.16 3.51 -2.00 1.61 3.76 0.22 -4.92 115.29 115.30 1h2o s HIS 154 Ca -0.03 -2.52 0.05 0.00 -0.15 0.00 0.00 55.06 52.41 1h2o s HIS 154 Cb 0.02 -3.23 0.31 0.00 1.11 0.00 0.00 32.58 30.79 1h2o s HIS 154 CO 0.28 -0.92 0.92 -0.35 -0.85 0.00 0.00 174.74 173.82 1h2o n PRO 155 N 4.15 0.69 0.00 8.40 -0.04 -1.25 -2.48 135.00 144.47 1h2o n PRO 155 Ca 0.02 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.53 1h2o n PRO 155 Cb 0.40 -1.12 -0.06 0.00 -0.04 0.00 0.00 33.50 32.69 1h2o n PRO 155 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1h2o n ASP 156 N -0.62 0.57 -4.56 3.54 5.68 -1.26 -4.52 116.55 115.39 1h2o n ASP 156 Ca 0.04 -0.79 -0.38 0.00 -0.50 0.00 0.00 54.79 53.16 1h2o n ASP 156 Cb 0.02 0.96 -0.03 0.00 -1.14 0.00 0.00 41.12 40.92 1h2o n ASP 156 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1h2o s ALA 157 N -1.97 2.05 -0.37 2.12 0.00 -1.04 -3.63 121.76 118.92 1h2o s ALA 157 Ca 0.05 -0.30 -0.05 0.00 0.00 0.00 0.00 51.96 51.66 1h2o s ALA 157 Cb 0.08 -4.29 0.05 0.00 0.00 0.00 0.00 23.12 18.96 1h2o s ALA 157 CO 0.43 -3.96 0.12 2.48 0.00 0.00 0.00 175.76 174.83 1h2o n TYR 158 N 13.63 -1.34 -0.17 0.00 4.11 -1.26 -5.01 117.16 127.12 1h2o n TYR 158 Ca 0.27 0.14 0.00 0.00 -0.00 0.00 0.00 57.90 58.30 1h2o n TYR 158 Cb 0.52 -0.92 0.00 0.00 -0.00 0.00 0.00 39.34 38.94 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15