#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 4.37 0.67 1.61 0.11 -1.26 -4.29 120.40 121.62 1h2o s VAL 2 Ca 0.00 1.51 -0.05 0.00 -2.93 0.00 0.00 61.98 60.51 1h2o s VAL 2 Cb 0.00 -3.63 0.05 0.00 -1.53 0.00 0.00 36.38 31.27 1h2o s VAL 2 CO 0.00 -0.28 0.97 -0.36 -3.33 0.00 0.00 175.10 172.10 1h2o s PHE 3 N -2.13 2.93 -0.09 1.54 0.08 -0.04 -4.85 117.98 115.41 1h2o s PHE 3 Ca 0.61 0.38 0.03 0.00 0.12 0.00 0.00 56.93 58.07 1h2o s PHE 3 Cb -0.10 -3.09 0.01 0.00 -0.57 0.00 0.00 43.02 39.26 1h2o s PHE 3 CO 0.14 -1.29 -0.19 0.99 -0.10 0.00 0.00 175.22 174.78 1h2o s THR 4 N -3.15 1.65 -0.05 0.64 2.01 -1.26 -3.15 115.64 112.33 1h2o s THR 4 Ca 0.59 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.79 1h2o s THR 4 Cb -0.11 -1.46 0.03 0.00 0.01 0.00 0.00 72.50 70.97 1h2o s THR 4 CO 0.44 0.47 0.11 -0.31 -0.69 0.00 0.00 174.62 174.64 1h2o s TYR 5 N 0.50 -0.11 -0.02 4.92 2.02 -1.12 -5.03 117.35 118.50 1h2o s TYR 5 Ca -0.17 0.35 -0.05 0.00 -0.37 0.00 0.00 57.07 56.83 1h2o s TYR 5 Cb -0.17 -0.06 0.01 0.00 -0.40 0.00 0.00 41.96 41.33 1h2o s TYR 5 CO 0.06 -0.11 0.12 -1.21 -1.57 0.00 0.00 175.55 172.85 1h2o s GLU 6 N 0.74 0.32 0.41 -0.62 2.02 -1.26 -0.74 118.70 119.57 1h2o s GLU 6 Ca -0.06 -0.14 0.07 0.00 0.02 0.00 0.00 54.97 54.87 1h2o s GLU 6 Cb -0.08 0.14 -0.07 0.00 0.10 0.00 0.00 34.13 34.22 1h2o s GLU 6 CO -0.03 -0.06 0.05 0.45 0.02 0.00 0.00 175.26 175.68 1h2o s SER 7 N -0.70 4.01 -0.20 -0.19 0.15 0.42 -4.97 113.70 112.22 1h2o s SER 7 Ca -0.08 -1.29 -0.08 0.00 0.70 0.00 0.00 55.95 55.20 1h2o s SER 7 Cb -0.05 -0.42 0.08 0.00 -1.71 0.00 0.00 66.02 63.93 1h2o s SER 7 CO 0.01 -0.47 0.43 -1.61 1.20 0.00 0.00 173.24 172.80 1h2o s GLU 8 N -3.76 0.36 0.25 5.44 2.02 -1.26 -1.99 118.70 119.77 1h2o s GLU 8 Ca 0.36 0.99 -0.02 0.00 0.02 0.00 0.00 54.97 56.33 1h2o s GLU 8 Cb 0.08 0.25 0.01 0.00 0.10 0.00 0.00 34.13 34.57 1h2o s GLU 8 CO 0.19 -0.22 0.36 1.97 0.02 0.00 0.00 175.26 177.58 1h2o n PHE 9 N 5.05 -1.19 -4.31 1.61 -1.74 -0.40 -5.00 117.46 111.48 1h2o n PHE 9 Ca -0.13 -1.69 -0.20 0.00 -0.56 0.00 0.00 57.45 54.87 1h2o n PHE 9 Cb 0.51 0.41 -0.08 0.00 1.52 0.00 0.00 39.48 41.84 1h2o n PHE 9 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 1h2o n THR 10 N -0.42 0.00 -3.80 1.97 -2.24 -1.26 0.14 114.28 108.67 1h2o n THR 10 Ca 0.00 -2.48 -0.08 0.00 -2.27 0.00 0.00 64.05 59.23 1h2o n THR 10 Cb 0.42 1.21 -0.02 0.00 -2.10 0.00 0.00 70.33 69.84 1h2o n THR 10 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1h2o s SER 11 N -3.39 -0.30 -0.04 3.42 0.15 0.19 -4.84 113.70 108.89 1h2o s SER 11 Ca 0.39 -0.53 0.15 0.00 0.70 0.00 0.00 55.95 56.66 1h2o s SER 11 Cb 0.02 0.71 -0.21 0.00 -1.71 0.00 0.00 66.02 64.83 1h2o s SER 11 CO 0.28 -1.30 0.60 -0.62 1.20 0.00 0.00 173.24 173.40 1h2o n GLU 12 N -0.45 0.64 -2.20 5.44 1.02 -1.26 0.11 120.64 123.94 1h2o n GLU 12 Ca -0.06 0.22 -0.34 0.00 -0.02 0.00 0.00 57.16 56.96 1h2o n GLU 12 Cb 0.60 -1.75 0.01 0.00 -0.02 0.00 0.00 31.44 30.28 1h2o n GLU 12 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1h2o s ILE 13 N -2.68 3.28 0.41 -3.67 1.09 -1.26 -4.56 121.20 113.82 1h2o s ILE 13 Ca -0.05 0.76 -0.26 0.00 -1.10 0.00 0.00 60.65 60.00 1h2o s ILE 13 Cb 0.08 -3.28 -0.09 0.00 -1.06 0.00 0.00 42.46 38.11 1h2o s ILE 13 CO 0.82 -0.22 1.30 -2.16 -0.10 0.00 0.00 174.94 174.59 1h2o s PRO 14 N -3.45 3.97 0.25 2.79 0.04 -1.26 -4.20 135.00 133.14 1h2o s PRO 14 Ca 0.71 2.14 0.09 0.00 0.04 0.00 0.00 61.00 63.98 1h2o s PRO 14 Cb -0.22 -2.75 0.26 0.00 0.04 0.00 0.00 34.50 31.83 1h2o s PRO 14 CO 0.29 -0.49 1.56 -1.00 0.04 0.00 0.00 177.00 177.40 1h2o h PRO 15 N 2.67 0.04 0.00 0.56 0.13 -1.93 -2.70 132.00 130.76 1h2o h PRO 15 Ca -0.50 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.55 1h2o h PRO 15 Cb 1.25 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1h2o h PRO 15 CO 0.62 0.69 -0.25 -1.00 -0.23 0.00 0.00 178.00 177.84 1h2o h PRO 16 N 0.03 0.00 0.11 1.56 0.13 -1.95 0.12 132.00 132.00 1h2o h PRO 16 Ca -0.01 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.91 1h2o h PRO 16 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 1h2o h PRO 16 CO 0.09 0.25 -1.02 0.00 -0.23 0.00 0.00 178.00 177.08 1h2o h ARG 17 N 0.00 0.24 -0.06 0.86 3.08 -1.91 -2.81 114.38 113.78 1h2o h ARG 17 Ca -0.00 -0.40 -0.06 0.00 0.07 0.00 0.00 59.98 59.58 1h2o h ARG 17 Cb 0.75 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1h2o h ARG 17 CO 0.03 1.19 -0.25 1.25 -1.07 0.00 0.00 179.97 181.13 1h2o h LEU 18 N -0.43 0.10 0.35 3.04 7.12 -1.40 -2.50 115.31 121.58 1h2o h LEU 18 Ca -0.21 -0.03 -0.02 0.00 0.13 0.00 0.00 57.88 57.76 1h2o h LEU 18 Cb 1.62 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.73 1h2o h LEU 18 CO 0.08 0.35 -0.17 0.15 -0.13 0.00 0.00 178.44 178.73 1h2o h PHE 19 N 0.10 -0.43 -0.84 1.25 3.57 -0.81 0.49 116.94 120.27 1h2o h PHE 19 Ca 0.02 -0.01 0.22 0.00 3.53 0.00 0.00 57.97 61.73 1h2o h PHE 19 Cb 0.49 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 1h2o h PHE 19 CO 0.00 -0.11 0.58 0.87 -2.23 0.00 0.00 178.31 177.43 1h2o h LYS 20 N -0.78 0.14 0.09 1.11 1.57 -1.34 0.17 116.57 117.54 1h2o h LYS 20 Ca -0.05 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 1h2o h LYS 20 Cb 0.51 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.81 1h2o h LYS 20 CO 0.08 0.09 -0.53 0.00 -0.57 0.00 0.00 179.45 178.51 1h2o h ALA 21 N 1.60 -0.06 -0.60 3.86 0.00 -1.05 0.71 119.26 123.73 1h2o h ALA 21 Ca 0.41 -0.63 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1h2o h ALA 21 Cb 1.41 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1h2o h ALA 21 CO -0.06 0.25 -0.03 0.35 0.00 0.00 0.00 179.25 179.76 1h2o h PHE 22 N -0.59 1.18 0.00 0.00 3.57 0.12 -0.27 116.94 120.95 1h2o h PHE 22 Ca -0.09 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.19 1h2o h PHE 22 Cb 1.42 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1h2o h PHE 22 CO 0.23 1.05 -0.46 0.28 -2.23 0.00 0.00 178.31 177.17 1h2o n VAL 23 N -4.17 1.04 0.17 1.41 0.31 0.48 -3.42 118.33 114.14 1h2o n VAL 23 Ca 0.03 0.26 0.05 0.00 -0.01 0.00 0.00 64.34 64.66 1h2o n VAL 23 Cb 0.36 -1.87 0.23 0.00 -0.91 0.00 0.00 33.84 31.66 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 -3.68 0.18 -1.26 7.52 4.32 -0.78 -2.79 117.00 120.51 1h2o n LEU 24 Ca -0.06 0.57 0.02 0.00 -0.02 0.00 0.00 56.01 56.52 1h2o n LEU 24 Cb 0.24 -0.58 0.00 0.00 -1.62 0.00 0.00 43.42 41.46 1h2o n LEU 24 CO 0.10 -0.56 0.14 0.47 -1.22 0.00 0.00 177.39 176.31 1h2o n ASP 25 N -1.73 0.52 0.28 -1.43 9.92 0.24 -4.86 116.55 119.49 1h2o n ASP 25 Ca 0.01 -1.97 0.17 0.00 -0.53 0.00 0.00 54.79 52.46 1h2o n ASP 25 Cb 0.06 -0.18 0.74 0.00 -0.64 0.00 0.00 41.12 41.10 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 0.68 1.03 0.00 2.24 0.00 -0.87 0.22 119.26 122.57 1h2o h ALA 26 Ca -0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1h2o h ALA 26 Cb 1.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1h2o h ALA 26 CO 0.02 0.05 0.00 -0.25 0.00 0.00 0.00 179.25 179.08 1h2o n ASP 27 N -3.19 0.56 0.00 0.00 8.00 -1.26 -3.20 116.55 117.46 1h2o n ASP 27 Ca -0.00 0.62 0.00 0.00 0.71 0.00 0.00 54.79 56.11 1h2o n ASP 27 Cb 0.28 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 1h2o n ASP 27 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1h2o n ASN 28 N -2.09 0.59 -0.08 -2.24 0.23 -0.81 -4.52 115.26 106.33 1h2o n ASN 28 Ca 0.03 -1.28 -0.23 0.00 -0.53 0.00 0.00 54.58 52.57 1h2o n ASN 28 Cb 0.26 0.00 -0.12 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 -0.14 2.26 -0.03 -4.53 7.99 0.00 -3.66 117.00 118.89 1h2o n LEU 29 Ca 0.00 0.27 -0.16 0.00 -0.01 0.00 0.00 56.01 56.10 1h2o n LEU 29 Cb 0.40 -0.97 -0.08 0.00 -0.11 0.00 0.00 43.42 42.65 1h2o n LEU 29 CO 0.00 0.60 0.35 0.58 -1.51 0.00 0.00 177.39 177.40 1h2o h VAL 30 N -0.55 1.34 0.00 4.08 2.07 -1.82 0.14 116.25 121.51 1h2o h VAL 30 Ca -0.48 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.19 1h2o h VAL 30 Cb 1.66 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 33.57 1h2o h VAL 30 CO -0.15 0.57 0.00 -0.81 0.02 0.00 0.00 177.57 177.19 1h2o n PRO 31 N -4.16 0.90 0.00 1.57 -0.04 -1.26 -2.34 135.00 129.66 1h2o n PRO 31 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1h2o n PRO 31 Cb 0.63 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 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 -0.62 2.27 0.09 0.54 4.76 -1.14 -4.54 118.16 119.52 1h2o n LYS 32 Ca 0.05 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.36 1h2o n LYS 32 Cb 0.02 -0.89 -0.13 0.00 -1.84 0.00 0.00 35.03 32.19 1h2o n LYS 32 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1h2o h ILE 33 N 0.00 1.57 -1.27 -0.18 2.04 -0.99 -3.43 117.51 115.26 1h2o h ILE 33 Ca 0.00 -3.19 -0.10 0.00 1.00 0.00 0.00 64.86 62.57 1h2o h ILE 33 Cb 0.78 2.91 -0.23 0.00 -0.74 0.00 0.00 36.82 39.55 1h2o h ILE 33 CO 0.00 0.92 -0.48 0.00 0.00 0.00 0.00 178.15 178.59 1h2o s ALA 34 N -2.67 -1.88 -1.88 1.87 0.00 -0.99 -4.98 121.76 111.22 1h2o s ALA 34 Ca -0.02 0.29 0.19 0.00 0.00 0.00 0.00 51.96 52.42 1h2o s ALA 34 Cb 0.08 -2.46 1.12 0.00 0.00 0.00 0.00 23.12 21.86 1h2o s ALA 34 CO 0.86 -2.01 1.56 -0.35 0.00 0.00 0.00 175.76 175.83 1h2o n PRO 35 N 4.86 0.54 0.00 0.00 -0.04 -1.26 -2.42 135.00 136.69 1h2o n PRO 35 Ca 0.07 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 1h2o n PRO 35 Cb 0.53 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.76 1h2o n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h2o n GLN 36 N -1.06 0.60 -0.01 0.54 10.64 -1.26 -4.53 117.38 122.30 1h2o n GLN 36 Ca 0.13 -0.38 -0.01 0.00 -1.83 0.00 0.00 57.00 54.91 1h2o n GLN 36 Cb 0.08 -1.49 -0.00 0.00 -0.86 0.00 0.00 30.24 27.97 1h2o n GLN 36 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1h2o n ALA 37 N -0.87 0.08 -2.82 2.61 0.00 -1.01 -4.51 120.51 113.99 1h2o n ALA 37 Ca 0.10 -0.29 -0.31 0.00 0.00 0.00 0.00 53.44 52.93 1h2o n ALA 37 Cb 0.36 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.18 4.85 -0.05 0.00 1.09 -1.25 -2.74 121.20 121.92 1h2o s ILE 38 Ca -0.03 -0.57 -0.04 0.00 -1.10 0.00 0.00 60.65 58.91 1h2o s ILE 38 Cb 0.00 -3.33 -0.27 0.00 -1.06 0.00 0.00 42.46 37.80 1h2o s ILE 38 CO 0.04 0.17 0.66 0.50 -0.10 0.00 0.00 174.94 176.21 1h2o h LYS 39 N 3.38 0.25 0.00 2.79 3.64 0.21 -3.43 116.57 123.43 1h2o h LYS 39 Ca -0.47 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 58.48 1h2o h LYS 39 Cb 1.17 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1h2o h LYS 39 CO 0.68 1.10 0.00 -2.39 -2.27 0.00 0.00 179.45 176.58 1h2o n HIS 40 N -3.44 0.00 -3.53 1.91 1.44 -1.25 -4.97 115.22 105.39 1h2o n HIS 40 Ca -0.22 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.11 1h2o n HIS 40 Cb 1.05 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 31.10 1h2o n HIS 40 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1h2o s SER 41 N 0.00 6.64 -0.11 4.39 0.01 -1.26 -2.70 113.70 120.67 1h2o s SER 41 Ca 0.00 0.76 -0.04 0.00 1.31 0.00 0.00 55.95 57.98 1h2o s SER 41 Cb 0.00 -2.22 0.05 0.00 0.21 0.00 0.00 66.02 64.06 1h2o s SER 41 CO 0.00 0.22 0.08 -0.70 0.41 0.00 0.00 173.24 173.25 1h2o s GLU 42 N -0.38 0.00 0.34 12.44 2.12 -1.15 -4.93 118.70 127.13 1h2o s GLU 42 Ca 0.21 0.12 -0.29 0.00 0.36 0.00 0.00 54.97 55.38 1h2o s GLU 42 Cb -0.15 -1.25 -0.11 0.00 0.26 0.00 0.00 34.13 32.89 1h2o s GLU 42 CO 0.09 -0.52 1.48 0.42 -0.54 0.00 0.00 175.26 176.20 1h2o s ILE 43 N 2.15 2.20 -0.03 -3.70 1.01 -1.26 -0.99 121.20 120.58 1h2o s ILE 43 Ca 0.03 0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.93 1h2o s ILE 43 Cb -0.14 -3.12 -0.07 0.00 0.01 0.00 0.00 42.46 39.13 1h2o s ILE 43 CO -0.06 0.04 0.06 -0.11 0.00 0.00 0.00 174.94 174.87 1h2o n LEU 44 N 1.12 0.00 -4.38 2.97 7.94 0.67 -4.84 117.00 120.48 1h2o n LEU 44 Ca 0.03 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.74 1h2o n LEU 44 Cb 0.39 0.07 -0.10 0.00 0.53 0.00 0.00 43.42 44.31 1h2o n LEU 44 CO 0.63 0.07 -0.37 0.26 -1.11 0.00 0.00 177.39 176.87 1h2o s TRP 45 N -2.23 1.76 0.00 1.96 0.52 -0.93 -4.82 118.94 115.20 1h2o s TRP 45 Ca -0.02 -0.75 0.00 0.00 0.02 0.00 0.00 56.10 55.35 1h2o s TRP 45 Cb 0.02 -0.98 0.00 0.00 -1.15 0.00 0.00 33.47 31.37 1h2o s TRP 45 CO 0.22 0.19 0.00 0.41 0.02 0.00 0.00 176.95 177.79 1h2o n GLY 46 N -0.48 2.34 0.51 0.98 0.00 -1.26 -3.19 105.19 104.09 1h2o n GLY 46 Ca -0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.62 -0.01 0.00 1.61 8.00 -1.26 -4.96 116.55 120.54 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 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 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 1.58 0.71 0.44 0.00 -1.26 -5.11 105.19 101.55 1h2o n GLY 48 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.35 3.71 -0.02 0.00 -1.26 -4.85 105.19 100.42 1h2o n GLY 49 Ca 0.00 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.51 4.37 0.00 1.61 0.04 -1.26 -2.57 135.00 133.68 1h2o s PRO 50 Ca 0.14 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1h2o s PRO 50 Cb -0.01 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1h2o s PRO 50 CO 0.11 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.18 1h2o n GLY 51 N 3.38 1.90 3.78 0.56 0.00 -0.37 -4.98 105.19 109.47 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 -2.37 3.35 -0.10 2.61 2.01 -1.06 -4.58 115.64 115.50 1h2o s THR 52 Ca 0.00 0.44 -0.01 0.00 0.31 0.00 0.00 61.69 62.43 1h2o s THR 52 Cb 0.00 -3.04 0.03 0.00 0.01 0.00 0.00 72.50 69.50 1h2o s THR 52 CO 0.00 -0.57 -0.04 -0.63 -0.69 0.00 0.00 174.62 172.69 1h2o s ILE 53 N -2.99 0.74 -0.15 1.82 1.01 -1.19 0.29 121.20 120.73 1h2o s ILE 53 Ca 0.61 -0.12 -0.07 0.00 0.00 0.00 0.00 60.65 61.07 1h2o s ILE 53 Cb -0.16 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 1h2o s ILE 53 CO 0.56 0.31 0.09 -0.54 0.00 0.00 0.00 174.94 175.36 1h2o s LYS 54 N 1.82 3.69 -0.69 2.79 1.02 0.31 0.24 119.74 128.92 1h2o s LYS 54 Ca 0.05 -0.26 -0.13 0.00 0.02 0.00 0.00 55.97 55.65 1h2o s LYS 54 Cb -0.12 -3.18 0.18 0.00 -0.52 0.00 0.00 37.83 34.18 1h2o s LYS 54 CO -0.07 0.51 0.61 0.21 -0.92 0.00 0.00 175.35 175.69 1h2o s LYS 55 N -0.28 3.19 0.21 1.68 2.20 -0.17 0.12 119.74 126.70 1h2o s LYS 55 Ca 0.09 -2.21 -0.30 0.00 -0.36 0.00 0.00 55.97 53.20 1h2o s LYS 55 Cb -0.12 -4.25 -0.08 0.00 -1.51 0.00 0.00 37.83 31.87 1h2o s LYS 55 CO 0.01 -1.27 0.94 0.42 -0.36 0.00 0.00 175.35 175.09 1h2o s ILE 56 N 0.62 4.17 0.14 5.43 1.01 0.52 -2.95 121.20 130.15 1h2o s ILE 56 Ca 0.13 2.08 0.08 0.00 0.00 0.00 0.00 60.65 62.94 1h2o s ILE 56 Cb -0.18 -4.33 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 1h2o s ILE 56 CO -0.04 0.46 -0.10 0.42 0.00 0.00 0.00 174.94 175.67 1h2o s THR 57 N -0.91 3.26 0.12 2.92 -4.23 -1.10 0.11 115.64 115.81 1h2o s THR 57 Ca 0.42 -1.44 0.09 0.00 -1.18 0.00 0.00 61.69 59.58 1h2o s THR 57 Cb -0.25 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 70.99 1h2o s THR 57 CO 0.31 0.02 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.89 1h2o s PHE 58 N -1.40 2.58 -0.34 3.99 0.08 0.76 0.20 117.98 123.85 1h2o s PHE 58 Ca 0.22 -0.24 0.10 0.00 0.12 0.00 0.00 56.93 57.13 1h2o s PHE 58 Cb -0.10 -1.36 0.45 0.00 -0.57 0.00 0.00 43.02 41.44 1h2o s PHE 58 CO 0.14 0.40 1.13 0.41 -0.10 0.00 0.00 175.22 177.20 1h2o n GLY 59 N 0.75 5.08 0.21 4.36 0.00 -1.11 -4.17 105.19 110.31 1h2o n GLY 59 Ca -0.15 -2.32 0.09 0.00 0.00 0.00 0.00 46.02 43.64 1h2o n GLY 59 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1h2o h GLU 60 N 2.46 0.00 0.00 1.61 4.81 -1.80 -3.47 114.58 118.19 1h2o h GLU 60 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1h2o h GLU 60 Cb 1.26 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 1h2o h GLU 60 CO 0.68 0.25 0.02 0.41 -0.73 0.00 0.00 179.01 179.64 1h2o n GLY 61 N 0.41 1.54 0.29 1.92 0.00 -1.26 -5.03 105.19 103.06 1h2o n GLY 61 Ca 0.01 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 1h2o n GLY 61 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1h2o h SER 62 N 0.09 1.00 -2.86 1.61 4.64 -1.98 -3.44 113.55 112.62 1h2o h SER 62 Ca -0.01 -0.32 -0.59 0.00 -0.47 0.00 0.00 61.79 60.40 1h2o h SER 62 Cb 0.06 -0.27 0.15 0.00 -0.31 0.00 0.00 62.40 62.03 1h2o h SER 62 CO 0.02 1.08 -0.21 0.00 -0.87 0.00 0.00 176.83 176.85 1h2o n GLN 63 N -4.21 0.77 -2.76 4.77 6.02 -1.26 -4.87 117.38 115.84 1h2o n GLN 63 Ca 0.02 0.29 -0.43 0.00 -0.01 0.00 0.00 57.00 56.87 1h2o n GLN 63 Cb 0.36 -1.77 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 1h2o n GLN 63 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1h2o s TYR 64 N -1.51 3.22 -0.33 1.08 2.02 -1.26 -4.87 117.35 115.70 1h2o s TYR 64 Ca 0.66 1.14 0.01 0.00 -0.37 0.00 0.00 57.07 58.52 1h2o s TYR 64 Cb -0.52 -3.39 0.10 0.00 -0.40 0.00 0.00 41.96 37.75 1h2o s TYR 64 CO 0.55 -0.61 0.08 0.20 -1.57 0.00 0.00 175.55 174.21 1h2o s GLY 65 N 1.51 1.48 0.15 0.71 0.00 -1.26 -5.03 107.32 104.87 1h2o s GLY 65 Ca 0.40 -2.09 -0.00 0.00 0.00 0.00 0.00 44.72 43.03 1h2o s GLY 65 CO 0.12 1.31 0.05 -2.52 0.00 0.00 0.00 173.10 172.06 1h2o s TYR 66 N 1.26 0.99 0.28 1.90 -0.85 -1.26 0.27 117.35 119.94 1h2o s TYR 66 Ca 0.11 -1.19 0.04 0.00 -0.52 0.00 0.00 57.07 55.50 1h2o s TYR 66 Cb -0.18 -0.56 -0.04 0.00 0.38 0.00 0.00 41.96 41.57 1h2o s TYR 66 CO -0.17 -0.44 0.20 0.14 -1.52 0.00 0.00 175.55 173.76 1h2o s VAL 67 N -3.95 0.06 -0.16 -3.49 -7.23 0.30 -4.28 120.40 101.65 1h2o s VAL 67 Ca 0.25 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.42 1h2o s VAL 67 Cb 0.07 -2.50 0.04 0.00 0.56 0.00 0.00 36.38 34.55 1h2o s VAL 67 CO 0.03 0.00 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.24 1h2o s LYS 68 N -3.77 1.33 -0.24 4.82 1.02 -1.09 -0.35 119.74 121.46 1h2o s LYS 68 Ca 0.39 -0.48 -0.09 0.00 0.02 0.00 0.00 55.97 55.81 1h2o s LYS 68 Cb 0.04 -1.97 -0.04 0.00 -0.52 0.00 0.00 37.83 35.35 1h2o s LYS 68 CO 0.20 -0.44 0.11 -1.01 -0.92 0.00 0.00 175.35 173.28 1h2o s HIS 69 N 1.66 3.18 -0.40 3.18 3.76 0.33 -2.54 115.29 124.47 1h2o s HIS 69 Ca 0.01 -0.09 -0.18 0.00 -0.15 0.00 0.00 55.06 54.65 1h2o s HIS 69 Cb -0.15 -2.23 0.01 0.00 1.11 0.00 0.00 32.58 31.31 1h2o s HIS 69 CO -0.08 -0.13 0.50 0.21 -0.85 0.00 0.00 174.74 174.39 1h2o s LYS 70 N 1.26 3.33 0.21 1.40 2.20 0.50 0.11 119.74 128.76 1h2o s LYS 70 Ca 0.06 -0.47 -0.31 0.00 -0.36 0.00 0.00 55.97 54.89 1h2o s LYS 70 Cb -0.14 -3.90 -0.15 0.00 -1.51 0.00 0.00 37.83 32.12 1h2o s LYS 70 CO 0.05 -0.79 1.00 -0.89 -0.36 0.00 0.00 175.35 174.36 1h2o n ILE 71 N 5.51 1.43 -0.05 5.43 2.08 0.14 0.19 119.36 134.09 1h2o n ILE 71 Ca -0.06 -0.36 -0.06 0.00 0.56 0.00 0.00 62.75 62.84 1h2o n ILE 71 Cb 0.48 -0.73 -0.05 0.00 -0.75 0.00 0.00 39.64 38.59 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 1.71 3.15 0.00 4.38 -0.08 0.58 -1.23 116.55 125.05 1h2o n ASP 72 Ca 0.14 -0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 1h2o n ASP 72 Cb 0.27 0.12 0.00 0.00 2.34 0.00 0.00 41.12 43.84 1h2o n ASP 72 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1h2o n SER 73 N -2.64 0.00 -3.85 1.67 7.64 0.13 -4.77 113.62 111.80 1h2o n SER 73 Ca -0.17 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.61 1h2o n SER 73 Cb 0.72 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.83 1h2o n SER 73 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1h2o s ILE 74 N -2.00 0.11 -0.51 0.44 1.09 -1.26 -0.82 121.20 118.24 1h2o s ILE 74 Ca 0.00 -0.95 0.05 0.00 -1.10 0.00 0.00 60.65 58.65 1h2o s ILE 74 Cb 0.00 -0.99 0.18 0.00 -1.06 0.00 0.00 42.46 40.59 1h2o s ILE 74 CO 0.00 -0.52 0.44 0.47 -0.10 0.00 0.00 174.94 175.22 1h2o n ASP 75 N 0.55 0.94 0.27 3.58 8.00 0.74 -4.93 116.55 125.70 1h2o n ASP 75 Ca -0.18 -2.74 0.18 0.00 0.71 0.00 0.00 54.79 52.76 1h2o n ASP 75 Cb 0.60 -0.63 0.94 0.00 -0.02 0.00 0.00 41.12 42.01 1h2o n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1h2o h LYS 76 N 5.27 0.00 0.01 -1.24 1.57 -1.96 2.35 116.57 122.57 1h2o h LYS 76 Ca 0.21 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.67 1h2o h LYS 76 Cb 0.84 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.10 1h2o h LYS 76 CO 0.52 0.00 -1.88 0.39 -0.57 0.00 0.00 179.45 177.91 1h2o n GLU 77 N -2.76 0.65 0.00 3.15 1.02 -1.26 -4.17 120.64 117.27 1h2o n GLU 77 Ca -0.02 0.23 0.09 0.00 -0.02 0.00 0.00 57.16 57.44 1h2o n GLU 77 Cb 0.08 -1.73 -0.04 0.00 -0.02 0.00 0.00 31.44 29.73 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 -3.03 1.44 -2.70 1.62 3.02 -0.57 -5.00 115.26 110.04 1h2o n ASN 78 Ca -0.22 -1.22 -0.12 0.00 -0.03 0.00 0.00 54.58 53.00 1h2o n ASN 78 Cb 1.07 0.65 0.06 0.00 -0.61 0.00 0.00 39.78 40.96 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 -0.54 -1.57 -4.44 3.10 4.01 0.78 -4.19 117.16 114.31 1h2o n TYR 79 Ca 0.06 0.65 -0.24 0.00 -0.16 0.00 0.00 57.90 58.20 1h2o n TYR 79 Cb 0.34 -4.05 -0.13 0.00 -0.31 0.00 0.00 39.34 35.19 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 -3.81 2.46 -0.02 7.72 0.01 -0.90 -0.57 113.70 118.60 1h2o s SER 80 Ca 0.07 -0.61 0.01 0.00 1.31 0.00 0.00 55.95 56.73 1h2o s SER 80 Cb -0.01 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.07 1h2o s SER 80 CO 0.51 0.10 -0.02 -0.47 0.41 0.00 0.00 173.24 173.77 1h2o s TYR 81 N -1.00 0.34 -0.04 2.43 5.04 0.44 -0.19 117.35 124.38 1h2o s TYR 81 Ca 0.07 -0.05 -0.01 0.00 -2.44 0.00 0.00 57.07 54.63 1h2o s TYR 81 Cb -0.09 -0.31 0.03 0.00 0.35 0.00 0.00 41.96 41.94 1h2o s TYR 81 CO 0.03 -0.06 0.08 -1.12 -1.34 0.00 0.00 175.55 173.14 1h2o s SER 82 N 0.38 0.24 0.28 4.32 0.01 -0.00 0.20 113.70 119.13 1h2o s SER 82 Ca -0.04 0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.40 1h2o s SER 82 Cb -0.07 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.15 1h2o s SER 82 CO -0.01 -0.16 0.19 -0.72 0.41 0.00 0.00 173.24 172.95 1h2o s TYR 83 N 1.38 1.50 -0.08 2.43 1.13 -0.21 0.21 117.35 123.71 1h2o s TYR 83 Ca -0.06 -1.48 0.03 0.00 -1.41 0.00 0.00 57.07 54.15 1h2o s TYR 83 Cb -0.12 -0.70 0.01 0.00 -1.10 0.00 0.00 41.96 40.04 1h2o s TYR 83 CO -0.04 -0.68 -0.16 0.99 -2.51 0.00 0.00 175.55 173.15 1h2o s THR 84 N -3.75 1.44 -0.14 -3.49 2.01 0.50 -0.67 115.64 111.53 1h2o s THR 84 Ca 0.39 -0.65 -0.12 0.00 0.31 0.00 0.00 61.69 61.62 1h2o s THR 84 Cb 0.05 -1.29 -0.05 0.00 0.01 0.00 0.00 72.50 71.22 1h2o s THR 84 CO 0.19 0.42 0.26 -0.22 -0.69 0.00 0.00 174.62 174.58 1h2o s LEU 85 N 0.64 4.29 -0.01 4.42 2.96 -0.31 0.19 118.68 130.86 1h2o s LEU 85 Ca -0.14 0.51 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 1h2o s LEU 85 Cb -0.16 -2.30 -0.02 0.00 0.50 0.00 0.00 46.19 44.21 1h2o s LEU 85 CO 0.04 0.18 0.02 2.30 -1.32 0.00 0.00 176.35 177.58 1h2o n ILE 86 N 3.13 0.04 -4.59 6.68 -5.35 -1.05 -1.02 119.36 117.20 1h2o n ILE 86 Ca -0.14 -0.04 -0.28 0.00 -0.27 0.00 0.00 62.75 62.02 1h2o n ILE 86 Cb 0.52 -0.14 -0.14 0.00 -1.74 0.00 0.00 39.64 38.15 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 -2.06 1.48 0.00 6.28 2.12 -1.25 -4.91 118.70 120.36 1h2o s GLU 87 Ca -0.01 -1.16 0.00 0.00 0.36 0.00 0.00 54.97 54.16 1h2o s GLU 87 Cb 0.01 -1.76 0.00 0.00 0.26 0.00 0.00 34.13 32.63 1h2o s GLU 87 CO 0.05 0.44 0.00 0.41 -0.54 0.00 0.00 175.26 175.62 1h2o n GLY 88 N 1.40 2.32 0.39 -1.50 0.00 -1.26 -2.67 105.19 103.87 1h2o n GLY 88 Ca -0.18 0.26 0.20 0.00 0.00 0.00 0.00 46.02 46.30 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 1.14 1.61 3.32 -1.97 0.56 116.42 121.08 1h2o h ASP 89 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1h2o h ASP 89 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1h2o h ASP 89 CO 0.00 0.00 -0.29 0.00 -1.72 0.00 0.00 179.24 177.23 1h2o h ALA 90 N 1.40 0.93 -0.19 3.45 0.00 -1.94 -3.07 119.26 119.84 1h2o h ALA 90 Ca 0.19 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1h2o h ALA 90 Cb 1.16 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1h2o h ALA 90 CO -0.00 0.36 -0.09 -0.07 0.00 0.00 0.00 179.25 179.45 1h2o h LEU 91 N 0.00 0.28 0.00 0.00 3.38 -0.24 -3.47 115.31 115.26 1h2o h LEU 91 Ca -0.00 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1h2o h LEU 91 Cb 0.94 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1h2o h LEU 91 CO 0.04 0.41 -0.06 0.61 0.09 0.00 0.00 178.44 179.52 1h2o n GLY 92 N -0.91 -0.43 0.20 0.83 0.00 -1.16 -1.31 105.19 102.40 1h2o n GLY 92 Ca -0.00 -0.36 0.06 0.00 0.00 0.00 0.00 46.02 45.72 1h2o n GLY 92 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1h2o n ASP 93 N -3.93 0.59 -0.04 1.61 5.68 -1.26 -3.56 116.55 115.65 1h2o n ASP 93 Ca 0.00 -1.75 -0.13 0.00 -0.50 0.00 0.00 54.79 52.41 1h2o n ASP 93 Cb 0.08 -0.06 -0.14 0.00 -1.14 0.00 0.00 41.12 39.86 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 -0.29 1.62 -3.68 2.12 -2.24 -1.20 -4.87 114.28 105.74 1h2o n THR 94 Ca 0.09 -0.75 -0.22 0.00 -2.27 0.00 0.00 64.05 60.90 1h2o n THR 94 Cb 0.13 -1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 67.15 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 -6.31 3.19 0.00 3.22 1.43 -0.43 -3.38 118.68 116.40 1h2o s LEU 95 Ca -0.13 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.06 1h2o s LEU 95 Cb 0.07 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.53 1h2o s LEU 95 CO 0.79 -0.78 0.00 -0.62 0.23 0.00 0.00 176.35 175.97 1h2o n GLU 96 N -1.60 0.00 -2.72 1.70 4.71 -0.49 -4.75 120.64 117.50 1h2o n GLU 96 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.75 1h2o n GLU 96 Cb 0.63 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 31.03 1h2o n GLU 96 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1h2o s LYS 97 N 0.00 4.48 -0.02 3.49 1.02 -1.21 -4.62 119.74 122.87 1h2o s LYS 97 Ca 0.00 1.37 0.06 0.00 0.02 0.00 0.00 55.97 57.42 1h2o s LYS 97 Cb 0.00 -3.50 -0.02 0.00 -0.52 0.00 0.00 37.83 33.78 1h2o s LYS 97 CO 0.00 -0.18 -0.22 0.42 -0.92 0.00 0.00 175.35 174.45 1h2o s ILE 98 N 1.52 2.44 -0.13 2.17 -1.09 -0.18 -0.78 121.20 125.15 1h2o s ILE 98 Ca 0.49 -0.99 0.03 0.00 -2.23 0.00 0.00 60.65 57.95 1h2o s ILE 98 Cb -0.19 -1.90 0.01 0.00 -1.58 0.00 0.00 42.46 38.79 1h2o s ILE 98 CO 0.22 0.56 -0.22 -0.44 -1.23 0.00 0.00 174.94 173.83 1h2o s SER 99 N -0.71 3.06 -0.05 3.58 0.01 -1.04 -1.16 113.70 117.39 1h2o s SER 99 Ca 0.11 -0.58 0.05 0.00 1.31 0.00 0.00 55.95 56.84 1h2o s SER 99 Cb -0.10 -1.41 -0.01 0.00 0.21 0.00 0.00 66.02 64.71 1h2o s SER 99 CO -0.00 0.10 -0.22 -0.31 0.41 0.00 0.00 173.24 173.22 1h2o s TYR 100 N 0.68 2.12 -0.02 2.43 2.02 0.15 0.61 117.35 125.33 1h2o s TYR 100 Ca -0.11 -0.61 0.00 0.00 -0.37 0.00 0.00 57.07 55.98 1h2o s TYR 100 Cb -0.16 -1.40 0.03 0.00 -0.40 0.00 0.00 41.96 40.02 1h2o s TYR 100 CO 0.01 -0.19 0.01 -1.21 -1.57 0.00 0.00 175.55 172.61 1h2o s GLU 101 N -0.10 0.15 -0.05 -0.62 2.02 0.23 -1.04 118.70 119.29 1h2o s GLU 101 Ca -0.03 0.11 0.03 0.00 0.02 0.00 0.00 54.97 55.10 1h2o s GLU 101 Cb -0.13 -0.35 0.00 0.00 0.10 0.00 0.00 34.13 33.76 1h2o s GLU 101 CO 0.03 -0.13 -0.14 0.99 0.02 0.00 0.00 175.26 176.03 1h2o s THR 102 N 0.93 1.19 0.04 3.63 2.01 0.54 0.22 115.64 124.19 1h2o s THR 102 Ca -0.09 -0.56 0.04 0.00 0.31 0.00 0.00 61.69 61.39 1h2o s THR 102 Cb -0.12 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.32 1h2o s THR 102 CO -0.02 0.36 -0.12 -0.75 -0.69 0.00 0.00 174.62 173.39 1h2o s LYS 103 N 0.25 0.83 0.16 4.92 2.20 0.40 0.17 119.74 128.67 1h2o s LYS 103 Ca -0.07 -0.71 0.10 0.00 -0.36 0.00 0.00 55.97 54.94 1h2o s LYS 103 Cb -0.12 -0.80 -0.04 0.00 -1.51 0.00 0.00 37.83 35.36 1h2o s LYS 103 CO 0.02 0.19 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.48 1h2o s LEU 104 N -1.11 2.41 0.00 5.43 1.43 0.27 0.16 118.68 127.26 1h2o s LEU 104 Ca -0.00 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 1h2o s LEU 104 Cb -0.08 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 45.13 1h2o s LEU 104 CO 0.01 0.06 0.00 0.52 0.23 0.00 0.00 176.35 177.17 1h2o n VAL 105 N 0.45 0.00 -4.41 -1.59 0.31 0.18 -4.68 118.33 108.60 1h2o n VAL 105 Ca -0.14 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 63.96 1h2o n VAL 105 Cb 0.56 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.36 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 -1.44 1.61 0.41 3.52 0.00 -1.26 -1.28 121.76 123.32 1h2o s ALA 106 Ca 0.00 -1.08 0.08 0.00 0.00 0.00 0.00 51.96 50.95 1h2o s ALA 106 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1h2o s ALA 106 CO 0.00 0.33 0.40 -1.54 0.00 0.00 0.00 175.76 174.95 1h2o s SER 107 N -1.51 5.15 0.00 0.00 1.04 -0.59 -4.62 113.70 113.17 1h2o s SER 107 Ca 0.05 -0.69 0.19 0.00 0.48 0.00 0.00 55.95 55.98 1h2o s SER 107 Cb -0.09 -0.60 0.84 0.00 0.10 0.00 0.00 66.02 66.27 1h2o s SER 107 CO 0.03 -0.66 1.61 -0.81 0.98 0.00 0.00 173.24 174.40 1h2o n PRO 108 N -1.58 0.04 -0.22 4.02 -0.04 -1.26 -2.45 135.00 133.51 1h2o n PRO 108 Ca 0.04 0.16 0.11 0.00 -0.04 0.00 0.00 63.50 63.77 1h2o n PRO 108 Cb 0.61 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.47 3.18 0.00 3.54 3.41 -1.26 -4.93 113.62 116.09 1h2o n SER 109 Ca 0.05 -1.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 1h2o n SER 109 Cb 0.22 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 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 2.76 0.76 5.00 0.00 -1.02 -5.02 105.19 109.12 1h2o n GLY 110 Ca 0.20 -0.55 -0.06 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.16 2.97 -0.02 0.00 -1.26 -4.60 105.19 99.12 1h2o n GLY 111 Ca 0.00 -1.04 -0.18 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.06 0.93 0.31 1.61 1.04 0.31 -1.55 113.70 114.30 1h2o s SER 112 Ca 0.14 -0.14 -0.14 0.00 0.48 0.00 0.00 55.95 56.29 1h2o s SER 112 Cb -0.02 -0.21 -0.08 0.00 0.10 0.00 0.00 66.02 65.80 1h2o s SER 112 CO 0.12 0.06 0.70 -0.63 0.98 0.00 0.00 173.24 174.46 1h2o s ILE 113 N 0.11 4.73 -0.10 -1.02 1.01 -0.40 0.57 121.20 126.11 1h2o s ILE 113 Ca -0.01 0.83 -0.01 0.00 0.00 0.00 0.00 60.65 61.46 1h2o s ILE 113 Cb -0.06 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 38.81 1h2o s ILE 113 CO -0.00 -0.19 -0.05 -0.63 0.00 0.00 0.00 174.94 174.07 1h2o s ILE 114 N -1.98 0.82 -0.21 2.92 1.01 0.38 0.51 121.20 124.65 1h2o s ILE 114 Ca 0.53 -0.16 -0.06 0.00 0.00 0.00 0.00 60.65 60.96 1h2o s ILE 114 Cb -0.10 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 1h2o s ILE 114 CO 0.19 0.33 0.03 -0.75 0.00 0.00 0.00 174.94 174.75 1h2o s LYS 115 N 1.79 3.71 0.17 2.79 2.20 0.41 -1.28 119.74 129.54 1h2o s LYS 115 Ca 0.05 -0.47 0.08 0.00 -0.36 0.00 0.00 55.97 55.27 1h2o s LYS 115 Cb -0.12 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 32.98 1h2o s LYS 115 CO -0.07 0.02 -0.02 0.45 -0.36 0.00 0.00 175.35 175.37 1h2o s SER 116 N 1.01 4.66 -0.04 1.43 0.15 -0.84 0.15 113.70 120.23 1h2o s SER 116 Ca 0.03 -0.43 -0.08 0.00 0.70 0.00 0.00 55.95 56.17 1h2o s SER 116 Cb -0.14 -0.96 0.01 0.00 -1.71 0.00 0.00 66.02 63.23 1h2o s SER 116 CO 0.02 0.10 0.20 -0.89 1.20 0.00 0.00 173.24 173.87 1h2o s THR 117 N -1.70 0.04 -0.24 6.45 2.01 0.59 -0.44 115.64 122.35 1h2o s THR 117 Ca 0.27 -0.33 -0.09 0.00 0.31 0.00 0.00 61.69 61.85 1h2o s THR 117 Cb -0.09 -0.40 0.10 0.00 0.01 0.00 0.00 72.50 72.13 1h2o s THR 117 CO 0.18 -0.18 0.52 -0.44 -0.69 0.00 0.00 174.62 174.00 1h2o s SER 118 N -0.66 -0.64 0.22 3.53 0.01 0.08 -0.60 113.70 115.65 1h2o s SER 118 Ca -0.08 1.24 0.09 0.00 1.31 0.00 0.00 55.95 58.51 1h2o s SER 118 Cb -0.04 1.70 -0.04 0.00 0.21 0.00 0.00 66.02 67.85 1h2o s SER 118 CO 0.01 -0.23 -0.00 -1.00 0.41 0.00 0.00 173.24 172.43 1h2o s HIS 119 N 2.64 2.76 -0.14 2.43 3.76 0.20 -2.80 115.29 124.14 1h2o s HIS 119 Ca -0.04 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.68 1h2o s HIS 119 Cb -0.12 -1.27 0.02 0.00 1.11 0.00 0.00 32.58 32.32 1h2o s HIS 119 CO -0.15 0.57 -0.12 0.71 -0.85 0.00 0.00 174.74 174.89 1h2o s TYR 120 N -2.04 2.00 -0.53 1.40 1.51 -1.19 -2.50 117.35 116.00 1h2o s TYR 120 Ca 0.29 -1.10 -0.17 0.00 -1.01 0.00 0.00 57.07 55.08 1h2o s TYR 120 Cb -0.08 -1.50 0.10 0.00 -0.11 0.00 0.00 41.96 40.37 1h2o s TYR 120 CO 0.19 -0.63 0.51 -1.01 -1.11 0.00 0.00 175.55 173.50 1h2o s HIS 121 N 1.54 3.20 0.14 2.71 3.76 0.04 -0.86 115.29 125.81 1h2o s HIS 121 Ca 0.05 -1.09 -0.18 0.00 -0.15 0.00 0.00 55.06 53.69 1h2o s HIS 121 Cb -0.13 -3.64 -0.07 0.00 1.11 0.00 0.00 32.58 29.85 1h2o s HIS 121 CO -0.10 -1.00 0.62 0.95 -0.85 0.00 0.00 174.74 174.36 1h2o s THR 122 N 1.85 4.70 -0.31 1.30 -4.23 -1.26 -1.39 115.64 116.29 1h2o s THR 122 Ca 0.05 1.17 -0.03 0.00 -1.18 0.00 0.00 61.69 61.70 1h2o s THR 122 Cb -0.27 -3.86 0.05 0.00 1.34 0.00 0.00 72.50 69.76 1h2o s THR 122 CO 0.05 0.38 0.03 -0.75 -0.54 0.00 0.00 174.62 173.80 1h2o s LYS 123 N -1.56 2.47 0.00 3.99 2.20 -1.22 -4.80 119.74 120.83 1h2o s LYS 123 Ca 0.35 -1.26 0.00 0.00 -0.36 0.00 0.00 55.97 54.71 1h2o s LYS 123 Cb -0.18 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 1h2o s LYS 123 CO 0.20 -0.64 0.00 0.41 -0.36 0.00 0.00 175.35 174.96 1h2o n GLY 124 N 4.67 -0.43 3.28 5.54 0.00 -1.26 -4.71 105.19 112.28 1h2o n GLY 124 Ca -0.13 -1.93 -0.44 0.00 0.00 0.00 0.00 46.02 43.52 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 5.62 -4.02 1.61 5.15 -1.26 -4.98 115.26 117.37 1h2o n ASN 125 Ca 0.00 -3.10 -0.08 0.00 -0.60 0.00 0.00 54.58 50.80 1h2o n ASN 125 Cb 0.00 -1.40 -0.09 0.00 -0.53 0.00 0.00 39.78 37.76 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 -0.98 0.16 0.03 3.44 -7.23 -1.26 -5.12 120.40 109.44 1h2o s VAL 126 Ca 0.34 -1.61 -0.10 0.00 -1.81 0.00 0.00 61.98 58.80 1h2o s VAL 126 Cb -0.05 -1.61 0.01 0.00 0.56 0.00 0.00 36.38 35.28 1h2o s VAL 126 CO -0.03 -0.72 0.21 -1.61 -0.31 0.00 0.00 175.10 172.64 1h2o s GLU 127 N -3.94 0.68 0.86 4.82 2.02 -1.26 -4.90 118.70 116.99 1h2o s GLU 127 Ca 0.11 -0.56 -0.13 0.00 0.02 0.00 0.00 54.97 54.40 1h2o s GLU 127 Cb 0.06 0.28 0.12 0.00 0.10 0.00 0.00 34.13 34.70 1h2o s GLU 127 CO -0.07 -0.19 1.23 0.42 0.02 0.00 0.00 175.26 176.67 1h2o s ILE 128 N -2.35 2.01 -0.12 -1.63 1.01 -1.26 -4.98 121.20 113.87 1h2o s ILE 128 Ca -0.07 -0.01 -0.13 0.00 0.00 0.00 0.00 60.65 60.45 1h2o s ILE 128 Cb -0.02 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.40 1h2o s ILE 128 CO -0.03 0.00 0.28 -0.54 0.00 0.00 0.00 174.94 174.66 1h2o s LYS 129 N -5.69 4.05 0.42 2.79 1.02 -1.26 -4.95 119.74 116.13 1h2o s LYS 129 Ca 0.66 0.11 0.27 0.00 0.02 0.00 0.00 55.97 57.03 1h2o s LYS 129 Cb -0.08 -3.35 1.36 0.00 -0.52 0.00 0.00 37.83 35.24 1h2o s LYS 129 CO 0.50 0.42 1.64 0.93 -0.92 0.00 0.00 175.35 177.92 1h2o h GLU 130 N 6.01 0.12 -0.82 1.68 5.08 -1.98 0.87 114.58 125.54 1h2o h GLU 130 Ca -0.45 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 57.95 1h2o h GLU 130 Cb 1.19 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.35 1h2o h GLU 130 CO 0.70 0.08 0.51 1.49 -1.00 0.00 0.00 179.01 180.79 1h2o h GLU 131 N 0.13 0.91 0.27 2.33 4.81 -1.94 1.21 114.58 122.31 1h2o h GLU 131 Ca 0.79 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.95 1h2o h GLU 131 Cb 2.38 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 31.56 1h2o h GLU 131 CO -0.44 0.60 -0.13 1.25 -0.73 0.00 0.00 179.01 179.56 1h2o h HIS 132 N 0.94 -0.34 -0.20 0.92 2.76 0.42 1.90 115.15 121.55 1h2o h HIS 132 Ca 0.35 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.41 1h2o h HIS 132 Cb 0.13 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 1h2o h HIS 132 CO -0.04 -0.04 -0.30 0.28 -1.30 0.00 0.00 177.93 176.53 1h2o h VAL 133 N -0.64 1.27 0.00 5.26 2.07 -1.23 -1.31 116.25 121.68 1h2o h VAL 133 Ca -0.04 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.16 1h2o h VAL 133 Cb 0.45 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1h2o h VAL 133 CO 0.06 0.41 -0.06 0.29 0.02 0.00 0.00 177.57 178.29 1h2o n LYS 134 N -4.10 0.03 0.32 1.57 5.02 0.42 -4.04 118.16 117.39 1h2o n LYS 134 Ca -0.01 0.06 0.16 0.00 -2.02 0.00 0.00 58.31 56.51 1h2o n LYS 134 Cb 0.42 -0.61 0.87 0.00 -0.02 0.00 0.00 35.03 35.69 1h2o n LYS 134 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1h2o h ALA 135 N -1.93 1.25 -0.00 7.82 0.00 0.26 0.44 119.26 127.10 1h2o h ALA 135 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1h2o h ALA 135 Cb 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1h2o h ALA 135 CO 0.00 -0.25 -0.66 0.78 0.00 0.00 0.00 179.25 179.12 1h2o h GLY 136 N 0.00 0.02 1.89 0.00 0.00 0.13 -2.20 103.07 102.91 1h2o h GLY 136 Ca 0.00 -0.03 -0.22 0.00 0.00 0.00 0.00 47.33 47.08 1h2o h GLY 136 CO 0.00 0.03 -1.04 0.50 0.00 0.00 0.00 176.54 176.02 1h2o h LYS 137 N 0.01 0.08 0.11 4.80 1.57 -0.27 -2.86 116.57 120.01 1h2o h LYS 137 Ca -0.01 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1h2o h LYS 137 Cb 1.17 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1h2o h LYS 137 CO 0.09 1.04 -0.05 1.49 -0.57 0.00 0.00 179.45 181.45 1h2o h GLU 138 N 0.03 -0.15 -0.90 3.15 4.81 -1.41 0.07 114.58 120.18 1h2o h GLU 138 Ca -0.04 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.26 1h2o h GLU 138 Cb 1.78 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 31.13 1h2o h GLU 138 CO 0.15 0.34 0.56 1.57 -0.73 0.00 0.00 179.01 180.90 1h2o h LYS 139 N -0.77 0.98 -0.34 1.92 2.10 -1.52 -1.66 116.57 117.27 1h2o h LYS 139 Ca -0.02 -0.06 -0.17 0.00 -2.00 0.00 0.00 60.65 58.41 1h2o h LYS 139 Cb 0.56 -0.22 -0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1h2o h LYS 139 CO 0.03 0.65 -0.46 0.00 -2.00 0.00 0.00 179.45 177.67 1h2o h ALA 140 N 1.43 0.54 -0.74 0.07 0.00 -1.53 -3.08 119.26 115.95 1h2o h ALA 140 Ca 0.40 -0.48 0.08 0.00 0.00 0.00 0.00 54.91 54.91 1h2o h ALA 140 Cb 0.20 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1h2o h ALA 140 CO -0.18 0.68 0.40 1.03 0.00 0.00 0.00 179.25 181.18 1h2o h SER 141 N 0.72 0.57 -0.79 0.00 0.87 -0.09 -1.16 113.55 113.66 1h2o h SER 141 Ca 0.04 0.04 0.06 0.00 -1.23 0.00 0.00 61.79 60.70 1h2o h SER 141 Cb 1.05 -0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 62.89 1h2o h SER 141 CO 0.11 0.34 0.48 0.78 -0.53 0.00 0.00 176.83 178.01 1h2o h ASN 142 N 0.70 0.76 -0.85 6.23 2.35 -1.27 -1.46 115.58 122.05 1h2o h ASN 142 Ca 0.35 0.02 0.05 0.00 -0.55 0.00 0.00 56.30 56.16 1h2o h ASN 142 Cb 0.30 -0.14 -0.06 0.00 0.05 0.00 0.00 38.32 38.47 1h2o h ASN 142 CO -0.23 0.49 0.53 -0.07 -1.65 0.00 0.00 177.43 176.51 1h2o h LEU 143 N 0.89 0.86 -1.33 1.61 3.38 -1.19 -1.01 115.31 118.53 1h2o h LEU 143 Ca 0.34 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.34 1h2o h LEU 143 Cb 0.14 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1h2o h LEU 143 CO -0.16 0.57 0.47 -0.26 0.09 0.00 0.00 178.44 179.14 1h2o h PHE 144 N 1.00 0.85 0.00 1.13 0.04 -0.88 0.77 116.94 119.86 1h2o h PHE 144 Ca 0.35 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.14 1h2o h PHE 144 Cb 0.10 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 37.96 1h2o h PHE 144 CO -0.03 0.52 0.00 0.87 -0.60 0.00 0.00 178.31 179.07 1h2o h LYS 145 N 0.91 0.00 0.10 1.51 1.57 -0.81 -2.47 116.57 117.37 1h2o h LYS 145 Ca 0.27 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.74 1h2o h LYS 145 Cb -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1h2o h LYS 145 CO -0.07 0.00 -1.55 -0.07 -0.57 0.00 0.00 179.45 177.19 1h2o h LEU 146 N 0.00 0.35 -0.32 2.94 3.38 -0.43 -3.08 115.31 118.15 1h2o h LEU 146 Ca 0.00 -0.50 -0.16 0.00 0.09 0.00 0.00 57.88 57.31 1h2o h LEU 146 Cb 0.44 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1h2o h LEU 146 CO 0.00 1.42 -0.43 0.40 0.09 0.00 0.00 178.44 179.93 1h2o h ILE 147 N 0.06 1.28 -0.61 1.22 2.04 -1.17 -1.34 117.51 118.99 1h2o h ILE 147 Ca -0.25 -1.61 0.01 0.00 1.00 0.00 0.00 64.86 64.02 1h2o h ILE 147 Cb 2.01 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 39.60 1h2o h ILE 147 CO 0.15 0.53 0.39 -0.33 0.00 0.00 0.00 178.15 178.89 1h2o h GLU 148 N 0.64 0.77 -0.01 2.37 5.08 -1.56 -1.13 114.58 120.74 1h2o h GLU 148 Ca 0.04 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1h2o h GLU 148 Cb 1.02 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1h2o h GLU 148 CO 0.10 0.51 -0.38 1.15 -1.00 0.00 0.00 179.01 179.38 1h2o h THR 149 N 0.79 1.28 -0.13 1.13 2.02 -1.43 -0.09 112.91 116.48 1h2o h THR 149 Ca 0.23 -1.33 0.02 0.00 0.77 0.00 0.00 66.41 66.10 1h2o h THR 149 Cb -0.05 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1h2o h THR 149 CO -0.07 0.38 -0.01 0.22 0.37 0.00 0.00 175.52 176.41 1h2o h TYR 150 N 0.02 -0.02 0.00 3.16 3.20 -0.03 0.35 116.97 123.65 1h2o h TYR 150 Ca -0.00 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.74 1h2o h TYR 150 Cb 0.69 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 1h2o h TYR 150 CO 0.00 -0.03 -0.66 -0.07 -1.64 0.00 0.00 178.16 175.77 1h2o h LEU 151 N 0.03 0.00 -0.86 2.82 3.38 -1.32 0.65 115.31 120.01 1h2o h LEU 151 Ca 0.06 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1h2o h LEU 151 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1h2o h LEU 151 CO -0.11 0.66 -0.41 0.50 0.09 0.00 0.00 178.44 179.17 1h2o h LYS 152 N 0.00 0.00 0.00 1.13 3.64 -0.53 -3.28 116.57 117.53 1h2o h LYS 152 Ca -0.01 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.10 1h2o h LYS 152 Cb 1.50 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.27 1h2o h LYS 152 CO 0.09 0.41 -2.03 0.41 -2.27 0.00 0.00 179.45 176.06 1h2o n GLY 153 N 0.29 -0.64 3.20 5.01 0.00 0.12 -4.79 105.19 108.38 1h2o n GLY 153 Ca -0.00 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.36 3.53 -2.00 1.61 3.76 0.22 -4.89 115.29 115.17 1h2o s HIS 154 Ca -0.11 -2.29 0.07 0.00 -0.15 0.00 0.00 55.06 52.58 1h2o s HIS 154 Cb 0.05 -3.48 0.41 0.00 1.11 0.00 0.00 32.58 30.67 1h2o s HIS 154 CO 0.57 -0.92 1.00 -0.35 -0.85 0.00 0.00 174.74 174.19 1h2o n PRO 155 N 3.95 0.69 0.00 8.40 -0.04 -1.26 -2.53 135.00 144.21 1h2o n PRO 155 Ca 0.07 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.59 1h2o n PRO 155 Cb 0.42 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.65 1.41 -4.56 3.54 8.00 -1.26 -4.49 116.55 118.54 1h2o n ASP 156 Ca 0.05 -1.21 -0.41 0.00 0.71 0.00 0.00 54.79 53.94 1h2o n ASP 156 Cb 0.02 0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 41.54 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 -1.56 2.70 -0.26 2.24 0.00 -1.05 -4.13 121.76 119.69 1h2o s ALA 157 Ca 0.11 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 1h2o s ALA 157 Cb 0.10 -4.21 0.03 0.00 0.00 0.00 0.00 23.12 19.04 1h2o s ALA 157 CO 0.31 -3.24 0.08 2.48 0.00 0.00 0.00 175.76 175.39 1h2o n TYR 158 N 9.84 -1.40 -0.57 0.00 4.11 -1.26 -4.97 117.16 122.92 1h2o n TYR 158 Ca 0.08 0.09 0.00 0.00 -0.00 0.00 0.00 57.90 58.08 1h2o n TYR 158 Cb 0.50 -0.87 0.00 0.00 -0.00 0.00 0.00 39.34 38.96 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15