#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 -0.09 -0.15 1.61 1.01 -1.26 -2.71 120.40 118.81 1h2o s VAL 2 Ca 0.00 0.31 -0.21 0.00 0.00 0.00 0.00 61.98 62.08 1h2o s VAL 2 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.23 1h2o s VAL 2 CO 0.00 0.13 0.62 -0.36 0.00 0.00 0.00 175.10 175.49 1h2o s PHE 3 N 1.60 3.45 -0.30 5.22 0.40 -0.56 -4.78 117.98 123.00 1h2o s PHE 3 Ca -0.03 1.00 0.01 0.00 -0.60 0.00 0.00 56.93 57.32 1h2o s PHE 3 Cb -0.12 -2.76 0.07 0.00 0.51 0.00 0.00 43.02 40.71 1h2o s PHE 3 CO -0.03 -0.06 -0.01 0.99 0.70 0.00 0.00 175.22 176.81 1h2o s THR 4 N 1.44 2.60 -0.17 0.64 2.01 -1.26 0.18 115.64 121.08 1h2o s THR 4 Ca 0.30 -1.71 -0.03 0.00 0.31 0.00 0.00 61.69 60.56 1h2o s THR 4 Cb -0.16 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.72 1h2o s THR 4 CO 0.12 -0.22 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.45 1h2o s TYR 5 N 1.13 2.94 0.04 4.92 2.02 0.67 -4.96 117.35 124.10 1h2o s TYR 5 Ca -0.02 -0.63 0.08 0.00 -0.37 0.00 0.00 57.07 56.12 1h2o s TYR 5 Cb -0.20 -1.98 -0.03 0.00 -0.40 0.00 0.00 41.96 39.34 1h2o s TYR 5 CO -0.04 -0.28 -0.21 -1.21 -1.57 0.00 0.00 175.55 172.24 1h2o s GLU 6 N 0.79 1.97 0.25 -0.62 2.02 -1.26 -0.60 118.70 121.25 1h2o s GLU 6 Ca -0.02 -1.03 0.05 0.00 0.02 0.00 0.00 54.97 53.99 1h2o s GLU 6 Cb -0.15 -2.11 -0.05 0.00 0.10 0.00 0.00 34.13 31.92 1h2o s GLU 6 CO 0.02 0.53 -0.04 -1.12 0.02 0.00 0.00 175.26 174.66 1h2o s SER 7 N -1.36 2.37 -0.20 -0.19 0.01 0.12 -4.94 113.70 109.52 1h2o s SER 7 Ca 0.13 -1.19 -0.09 0.00 1.31 0.00 0.00 55.95 56.12 1h2o s SER 7 Cb -0.10 -0.09 0.08 0.00 0.21 0.00 0.00 66.02 66.11 1h2o s SER 7 CO 0.04 -0.40 0.45 -1.61 0.41 0.00 0.00 173.24 172.14 1h2o s GLU 8 N -3.77 0.40 0.22 12.44 2.02 -1.26 0.68 118.70 129.42 1h2o s GLU 8 Ca 0.28 0.99 0.01 0.00 0.02 0.00 0.00 54.97 56.27 1h2o s GLU 8 Cb 0.04 0.22 -0.00 0.00 0.10 0.00 0.00 34.13 34.49 1h2o s GLU 8 CO 0.10 -0.20 0.26 1.97 0.02 0.00 0.00 175.26 177.41 1h2o n PHE 9 N 4.88 -0.87 -4.19 1.61 -1.74 0.04 -4.98 117.46 112.21 1h2o n PHE 9 Ca -0.15 -1.63 -0.15 0.00 -0.56 0.00 0.00 57.45 54.96 1h2o n PHE 9 Cb 0.52 0.29 -0.08 0.00 1.52 0.00 0.00 39.48 41.74 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 -2.75 0.00 0.22 1.97 -4.23 -1.26 0.15 115.64 109.73 1h2o s THR 10 Ca 0.21 -1.87 -0.22 0.00 -1.18 0.00 0.00 61.69 58.63 1h2o s THR 10 Cb 0.00 -2.49 0.05 0.00 1.34 0.00 0.00 72.50 71.39 1h2o s THR 10 CO 0.15 0.00 0.66 -0.55 -0.54 0.00 0.00 174.62 174.34 1h2o s SER 11 N -3.23 -0.42 0.14 3.99 0.15 -0.34 -4.88 113.70 109.12 1h2o s SER 11 Ca 0.37 -0.30 0.20 0.00 0.70 0.00 0.00 55.95 56.91 1h2o s SER 11 Cb 0.03 0.66 -0.06 0.00 -1.71 0.00 0.00 66.02 64.95 1h2o s SER 11 CO 0.18 -1.16 0.96 -0.33 1.20 0.00 0.00 173.24 174.09 1h2o h GLU 12 N 2.00 0.00 -7.11 5.44 5.08 -1.92 0.71 114.58 118.78 1h2o h GLU 12 Ca -0.27 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.58 1h2o h GLU 12 Cb 1.28 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.62 1h2o h GLU 12 CO 0.31 0.15 0.44 0.42 -1.00 0.00 0.00 179.01 179.32 1h2o s ILE 13 N -3.14 2.98 0.45 3.13 -1.09 -1.26 -4.59 121.20 117.67 1h2o s ILE 13 Ca -0.01 0.59 -0.24 0.00 -2.23 0.00 0.00 60.65 58.75 1h2o s ILE 13 Cb 0.09 -3.21 -0.07 0.00 -1.58 0.00 0.00 42.46 37.69 1h2o s ILE 13 CO 0.80 -0.15 1.24 -2.16 -1.23 0.00 0.00 174.94 173.43 1h2o s PRO 14 N -3.41 3.73 0.26 2.79 0.04 -1.26 -4.10 135.00 133.06 1h2o s PRO 14 Ca 0.74 1.98 0.06 0.00 0.04 0.00 0.00 61.00 63.82 1h2o s PRO 14 Cb -0.26 -2.51 0.34 0.00 0.04 0.00 0.00 34.50 32.11 1h2o s PRO 14 CO 0.31 -0.63 1.61 -1.00 0.04 0.00 0.00 177.00 177.33 1h2o h PRO 15 N 2.18 0.18 0.00 0.56 0.13 -1.93 -2.77 132.00 130.35 1h2o h PRO 15 Ca -0.50 -0.11 -0.03 0.00 -0.87 0.00 0.00 66.00 64.50 1h2o h PRO 15 Cb 1.26 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1h2o h PRO 15 CO 0.61 0.69 -0.13 -1.00 -0.23 0.00 0.00 178.00 177.93 1h2o h PRO 16 N 0.14 0.00 0.16 1.56 0.13 -1.96 0.60 132.00 132.63 1h2o h PRO 16 Ca -0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.88 1h2o h PRO 16 Cb 1.02 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.17 1h2o h PRO 16 CO 0.08 0.13 -1.16 0.00 -0.23 0.00 0.00 178.00 176.82 1h2o h ARG 17 N 0.00 0.34 -0.06 0.86 3.08 -1.88 -2.83 114.38 113.90 1h2o h ARG 17 Ca -0.00 -0.59 -0.17 0.00 0.07 0.00 0.00 59.98 59.29 1h2o h ARG 17 Cb 0.56 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1h2o h ARG 17 CO 0.02 1.28 -0.72 1.25 -1.07 0.00 0.00 179.97 180.73 1h2o h LEU 18 N -0.22 0.36 0.95 3.04 7.12 -1.28 -2.58 115.31 122.71 1h2o h LEU 18 Ca -0.22 -0.24 -0.05 0.00 0.13 0.00 0.00 57.88 57.51 1h2o h LEU 18 Cb 1.81 -0.11 0.01 0.00 -0.53 0.00 0.00 40.66 41.84 1h2o h LEU 18 CO 0.16 0.96 -0.46 0.15 -0.13 0.00 0.00 178.44 179.12 1h2o h PHE 19 N 0.21 -1.19 -0.96 1.25 3.57 0.13 0.41 116.94 120.35 1h2o h PHE 19 Ca -0.03 -0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.59 1h2o h PHE 19 Cb 1.28 0.39 -0.08 0.00 2.79 0.00 0.00 35.95 40.33 1h2o h PHE 19 CO 0.03 -0.74 0.61 0.87 -2.23 0.00 0.00 178.31 176.85 1h2o h LYS 20 N -1.30 0.82 -0.27 1.11 1.57 -1.56 0.30 116.57 117.24 1h2o h LYS 20 Ca -0.13 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.47 1h2o h LYS 20 Cb 0.98 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1h2o h LYS 20 CO 0.22 0.54 -0.37 0.00 -0.57 0.00 0.00 179.45 179.26 1h2o h ALA 21 N 1.58 0.84 0.02 3.86 0.00 -1.10 1.90 119.26 126.35 1h2o h ALA 21 Ca 0.49 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1h2o h ALA 21 Cb 0.66 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1h2o h ALA 21 CO -0.26 0.64 -0.11 0.35 0.00 0.00 0.00 179.25 179.87 1h2o h PHE 22 N 0.52 0.08 0.00 0.00 3.57 0.15 -1.02 116.94 120.24 1h2o h PHE 22 Ca 0.05 -0.05 -0.20 0.00 3.53 0.00 0.00 57.97 61.29 1h2o h PHE 22 Cb 0.88 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 1h2o h PHE 22 CO 0.04 1.00 -1.39 0.28 -2.23 0.00 0.00 178.31 176.01 1h2o n VAL 23 N -4.56 1.50 1.89 1.41 0.31 0.90 -2.97 118.33 116.82 1h2o n VAL 23 Ca -0.10 -0.04 0.16 0.00 -0.01 0.00 0.00 64.34 64.35 1h2o n VAL 23 Cb 0.51 -2.13 0.91 0.00 -0.91 0.00 0.00 33.84 32.22 1h2o n VAL 23 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1h2o n LEU 24 N -4.43 0.00 -0.78 7.52 4.32 0.46 -3.84 117.00 120.25 1h2o n LEU 24 Ca -0.29 0.05 -0.00 0.00 -0.02 0.00 0.00 56.01 55.75 1h2o n LEU 24 Cb 0.61 -0.05 -0.01 0.00 -1.62 0.00 0.00 43.42 42.36 1h2o n LEU 24 CO 0.13 0.00 0.22 -0.67 -1.22 0.00 0.00 177.39 175.85 1h2o n ASP 25 N -1.05 0.08 0.07 -1.43 2.03 0.62 -4.84 116.55 112.02 1h2o n ASP 25 Ca 0.22 -1.75 0.08 0.00 0.52 0.00 0.00 54.79 53.86 1h2o n ASP 25 Cb 0.13 -0.10 0.35 0.00 -0.72 0.00 0.00 41.12 40.79 1h2o n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h2o n ALA 26 N 0.11 1.39 0.71 -1.67 0.00 -0.39 -1.16 120.51 119.49 1h2o n ALA 26 Ca -0.03 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.60 1h2o n ALA 26 Cb 0.74 -1.25 0.45 0.00 0.00 0.00 0.00 19.45 19.40 1h2o n ALA 26 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1h2o n ASP 27 N -1.87 0.64 0.00 0.00 8.00 -1.26 -3.87 116.55 118.19 1h2o n ASP 27 Ca 0.01 0.56 0.00 0.00 0.71 0.00 0.00 54.79 56.07 1h2o n ASP 27 Cb 0.12 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 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 -2.10 0.37 -0.08 -2.24 0.23 -0.62 -4.36 115.26 106.45 1h2o n ASN 28 Ca 0.06 -1.14 -0.20 0.00 -0.53 0.00 0.00 54.58 52.77 1h2o n ASN 28 Cb 0.41 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.99 1h2o n ASN 28 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1h2o n LEU 29 N -0.07 2.81 0.10 -4.53 -0.00 -0.31 -3.94 117.00 111.06 1h2o n LEU 29 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.78 1h2o n LEU 29 Cb 0.35 -0.98 -0.15 0.00 -0.00 0.00 0.00 43.42 42.64 1h2o n LEU 29 CO 0.00 0.89 -0.32 0.58 -0.00 0.00 0.00 177.39 178.54 1h2o h VAL 30 N -0.03 1.17 0.00 1.96 2.07 -1.81 -2.68 116.25 116.93 1h2o h VAL 30 Ca -0.53 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 64.41 1h2o h VAL 30 Cb 1.92 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 34.63 1h2o h VAL 30 CO -0.05 0.80 0.00 -0.81 0.02 0.00 0.00 177.57 177.54 1h2o n PRO 31 N -3.75 0.95 0.00 1.57 -0.04 -1.26 -2.46 135.00 130.00 1h2o n PRO 31 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1h2o n PRO 31 Cb 1.04 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 33.43 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 -0.42 1.86 0.14 0.54 4.81 -1.23 -4.61 118.16 119.23 1h2o n LYS 32 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.21 1h2o n LYS 32 Cb 0.03 -0.89 -0.15 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 1.17 0.00 0.00 177.40 179.39 1h2o h ILE 33 N 0.00 1.33 -2.65 3.15 2.04 -1.50 -3.42 117.51 116.45 1h2o h ILE 33 Ca 0.00 -2.79 -0.53 0.00 1.00 0.00 0.00 64.86 62.55 1h2o h ILE 33 Cb 0.78 3.02 -0.39 0.00 -0.74 0.00 0.00 36.82 39.49 1h2o h ILE 33 CO 0.00 0.83 -0.79 0.00 0.00 0.00 0.00 178.15 178.19 1h2o s ALA 34 N -2.61 0.60 -1.75 1.87 0.00 -1.03 -4.96 121.76 113.87 1h2o s ALA 34 Ca -0.08 -1.26 0.18 0.00 0.00 0.00 0.00 51.96 50.80 1h2o s ALA 34 Cb 0.05 -1.50 0.99 0.00 0.00 0.00 0.00 23.12 22.65 1h2o s ALA 34 CO 0.93 -1.81 1.49 -0.35 0.00 0.00 0.00 175.76 176.03 1h2o n PRO 35 N 4.86 0.42 0.04 0.00 -0.04 -1.26 -2.43 135.00 136.59 1h2o n PRO 35 Ca 0.00 0.05 -0.01 0.00 -0.04 0.00 0.00 63.50 63.51 1h2o n PRO 35 Cb 0.41 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.29 1h2o n PRO 35 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1h2o h GLN 36 N 0.00 0.00 0.00 0.54 3.07 -1.93 -3.39 115.11 113.40 1h2o h GLN 36 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1h2o h GLN 36 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.63 1h2o h GLN 36 CO 0.00 0.37 0.00 0.00 0.09 0.00 0.00 178.83 179.29 1h2o n ALA 37 N -2.39 0.00 -2.80 0.06 0.00 -1.02 -4.19 120.51 110.16 1h2o n ALA 37 Ca -0.09 -0.05 -0.36 0.00 0.00 0.00 0.00 53.44 52.95 1h2o n ALA 37 Cb 0.86 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.23 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 -0.66 5.04 -0.15 0.00 1.09 -1.23 -3.60 121.20 121.69 1h2o s ILE 38 Ca 0.00 0.04 0.12 0.00 -1.10 0.00 0.00 60.65 59.71 1h2o s ILE 38 Cb 0.00 -3.20 -0.23 0.00 -1.06 0.00 0.00 42.46 37.97 1h2o s ILE 38 CO 0.00 0.57 0.23 1.17 -0.10 0.00 0.00 174.94 176.81 1h2o n LYS 39 N 2.46 0.67 -3.53 2.79 4.81 0.46 -4.32 118.16 121.50 1h2o n LYS 39 Ca -0.19 0.13 -0.09 0.00 -0.87 0.00 0.00 58.31 57.29 1h2o n LYS 39 Cb 0.54 -1.62 -0.03 0.00 0.02 0.00 0.00 35.03 33.94 1h2o n LYS 39 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1h2o s HIS 40 N -2.53 -0.35 0.04 5.64 5.04 -1.24 -4.92 115.29 116.96 1h2o s HIS 40 Ca -0.13 0.36 0.07 0.00 -1.54 0.00 0.00 55.06 53.82 1h2o s HIS 40 Cb 0.07 0.51 -0.03 0.00 0.04 0.00 0.00 32.58 33.16 1h2o s HIS 40 CO 0.79 -0.46 -0.17 -1.54 -2.34 0.00 0.00 174.74 171.01 1h2o s SER 41 N -2.01 3.85 -0.31 9.88 1.04 -1.26 -1.40 113.70 123.49 1h2o s SER 41 Ca 0.03 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.07 1h2o s SER 41 Cb -0.01 -0.64 0.15 0.00 0.10 0.00 0.00 66.02 65.62 1h2o s SER 41 CO -0.05 0.26 0.35 -0.70 0.98 0.00 0.00 173.24 174.08 1h2o s GLU 42 N -1.41 0.43 0.20 4.02 2.12 -1.16 -5.00 118.70 117.90 1h2o s GLU 42 Ca 0.15 -0.22 -0.33 0.00 0.36 0.00 0.00 54.97 54.93 1h2o s GLU 42 Cb -0.11 -0.56 -0.13 0.00 0.26 0.00 0.00 34.13 33.60 1h2o s GLU 42 CO 0.05 -1.07 1.63 -0.89 -0.54 0.00 0.00 175.26 174.44 1h2o n ILE 43 N 5.08 0.16 -0.10 -3.70 5.41 -1.26 -1.81 119.36 123.13 1h2o n ILE 43 Ca 0.02 -0.04 -0.12 0.00 1.00 0.00 0.00 62.75 63.61 1h2o n ILE 43 Cb 0.47 -1.75 -0.12 0.00 -0.71 0.00 0.00 39.64 37.53 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 3.44 1.57 -4.46 1.39 4.77 0.70 -4.87 117.00 119.54 1h2o n LEU 44 Ca 0.15 -0.06 -0.23 0.00 -0.03 0.00 0.00 56.01 55.84 1h2o n LEU 44 Cb 0.32 -0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 41.10 1h2o n LEU 44 CO 0.64 0.67 -0.41 0.26 -1.33 0.00 0.00 177.39 177.22 1h2o s TRP 45 N -2.44 2.11 0.00 -1.77 0.52 -0.81 -4.83 118.94 111.73 1h2o s TRP 45 Ca -0.20 -0.53 0.00 0.00 0.02 0.00 0.00 56.10 55.38 1h2o s TRP 45 Cb 0.07 -1.10 0.00 0.00 -1.15 0.00 0.00 33.47 31.28 1h2o s TRP 45 CO 0.62 0.48 0.00 0.41 0.02 0.00 0.00 176.95 178.48 1h2o n GLY 46 N -0.61 1.82 0.65 0.98 0.00 -1.26 -3.11 105.19 103.66 1h2o n GLY 46 Ca -0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.65 -0.10 0.00 1.61 2.03 -1.26 -4.94 116.55 113.23 1h2o n ASP 47 Ca 0.00 -1.46 0.00 0.00 0.52 0.00 0.00 54.79 53.85 1h2o n ASP 47 Cb 0.00 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 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 0.03 1.98 0.68 0.27 0.00 -1.26 -5.11 105.19 101.78 1h2o n GLY 48 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.70 3.71 -0.02 0.00 -1.26 -4.85 105.19 100.07 1h2o n GLY 49 Ca 0.00 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.47 4.41 0.00 1.61 0.04 -1.26 -2.70 135.00 133.61 1h2o s PRO 50 Ca 0.14 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1h2o s PRO 50 Cb -0.01 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1h2o s PRO 50 CO 0.11 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.25 1h2o n GLY 51 N 3.28 0.17 3.80 0.56 0.00 0.40 -4.96 105.19 108.44 1h2o n GLY 51 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 3.81 -0.14 2.61 2.01 -1.10 -4.64 115.64 116.20 1h2o s THR 52 Ca 0.00 0.63 -0.00 0.00 0.31 0.00 0.00 61.69 62.63 1h2o s THR 52 Cb 0.00 -3.27 0.02 0.00 0.01 0.00 0.00 72.50 69.26 1h2o s THR 52 CO 0.00 -0.73 -0.11 -0.63 -0.69 0.00 0.00 174.62 172.46 1h2o s ILE 53 N -2.91 1.32 -0.13 1.82 1.01 -1.18 0.68 121.20 121.81 1h2o s ILE 53 Ca 0.60 -0.50 -0.05 0.00 0.00 0.00 0.00 60.65 60.70 1h2o s ILE 53 Cb -0.15 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 1h2o s ILE 53 CO 0.52 0.40 0.04 -0.54 0.00 0.00 0.00 174.94 175.36 1h2o s LYS 54 N 1.59 3.48 -0.67 2.79 1.02 0.42 0.25 119.74 128.61 1h2o s LYS 54 Ca 0.05 -0.36 -0.11 0.00 0.02 0.00 0.00 55.97 55.57 1h2o s LYS 54 Cb -0.13 -3.01 0.17 0.00 -0.52 0.00 0.00 37.83 34.35 1h2o s LYS 54 CO -0.09 0.51 0.57 0.21 -0.92 0.00 0.00 175.35 175.63 1h2o s LYS 55 N -0.32 3.06 0.10 1.68 2.20 -0.75 0.29 119.74 126.01 1h2o s LYS 55 Ca 0.08 -2.24 -0.30 0.00 -0.36 0.00 0.00 55.97 53.14 1h2o s LYS 55 Cb -0.12 -4.15 -0.06 0.00 -1.51 0.00 0.00 37.83 31.99 1h2o s LYS 55 CO 0.02 -1.25 0.96 0.42 -0.36 0.00 0.00 175.35 175.14 1h2o s ILE 56 N 0.53 4.53 0.18 5.43 1.01 -0.60 -2.97 121.20 129.33 1h2o s ILE 56 Ca 0.13 2.07 0.06 0.00 0.00 0.00 0.00 60.65 62.91 1h2o s ILE 56 Cb -0.18 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 1h2o s ILE 56 CO -0.04 0.30 0.11 0.42 0.00 0.00 0.00 174.94 175.73 1h2o s THR 57 N 0.09 4.29 0.12 2.92 -4.23 -0.49 0.39 115.64 118.73 1h2o s THR 57 Ca 0.47 -1.23 0.07 0.00 -1.18 0.00 0.00 61.69 59.82 1h2o s THR 57 Cb -0.23 -3.21 -0.04 0.00 1.34 0.00 0.00 72.50 70.36 1h2o s THR 57 CO 0.30 -0.16 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.81 1h2o s PHE 58 N -1.83 2.82 0.99 3.99 0.08 0.71 0.17 117.98 124.91 1h2o s PHE 58 Ca 0.31 -0.12 -0.17 0.00 0.12 0.00 0.00 56.93 57.07 1h2o s PHE 58 Cb -0.09 -1.44 -0.10 0.00 -0.57 0.00 0.00 43.02 40.82 1h2o s PHE 58 CO 0.23 0.47 -0.53 0.41 -0.10 0.00 0.00 175.22 175.69 1h2o n GLY 59 N 0.45 -3.84 0.00 4.36 0.00 -1.24 -4.38 105.19 100.54 1h2o n GLY 59 Ca -0.12 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1h2o n GLY 59 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h2o n GLU 60 N 1.32 0.00 0.00 1.61 1.02 -1.26 -4.54 120.64 118.79 1h2o n GLU 60 Ca 0.00 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1h2o n GLU 60 Cb 0.57 -0.68 0.00 0.00 -0.02 0.00 0.00 31.44 31.31 1h2o n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h2o n GLY 61 N -0.30 0.86 0.00 0.62 0.00 -1.26 -4.52 105.19 100.59 1h2o n GLY 61 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1h2o n GLY 61 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h2o n SER 62 N 5.46 0.00 0.05 1.61 3.41 -1.26 -4.96 113.62 117.93 1h2o n SER 62 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 1h2o n SER 62 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1h2o n SER 62 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1h2o h GLN 63 N 0.00 0.00 -1.08 4.33 4.20 -1.97 -3.47 115.11 117.12 1h2o h GLN 63 Ca 0.00 0.00 0.20 0.00 0.06 0.00 0.00 58.65 58.91 1h2o h GLN 63 Cb 0.00 0.00 -0.33 0.00 0.30 0.00 0.00 27.48 27.45 1h2o h GLN 63 CO 0.00 0.71 0.76 -0.47 -0.67 0.00 0.00 178.83 179.16 1h2o s TYR 64 N -2.75 -0.08 -0.02 2.96 6.14 -1.26 -5.08 117.35 117.26 1h2o s TYR 64 Ca -0.00 0.16 0.01 0.00 0.64 0.00 0.00 57.07 57.88 1h2o s TYR 64 Cb 0.09 0.11 0.01 0.00 0.42 0.00 0.00 41.96 42.59 1h2o s TYR 64 CO 0.81 -0.04 -0.04 0.20 0.64 0.00 0.00 175.55 177.12 1h2o s GLY 65 N 0.91 0.31 -0.08 8.97 0.00 -1.26 -5.04 107.32 111.14 1h2o s GLY 65 Ca -0.06 -0.06 -0.32 0.00 0.00 0.00 0.00 44.72 44.28 1h2o s GLY 65 CO -0.11 0.22 1.38 -2.52 0.00 0.00 0.00 173.10 172.07 1h2o s TYR 66 N 0.51 -0.02 0.30 1.90 -0.85 -1.26 0.25 117.35 118.19 1h2o s TYR 66 Ca -0.06 -0.02 0.03 0.00 -0.52 0.00 0.00 57.07 56.50 1h2o s TYR 66 Cb -0.09 0.52 -0.03 0.00 0.38 0.00 0.00 41.96 42.74 1h2o s TYR 66 CO -0.00 -0.11 0.29 0.14 -1.52 0.00 0.00 175.55 174.35 1h2o s VAL 67 N -2.18 0.00 -0.11 -3.49 -7.23 0.16 -4.36 120.40 103.19 1h2o s VAL 67 Ca 0.14 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 58.42 1h2o s VAL 67 Cb 0.06 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.50 1h2o s VAL 67 CO -0.06 0.00 -0.11 -0.75 -0.31 0.00 0.00 175.10 173.87 1h2o s LYS 68 N -3.53 1.83 -0.15 4.82 2.20 -0.75 -1.55 119.74 122.61 1h2o s LYS 68 Ca 0.38 -0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.60 1h2o s LYS 68 Cb 0.03 -1.70 -0.00 0.00 -1.51 0.00 0.00 37.83 34.64 1h2o s LYS 68 CO 0.22 -0.17 -0.16 -1.01 -0.36 0.00 0.00 175.35 173.88 1h2o s HIS 69 N 1.33 2.77 -0.30 4.03 3.76 0.15 -2.46 115.29 124.57 1h2o s HIS 69 Ca -0.01 -0.97 -0.10 0.00 -0.15 0.00 0.00 55.06 53.83 1h2o s HIS 69 Cb -0.14 -1.87 -0.02 0.00 1.11 0.00 0.00 32.58 31.67 1h2o s HIS 69 CO -0.05 -0.42 0.17 0.21 -0.85 0.00 0.00 174.74 173.79 1h2o s LYS 70 N 0.69 3.56 0.15 1.40 2.20 -0.21 0.16 119.74 127.68 1h2o s LYS 70 Ca -0.07 -0.58 -0.31 0.00 -0.36 0.00 0.00 55.97 54.65 1h2o s LYS 70 Cb -0.16 -3.60 -0.11 0.00 -1.51 0.00 0.00 37.83 32.46 1h2o s LYS 70 CO 0.02 -0.33 1.81 0.42 -0.36 0.00 0.00 175.35 176.90 1h2o s ILE 71 N 1.67 2.36 -0.21 5.43 -1.09 0.21 -0.63 121.20 128.94 1h2o s ILE 71 Ca 0.06 0.01 0.05 0.00 -2.23 0.00 0.00 60.65 58.54 1h2o s ILE 71 Cb -0.17 -3.01 -0.21 0.00 -1.58 0.00 0.00 42.46 37.50 1h2o s ILE 71 CO 0.08 0.00 -0.01 0.47 -1.23 0.00 0.00 174.94 174.25 1h2o n ASP 72 N 5.20 1.44 -3.64 3.58 8.00 0.66 0.15 116.55 131.95 1h2o n ASP 72 Ca 0.17 -0.02 -0.03 0.00 0.71 0.00 0.00 54.79 55.63 1h2o n ASP 72 Cb 0.37 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 1h2o n ASP 72 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1h2o s SER 73 N -6.31 -0.04 0.05 -2.24 1.04 -0.00 -4.59 113.70 101.60 1h2o s SER 73 Ca -0.25 0.01 -0.01 0.00 0.48 0.00 0.00 55.95 56.19 1h2o s SER 73 Cb 0.08 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.20 1h2o s SER 73 CO 0.70 -0.06 -0.03 -0.63 0.98 0.00 0.00 173.24 174.19 1h2o s ILE 74 N -1.83 0.24 -0.41 -1.02 1.01 -1.26 -0.14 121.20 117.79 1h2o s ILE 74 Ca 0.10 -1.66 0.04 0.00 0.00 0.00 0.00 60.65 59.13 1h2o s ILE 74 Cb -0.01 -1.31 0.17 0.00 0.01 0.00 0.00 42.46 41.31 1h2o s ILE 74 CO -0.04 -0.90 0.36 -1.81 0.00 0.00 0.00 174.94 172.55 1h2o s ASP 75 N -2.67 1.33 0.28 3.58 1.01 -1.07 -4.95 116.67 114.18 1h2o s ASP 75 Ca 0.03 -2.66 0.22 0.00 0.71 0.00 0.00 52.55 50.85 1h2o s ASP 75 Cb 0.05 -0.10 1.04 0.00 1.01 0.00 0.00 42.92 44.92 1h2o s ASP 75 CO -0.08 -0.19 1.68 1.17 0.21 0.00 0.00 175.17 177.96 1h2o n LYS 76 N 3.16 0.17 0.01 8.23 4.81 -1.26 0.25 118.16 133.53 1h2o n LYS 76 Ca 0.24 0.50 -0.07 0.00 -0.87 0.00 0.00 58.31 58.12 1h2o n LYS 76 Cb 0.47 -1.90 -0.12 0.00 0.02 0.00 0.00 35.03 33.50 1h2o n LYS 76 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1h2o h GLU 77 N 0.00 0.00 -0.01 1.64 5.08 -1.96 -3.34 114.58 115.99 1h2o h GLU 77 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1h2o h GLU 77 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1h2o h GLU 77 CO 0.00 0.58 -0.34 0.09 -1.00 0.00 0.00 179.01 178.34 1h2o n ASN 78 N -3.10 1.29 -2.87 1.42 3.02 -0.68 -5.01 115.26 109.34 1h2o n ASN 78 Ca -0.12 -1.14 -0.13 0.00 -0.03 0.00 0.00 54.58 53.16 1h2o n ASN 78 Cb 0.99 0.57 0.06 0.00 -0.61 0.00 0.00 39.78 40.80 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 -0.39 -1.75 -4.59 3.10 4.01 0.69 -4.34 117.16 113.89 1h2o n TYR 79 Ca 0.05 0.71 -0.27 0.00 -0.16 0.00 0.00 57.90 58.22 1h2o n TYR 79 Cb 0.27 -4.19 -0.09 0.00 -0.31 0.00 0.00 39.34 35.02 1h2o n TYR 79 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1h2o s SER 80 N -3.82 3.26 -0.12 7.72 0.15 -0.66 0.66 113.70 120.89 1h2o s SER 80 Ca 0.11 -1.58 -0.24 0.00 0.70 0.00 0.00 55.95 54.94 1h2o s SER 80 Cb -0.01 0.30 0.06 0.00 -1.71 0.00 0.00 66.02 64.65 1h2o s SER 80 CO 0.57 -0.79 0.58 -0.47 1.20 0.00 0.00 173.24 174.32 1h2o s TYR 81 N -3.06 -0.58 -0.13 3.44 5.04 0.41 -2.59 117.35 119.89 1h2o s TYR 81 Ca 0.22 1.18 -0.05 0.00 -2.44 0.00 0.00 57.07 55.97 1h2o s TYR 81 Cb 0.04 0.28 0.06 0.00 0.35 0.00 0.00 41.96 42.69 1h2o s TYR 81 CO 0.11 -0.45 0.27 -1.12 -1.34 0.00 0.00 175.55 173.03 1h2o s SER 82 N -0.59 0.05 0.35 4.32 0.01 0.80 -0.21 113.70 118.44 1h2o s SER 82 Ca -0.07 0.61 0.01 0.00 1.31 0.00 0.00 55.95 57.82 1h2o s SER 82 Cb -0.03 0.64 -0.00 0.00 0.21 0.00 0.00 66.02 66.84 1h2o s SER 82 CO 0.05 -0.21 0.43 0.00 0.41 0.00 0.00 173.24 173.92 1h2o n TYR 83 N 4.90 -1.26 -4.11 2.43 4.11 -0.46 0.24 117.16 123.02 1h2o n TYR 83 Ca -0.14 -2.57 -0.14 0.00 -0.00 0.00 0.00 57.90 55.05 1h2o n TYR 83 Cb 0.51 0.48 -0.12 0.00 -0.00 0.00 0.00 39.34 40.21 1h2o n TYR 83 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1h2o s THR 84 N -3.01 0.54 -0.29 -3.48 2.01 0.20 -0.57 115.64 111.03 1h2o s THR 84 Ca 0.34 -0.83 -0.10 0.00 0.31 0.00 0.00 61.69 61.40 1h2o s THR 84 Cb -0.00 -0.56 -0.03 0.00 0.01 0.00 0.00 72.50 71.92 1h2o s THR 84 CO 0.24 -0.22 0.17 -0.22 -0.69 0.00 0.00 174.62 173.90 1h2o s LEU 85 N -1.14 4.03 0.00 4.42 0.20 -0.73 -1.05 118.68 124.42 1h2o s LEU 85 Ca -0.06 -0.28 0.08 0.00 0.69 0.00 0.00 54.13 54.56 1h2o s LEU 85 Cb -0.08 -2.05 -0.02 0.00 -0.43 0.00 0.00 46.19 43.61 1h2o s LEU 85 CO 0.00 -0.13 0.48 2.30 -0.29 0.00 0.00 176.35 178.72 1h2o n ILE 86 N 5.02 0.00 -3.72 6.68 -5.35 -1.03 -1.66 119.36 119.31 1h2o n ILE 86 Ca -0.14 -0.39 -0.13 0.00 -0.27 0.00 0.00 62.75 61.81 1h2o n ILE 86 Cb 0.51 1.07 -0.13 0.00 -1.74 0.00 0.00 39.64 39.34 1h2o n ILE 86 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1h2o s GLU 87 N -1.30 0.17 -0.30 6.28 2.12 -1.25 -4.92 118.70 119.51 1h2o s GLU 87 Ca 0.05 0.53 -0.19 0.00 0.36 0.00 0.00 54.97 55.72 1h2o s GLU 87 Cb 0.06 -0.13 0.20 0.00 0.26 0.00 0.00 34.13 34.52 1h2o s GLU 87 CO 0.22 -0.19 1.28 0.20 -0.54 0.00 0.00 175.26 176.24 1h2o s GLY 88 N 1.44 0.29 0.57 -1.50 0.00 -1.26 -1.80 107.32 105.05 1h2o s GLY 88 Ca -0.07 3.66 0.29 0.00 0.00 0.00 0.00 44.72 48.59 1h2o s GLY 88 CO -0.08 3.37 1.92 -0.55 0.00 0.00 0.00 173.10 177.75 1h2o h ASP 89 N 7.01 0.00 1.05 1.64 3.32 -1.99 0.56 116.42 128.02 1h2o h ASP 89 Ca -0.14 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1h2o h ASP 89 Cb 1.13 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 1h2o h ASP 89 CO 0.07 0.00 -0.05 0.00 -1.72 0.00 0.00 179.24 177.53 1h2o h ALA 90 N 1.53 1.01 0.00 3.45 0.00 -1.95 -2.73 119.26 120.57 1h2o h ALA 90 Ca 0.26 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1h2o h ALA 90 Cb 1.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1h2o h ALA 90 CO -0.00 0.07 -0.23 -0.07 0.00 0.00 0.00 179.25 179.02 1h2o h LEU 91 N 0.00 0.00 0.00 0.00 3.38 -0.21 -3.48 115.31 115.00 1h2o h LEU 91 Ca -0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 1h2o h LEU 91 Cb 0.60 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1h2o h LEU 91 CO 0.01 0.23 -0.18 0.61 0.09 0.00 0.00 178.44 179.19 1h2o n GLY 92 N -0.10 -0.80 0.08 0.83 0.00 -1.03 -1.40 105.19 102.76 1h2o n GLY 92 Ca -0.01 -0.55 0.05 0.00 0.00 0.00 0.00 46.02 45.52 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 -4.12 0.22 -0.04 1.61 8.00 -1.26 -3.35 116.55 117.62 1h2o n ASP 93 Ca 0.00 -1.71 -0.07 0.00 0.71 0.00 0.00 54.79 53.73 1h2o n ASP 93 Cb 0.23 -0.02 -0.14 0.00 -0.02 0.00 0.00 41.12 41.17 1h2o n ASP 93 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1h2o n THR 94 N -0.52 1.37 -4.17 -3.53 -2.24 -1.21 -4.79 114.28 99.18 1h2o n THR 94 Ca 0.08 -0.78 -0.29 0.00 -2.27 0.00 0.00 64.05 60.79 1h2o n THR 94 Cb 0.07 -0.72 -0.08 0.00 -2.10 0.00 0.00 70.33 67.49 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 -5.74 3.32 0.00 3.22 1.43 -0.49 -2.71 118.68 117.71 1h2o s LEU 95 Ca -0.06 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1h2o s LEU 95 Cb 0.08 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1h2o s LEU 95 CO 0.83 0.14 0.00 -0.62 0.23 0.00 0.00 176.35 176.93 1h2o n GLU 96 N 0.34 0.00 -2.71 1.70 1.02 -0.88 -4.69 120.64 115.42 1h2o n GLU 96 Ca -0.11 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.61 1h2o n GLU 96 Cb 0.53 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.92 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 4.47 0.07 3.49 1.02 -1.16 -4.66 119.74 122.97 1h2o s LYS 97 Ca 0.00 1.37 0.08 0.00 0.02 0.00 0.00 55.97 57.45 1h2o s LYS 97 Cb 0.00 -3.51 -0.03 0.00 -0.52 0.00 0.00 37.83 33.77 1h2o s LYS 97 CO 0.00 -0.21 -0.20 0.42 -0.92 0.00 0.00 175.35 174.45 1h2o s ILE 98 N 1.61 2.68 -0.11 2.17 -1.09 -0.66 -0.36 121.20 125.43 1h2o s ILE 98 Ca 0.49 -1.34 0.02 0.00 -2.23 0.00 0.00 60.65 57.58 1h2o s ILE 98 Cb -0.19 -2.15 0.02 0.00 -1.58 0.00 0.00 42.46 38.55 1h2o s ILE 98 CO 0.21 0.26 -0.15 -0.44 -1.23 0.00 0.00 174.94 173.59 1h2o s SER 99 N -1.65 2.49 -0.01 3.58 0.01 0.19 -1.78 113.70 116.54 1h2o s SER 99 Ca 0.15 -0.44 0.08 0.00 1.31 0.00 0.00 55.95 57.05 1h2o s SER 99 Cb -0.10 -1.11 -0.02 0.00 0.21 0.00 0.00 66.02 64.99 1h2o s SER 99 CO 0.06 0.01 -0.25 -0.31 0.41 0.00 0.00 173.24 173.17 1h2o s TYR 100 N 1.04 2.20 -0.08 2.43 2.02 0.26 0.17 117.35 125.38 1h2o s TYR 100 Ca -0.05 -0.41 -0.06 0.00 -0.37 0.00 0.00 57.07 56.17 1h2o s TYR 100 Cb -0.15 -1.40 0.03 0.00 -0.40 0.00 0.00 41.96 40.04 1h2o s TYR 100 CO -0.03 -0.01 0.20 -2.00 -1.57 0.00 0.00 175.55 172.14 1h2o s GLU 101 N -0.69 0.21 -0.04 -0.62 2.12 0.45 -1.35 118.70 118.77 1h2o s GLU 101 Ca 0.10 0.33 0.01 0.00 0.36 0.00 0.00 54.97 55.77 1h2o s GLU 101 Cb -0.09 0.03 0.02 0.00 0.26 0.00 0.00 34.13 34.35 1h2o s GLU 101 CO -0.00 -0.07 -0.03 0.99 -0.54 0.00 0.00 175.26 175.60 1h2o s THR 102 N 0.45 0.45 0.04 -1.70 2.01 0.71 -0.02 115.64 117.57 1h2o s THR 102 Ca -0.03 -0.07 0.07 0.00 0.31 0.00 0.00 61.69 61.96 1h2o s THR 102 Cb -0.04 -0.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.95 1h2o s THR 102 CO -0.02 0.21 -0.19 -0.75 -0.69 0.00 0.00 174.62 173.17 1h2o s LYS 103 N 0.93 1.29 0.21 4.92 2.20 0.22 0.16 119.74 129.67 1h2o s LYS 103 Ca -0.11 -0.87 0.10 0.00 -0.36 0.00 0.00 55.97 54.74 1h2o s LYS 103 Cb -0.14 -1.37 -0.04 0.00 -1.51 0.00 0.00 37.83 34.76 1h2o s LYS 103 CO -0.00 0.35 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.66 1h2o s LEU 104 N -1.09 2.70 0.00 5.43 1.43 0.21 0.20 118.68 127.56 1h2o s LEU 104 Ca 0.06 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1h2o s LEU 104 Cb -0.08 -1.37 0.00 0.00 0.03 0.00 0.00 46.19 44.77 1h2o s LEU 104 CO 0.01 0.09 0.00 0.52 0.23 0.00 0.00 176.35 177.21 1h2o n VAL 105 N -0.03 0.00 -4.84 -1.59 0.31 0.44 -4.69 118.33 107.93 1h2o n VAL 105 Ca -0.10 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 63.94 1h2o n VAL 105 Cb 0.57 0.00 -0.15 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 -1.43 2.04 0.41 3.52 0.00 -1.26 -0.82 121.76 124.21 1h2o s ALA 106 Ca 0.00 -1.17 0.08 0.00 0.00 0.00 0.00 51.96 50.87 1h2o s ALA 106 Cb 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.69 1h2o s ALA 106 CO 0.00 0.48 0.52 -1.54 0.00 0.00 0.00 175.76 175.22 1h2o s SER 107 N -1.14 5.59 0.05 0.00 1.04 0.90 -4.56 113.70 115.57 1h2o s SER 107 Ca 0.10 -0.45 0.20 0.00 0.48 0.00 0.00 55.95 56.28 1h2o s SER 107 Cb -0.09 -0.71 0.84 0.00 0.10 0.00 0.00 66.02 66.15 1h2o s SER 107 CO 0.02 -0.70 1.64 -0.81 0.98 0.00 0.00 173.24 174.36 1h2o n PRO 108 N -1.77 0.04 -0.16 4.02 -0.04 -1.26 -2.44 135.00 133.39 1h2o n PRO 108 Ca 0.06 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.85 1h2o n PRO 108 Cb 0.59 -1.57 0.21 0.00 -0.04 0.00 0.00 33.50 32.69 1h2o n PRO 108 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1h2o n SER 109 N -1.64 3.34 0.00 3.54 7.64 -1.26 -4.94 113.62 120.29 1h2o n SER 109 Ca 0.04 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.94 1h2o n SER 109 Cb 0.24 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1h2o n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h2o n GLY 110 N 1.48 3.00 3.19 0.23 0.00 -1.02 -5.05 105.19 107.01 1h2o n GLY 110 Ca 0.19 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.29 3.16 -0.02 0.00 -1.26 -4.53 105.19 99.24 1h2o n GLY 111 Ca 0.00 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.66 2.67 0.41 1.61 1.04 0.25 -0.07 113.70 116.95 1h2o s SER 112 Ca 0.58 -0.48 -0.21 0.00 0.48 0.00 0.00 55.95 56.32 1h2o s SER 112 Cb -0.12 -1.23 -0.11 0.00 0.10 0.00 0.00 66.02 64.67 1h2o s SER 112 CO 0.51 0.12 0.94 -0.63 0.98 0.00 0.00 173.24 175.16 1h2o s ILE 113 N 0.44 4.39 -0.13 -1.02 1.01 -0.00 -1.19 121.20 124.69 1h2o s ILE 113 Ca -0.18 1.49 -0.00 0.00 0.00 0.00 0.00 60.65 61.97 1h2o s ILE 113 Cb -0.17 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 38.68 1h2o s ILE 113 CO 0.07 -0.26 -0.08 -0.63 0.00 0.00 0.00 174.94 174.04 1h2o s ILE 114 N -2.11 1.13 -0.20 2.92 1.01 0.39 0.16 121.20 124.50 1h2o s ILE 114 Ca 0.60 -0.42 -0.09 0.00 0.00 0.00 0.00 60.65 60.74 1h2o s ILE 114 Cb -0.10 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.15 1h2o s ILE 114 CO 0.14 0.33 0.11 -0.75 0.00 0.00 0.00 174.94 174.78 1h2o s LYS 115 N 1.66 4.10 0.13 2.79 2.20 0.54 -0.78 119.74 130.38 1h2o s LYS 115 Ca 0.04 -0.27 0.07 0.00 -0.36 0.00 0.00 55.97 55.45 1h2o s LYS 115 Cb -0.13 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 1h2o s LYS 115 CO -0.08 0.24 -0.03 0.45 -0.36 0.00 0.00 175.35 175.57 1h2o s SER 116 N 0.50 4.72 -0.29 1.43 0.15 0.21 0.73 113.70 121.15 1h2o s SER 116 Ca 0.06 -0.34 -0.13 0.00 0.70 0.00 0.00 55.95 56.24 1h2o s SER 116 Cb -0.12 -1.00 0.10 0.00 -1.71 0.00 0.00 66.02 63.29 1h2o s SER 116 CO -0.00 0.14 0.67 -0.89 1.20 0.00 0.00 173.24 174.36 1h2o s THR 117 N -1.48 -0.47 0.01 6.45 2.01 0.96 0.16 115.64 123.29 1h2o s THR 117 Ca 0.25 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.27 1h2o s THR 117 Cb -0.10 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.40 1h2o s THR 117 CO 0.17 0.00 -0.07 -0.44 -0.69 0.00 0.00 174.62 173.59 1h2o s SER 118 N 2.23 0.77 -0.03 3.53 0.01 0.23 0.17 113.70 120.60 1h2o s SER 118 Ca -0.08 -0.24 0.03 0.00 1.31 0.00 0.00 55.95 56.97 1h2o s SER 118 Cb -0.08 -0.05 -0.00 0.00 0.21 0.00 0.00 66.02 66.10 1h2o s SER 118 CO -0.19 -0.00 -0.13 -1.00 0.41 0.00 0.00 173.24 172.32 1h2o s HIS 119 N -0.50 1.28 0.11 2.43 3.76 0.45 -0.24 115.29 122.57 1h2o s HIS 119 Ca -0.01 -0.33 0.03 0.00 -0.15 0.00 0.00 55.06 54.60 1h2o s HIS 119 Cb -0.05 -0.87 -0.04 0.00 1.11 0.00 0.00 32.58 32.73 1h2o s HIS 119 CO 0.00 -0.11 0.12 0.71 -0.85 0.00 0.00 174.74 174.61 1h2o s TYR 120 N 0.06 3.23 -0.48 1.40 2.02 0.48 0.56 117.35 124.64 1h2o s TYR 120 Ca -0.02 0.07 0.03 0.00 -0.37 0.00 0.00 57.07 56.78 1h2o s TYR 120 Cb -0.09 -1.61 0.15 0.00 -0.40 0.00 0.00 41.96 40.01 1h2o s TYR 120 CO 0.01 0.53 0.29 -1.01 -1.57 0.00 0.00 175.55 173.80 1h2o s HIS 121 N -1.53 2.09 0.77 2.71 3.76 0.51 -1.50 115.29 122.10 1h2o s HIS 121 Ca 0.31 -2.54 -0.13 0.00 -0.15 0.00 0.00 55.06 52.54 1h2o s HIS 121 Cb -0.12 -1.87 0.06 0.00 1.11 0.00 0.00 32.58 31.77 1h2o s HIS 121 CO 0.24 -0.75 1.17 0.95 -0.85 0.00 0.00 174.74 175.50 1h2o s THR 122 N 0.04 2.42 -0.42 1.30 -4.23 -1.10 -2.07 115.64 111.57 1h2o s THR 122 Ca 0.21 0.18 -0.12 0.00 -1.18 0.00 0.00 61.69 60.78 1h2o s THR 122 Cb -0.17 -2.61 0.06 0.00 1.34 0.00 0.00 72.50 71.12 1h2o s THR 122 CO -0.05 -0.13 0.29 -0.75 -0.54 0.00 0.00 174.62 173.43 1h2o s LYS 123 N -4.19 2.78 0.00 3.99 2.20 -1.10 -4.79 119.74 118.63 1h2o s LYS 123 Ca 0.71 -1.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.00 1h2o s LYS 123 Cb -0.26 -3.88 0.00 0.00 -1.51 0.00 0.00 37.83 32.18 1h2o s LYS 123 CO 0.49 -0.90 0.00 0.41 -0.36 0.00 0.00 175.35 174.99 1h2o n GLY 124 N 5.03 0.80 2.58 5.54 0.00 -1.26 -4.78 105.19 113.10 1h2o n GLY 124 Ca -0.11 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 1h2o n GLY 124 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1h2o s ASN 125 N -4.00 3.45 0.27 1.61 2.47 -1.26 -5.02 114.94 112.46 1h2o s ASN 125 Ca 0.00 -1.91 0.04 0.00 0.42 0.00 0.00 52.86 51.41 1h2o s ASN 125 Cb 0.00 -0.59 -0.02 0.00 -1.45 0.00 0.00 41.25 39.20 1h2o s ASN 125 CO 0.00 -0.36 0.26 1.33 -3.72 0.00 0.00 177.10 174.62 1h2o n VAL 126 N 4.44 0.00 -4.20 -5.21 0.24 -1.26 -5.17 118.33 107.16 1h2o n VAL 126 Ca 0.04 -1.83 -0.16 0.00 -2.04 0.00 0.00 64.34 60.35 1h2o n VAL 126 Cb 0.39 0.95 -0.13 0.00 -1.47 0.00 0.00 33.84 33.58 1h2o n VAL 126 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1h2o s GLU 127 N -2.98 0.62 1.18 7.34 0.41 -1.26 -5.02 118.70 118.98 1h2o s GLU 127 Ca 0.30 -0.52 -0.15 0.00 -0.41 0.00 0.00 54.97 54.19 1h2o s GLU 127 Cb 0.01 -0.54 0.28 0.00 -1.78 0.00 0.00 34.13 32.10 1h2o s GLU 127 CO 0.21 0.13 1.04 0.42 -0.49 0.00 0.00 175.26 176.57 1h2o s ILE 128 N -0.70 1.81 -0.20 -1.63 -1.09 -1.26 -4.99 121.20 113.14 1h2o s ILE 128 Ca -0.02 0.00 -0.12 0.00 -2.23 0.00 0.00 60.65 58.28 1h2o s ILE 128 Cb -0.06 -2.25 -0.05 0.00 -1.58 0.00 0.00 42.46 38.53 1h2o s ILE 128 CO 0.00 0.00 0.24 -0.54 -1.23 0.00 0.00 174.94 173.41 1h2o s LYS 129 N -4.84 4.18 0.21 2.79 1.02 -1.26 -4.98 119.74 116.86 1h2o s LYS 129 Ca 0.68 -0.06 -0.17 0.00 0.02 0.00 0.00 55.97 56.44 1h2o s LYS 129 Cb -0.19 -3.47 0.21 0.00 -0.52 0.00 0.00 37.83 33.86 1h2o s LYS 129 CO 0.60 0.16 1.58 0.93 -0.92 0.00 0.00 175.35 177.70 1h2o h GLU 130 N 7.02 -0.08 -0.04 1.68 5.08 -1.98 2.15 114.58 128.41 1h2o h GLU 130 Ca -0.39 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1h2o h GLU 130 Cb 1.16 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1h2o h GLU 130 CO 0.72 -0.05 0.38 1.49 -1.00 0.00 0.00 179.01 180.56 1h2o h GLU 131 N -0.08 0.00 0.00 2.33 4.81 -1.94 0.64 114.58 120.34 1h2o h GLU 131 Ca 0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1h2o h GLU 131 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1h2o h GLU 131 CO -0.78 0.00 -0.22 1.25 -0.73 0.00 0.00 179.01 178.53 1h2o h HIS 132 N 0.00 0.00 0.00 0.92 2.76 0.31 -0.38 115.15 118.76 1h2o h HIS 132 Ca 0.02 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1h2o h HIS 132 Cb 0.78 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.74 1h2o h HIS 132 CO 0.00 0.00 -0.03 -0.24 -1.30 0.00 0.00 177.93 176.36 1h2o h VAL 133 N -0.81 0.11 0.00 5.26 3.04 -0.86 -0.08 116.25 122.91 1h2o h VAL 133 Ca 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 1h2o h VAL 133 Cb 0.22 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 1h2o h VAL 133 CO 0.00 0.03 0.00 0.29 -1.01 0.00 0.00 177.57 176.88 1h2o n LYS 134 N -3.19 0.00 0.28 4.17 5.02 0.22 -4.09 118.16 120.58 1h2o n LYS 134 Ca -0.01 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.46 1h2o n LYS 134 Cb 0.23 -0.29 0.94 0.00 -0.02 0.00 0.00 35.03 35.88 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 -1.56 1.45 0.00 7.82 0.00 -1.28 0.26 119.26 125.95 1h2o h ALA 135 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1h2o h ALA 135 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1h2o h ALA 135 CO 0.00 -0.23 -0.61 0.78 0.00 0.00 0.00 179.25 179.19 1h2o h GLY 136 N 0.00 0.00 1.66 0.00 0.00 0.63 -3.05 103.07 102.30 1h2o h GLY 136 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.26 1h2o h GLY 136 CO -0.00 0.00 -0.38 0.50 0.00 0.00 0.00 176.54 176.66 1h2o h LYS 137 N 0.00 0.38 0.00 4.80 1.57 -0.56 -2.55 116.57 120.22 1h2o h LYS 137 Ca -0.01 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.53 1h2o h LYS 137 Cb 1.24 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1h2o h LYS 137 CO 0.08 0.71 -0.33 1.49 -0.57 0.00 0.00 179.45 180.83 1h2o h GLU 138 N 0.32 0.00 0.00 3.15 4.81 -1.50 -2.65 114.58 118.71 1h2o h GLU 138 Ca 0.03 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.10 1h2o h GLU 138 Cb 0.82 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 1h2o h GLU 138 CO 0.07 0.33 -0.76 0.87 -0.73 0.00 0.00 179.01 178.79 1h2o h LYS 139 N 0.00 0.00 0.14 1.92 1.57 -1.38 -3.02 116.57 115.81 1h2o h LYS 139 Ca -0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1h2o h LYS 139 Cb 1.05 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.37 1h2o h LYS 139 CO 0.04 0.76 -1.40 0.00 -0.57 0.00 0.00 179.45 178.27 1h2o h ALA 140 N 1.24 0.13 -0.25 3.86 0.00 -1.39 -3.29 119.26 119.56 1h2o h ALA 140 Ca -0.01 -0.98 -0.03 0.00 0.00 0.00 0.00 54.91 53.89 1h2o h ALA 140 Cb 1.53 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1h2o h ALA 140 CO 0.10 1.00 0.04 1.03 0.00 0.00 0.00 179.25 181.42 1h2o h SER 141 N 0.08 0.40 -0.56 0.00 0.87 -1.54 -2.77 113.55 110.03 1h2o h SER 141 Ca -0.20 -0.26 0.11 0.00 -1.23 0.00 0.00 61.79 60.20 1h2o h SER 141 Cb 2.02 -0.11 -0.09 0.00 -0.44 0.00 0.00 62.40 63.79 1h2o h SER 141 CO 0.20 0.56 0.07 0.78 -0.53 0.00 0.00 176.83 177.91 1h2o h ASN 142 N 0.22 -0.10 -0.16 6.23 2.35 -1.65 -0.49 115.58 121.99 1h2o h ASN 142 Ca 0.08 0.12 0.03 0.00 -0.55 0.00 0.00 56.30 55.97 1h2o h ASN 142 Cb 0.33 0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 1h2o h ASN 142 CO 0.01 -0.03 -0.04 0.25 -1.65 0.00 0.00 177.43 175.96 1h2o h LEU 143 N 0.19 -0.16 -1.08 1.61 5.85 -1.59 0.23 115.31 120.37 1h2o h LEU 143 Ca 0.29 0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.16 1h2o h LEU 143 Cb 0.43 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 1h2o h LEU 143 CO -0.41 -0.06 0.62 -0.26 -0.34 0.00 0.00 178.44 177.99 1h2o h PHE 144 N -0.00 1.09 0.00 1.25 0.04 -0.98 0.33 116.94 118.67 1h2o h PHE 144 Ca 0.08 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.88 1h2o h PHE 144 Cb 0.12 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 37.92 1h2o h PHE 144 CO -0.19 0.50 0.00 1.63 -0.60 0.00 0.00 178.31 179.64 1h2o n LYS 145 N -4.55 0.05 0.09 1.51 5.02 -0.30 -2.60 118.16 117.38 1h2o n LYS 145 Ca 0.17 0.15 -0.20 0.00 -2.02 0.00 0.00 58.31 56.40 1h2o n LYS 145 Cb 0.29 -1.58 -0.15 0.00 -0.02 0.00 0.00 35.03 33.58 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 0.56 -0.07 -0.35 3.38 0.16 -3.16 115.31 115.84 1h2o h LEU 146 Ca 0.00 -0.73 -0.02 0.00 0.09 0.00 0.00 57.88 57.22 1h2o h LEU 146 Cb 0.44 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1h2o h LEU 146 CO 0.00 1.60 -0.05 0.40 0.09 0.00 0.00 178.44 180.49 1h2o h ILE 147 N 0.10 1.35 -1.06 1.22 2.04 -1.32 -0.07 117.51 119.78 1h2o h ILE 147 Ca -0.27 -1.13 0.29 0.00 1.00 0.00 0.00 64.86 64.75 1h2o h ILE 147 Cb 2.07 1.96 -0.12 0.00 -0.74 0.00 0.00 36.82 40.00 1h2o h ILE 147 CO 0.19 0.31 0.65 -0.33 0.00 0.00 0.00 178.15 178.98 1h2o h GLU 148 N -0.26 0.39 0.00 2.37 5.08 -1.62 1.44 114.58 121.98 1h2o h GLU 148 Ca 0.01 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 1h2o h GLU 148 Cb 0.52 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1h2o h GLU 148 CO 0.01 0.26 -0.54 1.15 -1.00 0.00 0.00 179.01 178.89 1h2o h THR 149 N 0.40 0.93 -0.12 1.13 2.02 -1.44 -2.69 112.91 113.13 1h2o h THR 149 Ca 0.66 -2.30 0.04 0.00 0.77 0.00 0.00 66.41 65.58 1h2o h THR 149 Cb 1.58 2.45 -0.04 0.00 -1.74 0.00 0.00 68.15 70.40 1h2o h THR 149 CO -0.42 0.53 -0.15 0.22 0.37 0.00 0.00 175.52 176.07 1h2o h TYR 150 N 0.00 -0.37 0.00 3.16 3.20 0.39 -1.53 116.97 121.83 1h2o h TYR 150 Ca -0.01 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.70 1h2o h TYR 150 Cb 1.41 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.84 1h2o h TYR 150 CO 0.00 -0.21 -0.89 -0.07 -1.64 0.00 0.00 178.16 175.34 1h2o h LEU 151 N -0.18 0.00 -0.72 2.82 3.38 -1.55 0.25 115.31 119.31 1h2o h LEU 151 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1h2o h LEU 151 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1h2o h LEU 151 CO -0.23 0.89 0.00 1.17 0.09 0.00 0.00 178.44 180.36 1h2o n LYS 152 N -3.33 0.10 0.00 1.13 4.81 -0.91 -2.78 118.16 117.19 1h2o n LYS 152 Ca 0.00 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 1h2o n LYS 152 Cb 0.89 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 34.17 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 -0.80 0.00 3.23 3.14 0.00 -0.62 -4.92 105.19 105.21 1h2o n GLY 153 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.67 3.53 -2.00 1.61 3.76 0.88 -4.89 115.29 116.52 1h2o s HIS 154 Ca 0.00 -2.12 0.13 0.00 -0.15 0.00 0.00 55.06 52.91 1h2o s HIS 154 Cb 0.00 -3.55 0.75 0.00 1.11 0.00 0.00 32.58 30.89 1h2o s HIS 154 CO 0.00 -0.95 1.25 -0.35 -0.85 0.00 0.00 174.74 173.84 1h2o n PRO 155 N 4.18 0.67 0.00 8.40 -0.04 -1.26 -2.52 135.00 144.43 1h2o n PRO 155 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1h2o n PRO 155 Cb 0.42 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1h2o n PRO 155 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1h2o n ASP 156 N -0.79 0.90 -4.57 3.54 8.00 -1.26 -4.74 116.55 117.62 1h2o n ASP 156 Ca 0.09 -0.95 -0.40 0.00 0.71 0.00 0.00 54.79 54.25 1h2o n ASP 156 Cb 0.04 0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.27 1h2o n ASP 156 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h2o n ALA 157 N -0.12 1.33 -2.16 2.24 0.00 -1.05 -3.09 120.51 117.66 1h2o n ALA 157 Ca 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 53.44 52.86 1h2o n ALA 157 Cb 0.02 -3.05 -0.00 0.00 0.00 0.00 0.00 19.45 16.41 1h2o n ALA 157 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1h2o n TYR 158 N 13.62 -1.53 -0.91 0.00 0.18 -1.26 -4.99 117.16 122.27 1h2o n TYR 158 Ca 0.33 0.03 0.00 0.00 1.88 0.00 0.00 57.90 60.14 1h2o n TYR 158 Cb 0.49 -0.82 0.00 0.00 -0.38 0.00 0.00 39.34 38.63 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07