#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 1.35 0.25 1.61 1.01 -1.26 -2.46 120.40 120.90 1h2o s VAL 2 Ca 0.00 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.31 1h2o s VAL 2 Cb 0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 1h2o s VAL 2 CO 0.00 0.38 0.32 -0.36 0.00 0.00 0.00 175.10 175.44 1h2o s PHE 3 N -0.40 3.30 -0.26 5.22 0.40 -0.81 -4.88 117.98 120.56 1h2o s PHE 3 Ca 0.06 -0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.34 1h2o s PHE 3 Cb -0.07 -1.56 0.07 0.00 0.51 0.00 0.00 43.02 41.97 1h2o s PHE 3 CO -0.01 0.42 -0.04 0.99 0.70 0.00 0.00 175.22 177.28 1h2o s THR 4 N -2.05 1.69 -0.13 0.64 2.01 -1.26 -2.22 115.64 114.31 1h2o s THR 4 Ca 0.35 -1.43 0.03 0.00 0.31 0.00 0.00 61.69 60.95 1h2o s THR 4 Cb -0.09 -1.97 0.01 0.00 0.01 0.00 0.00 72.50 70.46 1h2o s THR 4 CO 0.28 -0.18 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.50 1h2o s TYR 5 N 1.30 2.58 0.06 4.92 2.02 -0.39 -4.99 117.35 122.85 1h2o s TYR 5 Ca -0.04 -1.24 -0.01 0.00 -0.37 0.00 0.00 57.07 55.41 1h2o s TYR 5 Cb -0.19 -1.76 -0.04 0.00 -0.40 0.00 0.00 41.96 39.57 1h2o s TYR 5 CO -0.07 -0.56 -0.04 -1.83 -1.57 0.00 0.00 175.55 171.48 1h2o s GLU 6 N 0.72 0.63 0.02 -0.62 -1.05 -1.26 0.74 118.70 117.88 1h2o s GLU 6 Ca -0.10 -1.22 0.01 0.00 -0.15 0.00 0.00 54.97 53.51 1h2o s GLU 6 Cb -0.16 0.14 -0.02 0.00 -0.44 0.00 0.00 34.13 33.65 1h2o s GLU 6 CO 0.01 -0.09 -0.04 0.45 0.95 0.00 0.00 175.26 176.53 1h2o s SER 7 N -2.89 0.42 -0.08 0.83 0.15 0.14 -4.93 113.70 107.34 1h2o s SER 7 Ca 0.07 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1h2o s SER 7 Cb 0.07 0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.47 1h2o s SER 7 CO -0.09 -0.24 -0.06 -1.61 1.20 0.00 0.00 173.24 172.45 1h2o s GLU 8 N -1.34 1.19 0.15 5.44 2.02 -1.26 0.45 118.70 125.34 1h2o s GLU 8 Ca -0.12 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 54.71 1h2o s GLU 8 Cb -0.09 -1.27 -0.00 0.00 0.10 0.00 0.00 34.13 32.87 1h2o s GLU 8 CO -0.00 -0.20 0.18 1.97 0.02 0.00 0.00 175.26 177.23 1h2o n PHE 9 N 4.66 -0.70 -4.27 1.61 -1.74 -0.56 -4.98 117.46 111.48 1h2o n PHE 9 Ca -0.15 -1.05 -0.17 0.00 -0.56 0.00 0.00 57.45 55.52 1h2o n PHE 9 Cb 0.50 0.20 -0.09 0.00 1.52 0.00 0.00 39.48 41.61 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 -2.58 0.05 -0.24 1.97 -4.23 -1.26 0.15 115.64 109.49 1h2o s THR 10 Ca 0.14 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.43 1h2o s THR 10 Cb -0.00 -2.50 0.06 0.00 1.34 0.00 0.00 72.50 71.41 1h2o s THR 10 CO 0.10 0.00 0.65 -0.94 -0.54 0.00 0.00 174.62 173.89 1h2o s SER 11 N -3.31 -0.69 0.45 3.99 1.04 0.12 -4.86 113.70 110.44 1h2o s SER 11 Ca 0.39 1.31 0.17 0.00 0.48 0.00 0.00 55.95 58.31 1h2o s SER 11 Cb 0.04 1.32 1.05 0.00 0.10 0.00 0.00 66.02 68.54 1h2o s SER 11 CO 0.21 -0.23 1.98 -0.33 0.98 0.00 0.00 173.24 175.85 1h2o h GLU 12 N 5.23 0.00 -7.08 4.02 5.08 -1.92 1.16 114.58 121.06 1h2o h GLU 12 Ca -0.29 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.57 1h2o h GLU 12 Cb 1.17 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.50 1h2o h GLU 12 CO 0.10 0.21 0.44 0.42 -1.00 0.00 0.00 179.01 179.18 1h2o s ILE 13 N -4.44 3.07 0.50 3.13 -1.09 -1.26 -4.50 121.20 116.61 1h2o s ILE 13 Ca -0.03 0.67 -0.22 0.00 -2.23 0.00 0.00 60.65 58.83 1h2o s ILE 13 Cb 0.15 -3.27 -0.06 0.00 -1.58 0.00 0.00 42.46 37.69 1h2o s ILE 13 CO 0.68 -0.14 1.25 -2.16 -1.23 0.00 0.00 174.94 173.34 1h2o s PRO 14 N -3.27 3.46 0.26 2.79 0.04 -1.26 -3.86 135.00 133.16 1h2o s PRO 14 Ca 0.73 1.98 0.07 0.00 0.04 0.00 0.00 61.00 63.82 1h2o s PRO 14 Cb -0.25 -2.33 0.33 0.00 0.04 0.00 0.00 34.50 32.29 1h2o s PRO 14 CO 0.28 -0.85 1.61 -1.00 0.04 0.00 0.00 177.00 177.08 1h2o h PRO 15 N 1.76 0.15 0.00 0.56 0.13 -1.92 -2.59 132.00 130.09 1h2o h PRO 15 Ca -0.50 -0.10 -0.01 0.00 -0.87 0.00 0.00 66.00 64.52 1h2o h PRO 15 Cb 1.27 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1h2o h PRO 15 CO 0.59 0.68 -0.06 -1.00 -0.23 0.00 0.00 178.00 177.98 1h2o h PRO 16 N 0.12 0.00 0.10 1.56 0.13 -1.96 0.62 132.00 132.56 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 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1h2o h PRO 16 CO 0.08 0.06 -1.26 0.00 -0.23 0.00 0.00 178.00 176.66 1h2o h ARG 17 N 0.00 0.20 -0.00 0.86 3.08 -1.87 -2.77 114.38 113.88 1h2o h ARG 17 Ca -0.00 -0.34 -0.12 0.00 0.07 0.00 0.00 59.98 59.58 1h2o h ARG 17 Cb 0.52 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1h2o h ARG 17 CO 0.01 1.17 -0.57 1.25 -1.07 0.00 0.00 179.97 180.76 1h2o h LEU 18 N -0.43 0.01 0.55 3.04 6.46 -1.32 -1.85 115.31 121.77 1h2o h LEU 18 Ca -0.28 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.45 1h2o h LEU 18 Cb 1.65 -0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.58 1h2o h LEU 18 CO 0.03 0.57 -0.26 0.15 -0.62 0.00 0.00 178.44 178.31 1h2o h PHE 19 N 0.00 -0.69 -0.85 1.25 3.57 0.15 0.46 116.94 120.84 1h2o h PHE 19 Ca -0.01 -0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.67 1h2o h PHE 19 Cb 1.00 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.91 1h2o h PHE 19 CO 0.00 -0.43 0.56 0.87 -2.23 0.00 0.00 178.31 177.09 1h2o h LYS 20 N -1.02 0.37 0.15 1.11 1.57 -1.52 0.15 116.57 117.37 1h2o h LYS 20 Ca -0.08 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1h2o h LYS 20 Cb 0.57 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1h2o h LYS 20 CO 0.12 0.24 -0.07 0.00 -0.57 0.00 0.00 179.45 179.18 1h2o h ALA 21 N 1.62 -0.20 0.32 3.86 0.00 -1.17 0.55 119.26 124.24 1h2o h ALA 21 Ca 0.43 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1h2o h ALA 21 Cb 1.09 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1h2o h ALA 21 CO -0.14 -0.31 -0.16 0.35 0.00 0.00 0.00 179.25 178.99 1h2o h PHE 22 N -0.81 -0.41 0.00 0.00 3.57 0.67 0.46 116.94 120.42 1h2o h PHE 22 Ca -0.02 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1h2o h PHE 22 Cb 0.53 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.41 1h2o h PHE 22 CO 0.09 -0.25 -0.35 0.28 -2.23 0.00 0.00 178.31 175.85 1h2o n VAL 23 N -5.28 0.87 0.42 1.41 0.31 -0.03 -1.98 118.33 114.06 1h2o n VAL 23 Ca -0.10 0.32 0.04 0.00 -0.01 0.00 0.00 64.34 64.59 1h2o n VAL 23 Cb 0.19 -2.05 0.21 0.00 -0.91 0.00 0.00 33.84 31.29 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 -3.70 0.00 0.00 7.52 4.32 -0.38 -2.63 117.00 122.13 1h2o n LEU 24 Ca -0.05 0.18 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 1h2o n LEU 24 Cb 0.18 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1h2o n LEU 24 CO 0.07 -0.13 0.23 -0.67 -1.22 0.00 0.00 177.39 175.67 1h2o n ASP 25 N -1.18 0.00 0.00 -1.43 2.03 0.18 -4.84 116.55 111.32 1h2o n ASP 25 Ca 0.05 -1.00 0.23 0.00 0.52 0.00 0.00 54.79 54.59 1h2o n ASP 25 Cb 0.05 0.00 0.72 0.00 -0.72 0.00 0.00 41.12 41.17 1h2o n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h2o h ALA 26 N 0.00 2.36 0.00 -1.67 0.00 -0.28 0.99 119.26 120.66 1h2o h ALA 26 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1h2o h ALA 26 Cb 0.98 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1h2o h ALA 26 CO 0.00 -0.84 0.00 -0.25 0.00 0.00 0.00 179.25 178.16 1h2o n ASP 27 N -3.82 0.64 -0.02 0.00 8.00 -1.26 -3.62 116.55 116.46 1h2o n ASP 27 Ca 0.11 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.20 1h2o n ASP 27 Cb 0.77 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 1h2o n ASP 27 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1h2o n ASN 28 N -2.13 0.51 -0.10 -2.24 3.02 0.27 -4.64 115.26 109.95 1h2o n ASN 28 Ca 0.05 -1.32 -0.15 0.00 -0.03 0.00 0.00 54.58 53.13 1h2o n ASN 28 Cb 0.35 -0.02 -0.09 0.00 -0.61 0.00 0.00 39.78 39.41 1h2o n ASN 28 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1h2o n LEU 29 N -0.14 2.84 0.10 3.41 -0.00 0.26 -4.30 117.00 119.18 1h2o n LEU 29 Ca 0.00 -0.07 -0.23 0.00 -0.00 0.00 0.00 56.01 55.71 1h2o n LEU 29 Cb 0.45 -0.71 -0.15 0.00 -0.00 0.00 0.00 43.42 43.01 1h2o n LEU 29 CO 0.00 0.81 -0.21 0.58 -0.00 0.00 0.00 177.39 178.57 1h2o h VAL 30 N -0.08 1.29 0.00 1.96 2.07 -1.78 -2.89 116.25 116.82 1h2o h VAL 30 Ca -0.47 -2.61 0.00 0.00 0.82 0.00 0.00 66.70 64.44 1h2o h VAL 30 Cb 1.69 3.04 0.00 0.00 -1.52 0.00 0.00 31.29 34.49 1h2o h VAL 30 CO -0.10 0.78 0.00 -0.81 0.02 0.00 0.00 177.57 177.47 1h2o n PRO 31 N -3.83 0.86 0.00 1.57 -0.04 -1.26 -2.63 135.00 129.66 1h2o n PRO 31 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1h2o n PRO 31 Cb 1.01 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 33.42 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 -0.43 2.84 0.04 0.54 5.02 -1.23 -4.63 118.16 120.31 1h2o n LYS 32 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 1h2o n LYS 32 Cb 0.03 -0.92 -0.14 0.00 -0.02 0.00 0.00 35.03 33.97 1h2o n LYS 32 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1h2o h ILE 33 N 0.00 1.53 -2.68 -0.18 2.04 -1.49 -3.43 117.51 113.30 1h2o h ILE 33 Ca 0.00 -2.52 -0.50 0.00 1.00 0.00 0.00 64.86 62.83 1h2o h ILE 33 Cb 0.84 3.21 -0.39 0.00 -0.74 0.00 0.00 36.82 39.74 1h2o h ILE 33 CO 0.00 0.71 -0.76 0.00 0.00 0.00 0.00 178.15 178.09 1h2o s ALA 34 N -2.41 0.48 -1.72 1.87 0.00 -1.08 -4.97 121.76 113.94 1h2o s ALA 34 Ca -0.14 -1.04 0.17 0.00 0.00 0.00 0.00 51.96 50.95 1h2o s ALA 34 Cb 0.01 -1.47 0.96 0.00 0.00 0.00 0.00 23.12 22.61 1h2o s ALA 34 CO 0.82 -1.70 1.48 -0.35 0.00 0.00 0.00 175.76 176.01 1h2o n PRO 35 N 5.15 0.40 0.08 0.00 -0.04 -1.26 -2.37 135.00 136.96 1h2o n PRO 35 Ca -0.04 0.06 0.05 0.00 -0.04 0.00 0.00 63.50 63.54 1h2o n PRO 35 Cb 0.42 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 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 -3.41 115.11 113.38 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 0.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.64 1h2o h GLN 36 CO 0.00 0.17 0.00 0.00 0.09 0.00 0.00 178.83 179.09 1h2o n ALA 37 N -2.28 0.00 -2.69 0.06 0.00 -1.00 -3.69 120.51 110.91 1h2o n ALA 37 Ca -0.04 -0.07 -0.37 0.00 0.00 0.00 0.00 53.44 52.96 1h2o n ALA 37 Cb 0.70 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.96 5.15 0.19 0.00 1.09 -1.24 -2.79 121.20 122.64 1h2o s ILE 38 Ca 0.00 0.11 0.04 0.00 -1.10 0.00 0.00 60.65 59.70 1h2o s ILE 38 Cb 0.00 -3.42 -0.12 0.00 -1.06 0.00 0.00 42.46 37.86 1h2o s ILE 38 CO 0.00 0.30 1.43 0.50 -0.10 0.00 0.00 174.94 177.08 1h2o h LYS 39 N 8.00 0.16 -1.19 2.79 3.64 0.31 -3.41 116.57 126.86 1h2o h LYS 39 Ca -0.36 -0.15 0.19 0.00 -1.27 0.00 0.00 60.65 59.05 1h2o h LYS 39 Cb 1.18 0.04 -0.27 0.00 -0.41 0.00 0.00 32.23 32.77 1h2o h LYS 39 CO 0.59 0.88 0.84 -1.58 -2.27 0.00 0.00 179.45 177.91 1h2o s HIS 40 N -3.31 -0.13 -0.18 1.91 5.65 -1.24 -4.95 115.29 113.04 1h2o s HIS 40 Ca -0.02 0.24 0.01 0.00 0.25 0.00 0.00 55.06 55.53 1h2o s HIS 40 Cb 0.11 0.48 0.03 0.00 -1.18 0.00 0.00 32.58 32.01 1h2o s HIS 40 CO 0.81 -0.11 -0.16 -1.12 -0.65 0.00 0.00 174.74 173.52 1h2o s SER 41 N -0.86 3.11 -0.21 9.88 0.01 -1.26 -0.84 113.70 123.51 1h2o s SER 41 Ca 0.06 -0.68 -0.01 0.00 1.31 0.00 0.00 55.95 56.63 1h2o s SER 41 Cb -0.01 -1.34 0.06 0.00 0.21 0.00 0.00 66.02 64.94 1h2o s SER 41 CO -0.07 -0.06 -0.02 -0.70 0.41 0.00 0.00 173.24 172.80 1h2o s GLU 42 N 1.36 1.25 0.46 12.44 2.12 -1.21 -4.89 118.70 130.23 1h2o s GLU 42 Ca 0.03 -0.75 -0.23 0.00 0.36 0.00 0.00 54.97 54.38 1h2o s GLU 42 Cb -0.14 -2.37 -0.10 0.00 0.26 0.00 0.00 34.13 31.78 1h2o s GLU 42 CO -0.11 -0.60 0.99 -0.89 -0.54 0.00 0.00 175.26 174.11 1h2o n ILE 43 N 4.82 2.62 -0.00 -3.70 5.41 -1.26 -2.59 119.36 124.66 1h2o n ILE 43 Ca -0.11 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.14 1h2o n ILE 43 Cb 0.45 -1.15 -0.00 0.00 -0.71 0.00 0.00 39.64 38.24 1h2o n ILE 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1h2o n LEU 44 N 0.31 0.00 -4.36 1.39 7.94 0.63 -4.84 117.00 118.07 1h2o n LEU 44 Ca 0.10 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.81 1h2o n LEU 44 Cb 0.41 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.26 1h2o n LEU 44 CO 0.55 0.00 -0.38 0.26 -1.11 0.00 0.00 177.39 176.71 1h2o s TRP 45 N -2.01 1.71 0.00 1.96 0.52 -1.00 -4.81 118.94 115.30 1h2o s TRP 45 Ca -0.00 -0.72 0.00 0.00 0.02 0.00 0.00 56.10 55.40 1h2o s TRP 45 Cb 0.00 -0.92 0.00 0.00 -1.15 0.00 0.00 33.47 31.40 1h2o s TRP 45 CO 0.01 0.21 0.00 0.41 0.02 0.00 0.00 176.95 177.60 1h2o n GLY 46 N -0.44 1.42 0.87 0.98 0.00 -1.26 -3.22 105.19 103.54 1h2o n GLY 46 Ca -0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.68 0.04 0.00 1.61 2.03 -1.26 -4.94 116.55 112.34 1h2o n ASP 47 Ca 0.00 -1.76 0.00 0.00 0.52 0.00 0.00 54.79 53.55 1h2o n ASP 47 Cb 0.00 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 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 0.13 1.59 0.00 0.27 0.00 -1.26 -5.10 105.19 100.81 1h2o n GLY 48 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.16 -0.79 3.70 -0.02 0.00 -1.26 -4.91 105.19 101.75 1h2o n GLY 49 Ca 0.00 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.57 4.36 0.00 1.61 0.04 -1.26 -2.59 135.00 134.60 1h2o s PRO 50 Ca 0.00 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1h2o s PRO 50 Cb 0.00 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1h2o s PRO 50 CO 0.00 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.06 1h2o n GLY 51 N 3.39 1.06 3.78 0.56 0.00 0.40 -4.95 105.19 109.43 1h2o n GLY 51 Ca 0.11 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 -2.18 3.34 -0.09 2.61 2.01 -1.07 -4.53 115.64 115.73 1h2o s THR 52 Ca 0.00 0.44 -0.01 0.00 0.31 0.00 0.00 61.69 62.42 1h2o s THR 52 Cb 0.00 -3.07 0.03 0.00 0.01 0.00 0.00 72.50 69.47 1h2o s THR 52 CO 0.00 -0.57 -0.02 -0.63 -0.69 0.00 0.00 174.62 172.71 1h2o s ILE 53 N -3.02 0.56 -0.18 1.82 1.01 -1.20 0.15 121.20 120.34 1h2o s ILE 53 Ca 0.60 -0.03 -0.08 0.00 0.00 0.00 0.00 60.65 61.15 1h2o s ILE 53 Cb -0.16 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 1h2o s ILE 53 CO 0.55 0.26 0.08 -0.54 0.00 0.00 0.00 174.94 175.30 1h2o s LYS 54 N 1.89 3.99 -0.73 2.79 1.02 0.26 0.23 119.74 129.19 1h2o s LYS 54 Ca 0.05 -0.30 -0.12 0.00 0.02 0.00 0.00 55.97 55.61 1h2o s LYS 54 Cb -0.13 -3.26 0.19 0.00 -0.52 0.00 0.00 37.83 34.12 1h2o s LYS 54 CO -0.06 0.32 0.65 0.21 -0.92 0.00 0.00 175.35 175.55 1h2o s LYS 55 N 0.26 3.28 0.24 1.68 2.20 -1.07 0.30 119.74 126.63 1h2o s LYS 55 Ca 0.05 -2.30 -0.29 0.00 -0.36 0.00 0.00 55.97 53.07 1h2o s LYS 55 Cb -0.12 -4.27 -0.09 0.00 -1.51 0.00 0.00 37.83 31.84 1h2o s LYS 55 CO -0.00 -1.27 0.92 0.42 -0.36 0.00 0.00 175.35 175.06 1h2o s ILE 56 N 0.44 4.12 0.11 5.43 1.01 -0.45 -3.32 121.20 128.55 1h2o s ILE 56 Ca 0.14 2.01 0.06 0.00 0.00 0.00 0.00 60.65 62.86 1h2o s ILE 56 Cb -0.16 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 1h2o s ILE 56 CO -0.06 0.45 -0.02 0.42 0.00 0.00 0.00 174.94 175.73 1h2o s THR 57 N -1.24 3.81 0.09 2.92 -4.23 -0.02 0.69 115.64 117.66 1h2o s THR 57 Ca 0.42 -1.14 0.07 0.00 -1.18 0.00 0.00 61.69 59.85 1h2o s THR 57 Cb -0.25 -2.83 -0.04 0.00 1.34 0.00 0.00 72.50 70.73 1h2o s THR 57 CO 0.30 0.07 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.97 1h2o s PHE 58 N -1.37 2.69 -2.10 3.99 0.08 0.77 0.25 117.98 122.29 1h2o s PHE 58 Ca 0.25 -0.18 0.21 0.00 0.12 0.00 0.00 56.93 57.33 1h2o s PHE 58 Cb -0.11 -1.43 0.47 0.00 -0.57 0.00 0.00 43.02 41.38 1h2o s PHE 58 CO 0.17 0.40 1.41 0.41 -0.10 0.00 0.00 175.22 177.51 1h2o n GLY 59 N 0.86 2.00 3.44 4.36 0.00 -1.12 -4.32 105.19 110.42 1h2o n GLY 59 Ca -0.14 -0.70 -0.26 0.00 0.00 0.00 0.00 46.02 44.91 1h2o n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h2o s GLU 60 N -1.25 1.56 0.81 1.61 2.02 -1.25 -5.01 118.70 117.19 1h2o s GLU 60 Ca 0.39 -1.57 0.00 0.00 0.02 0.00 0.00 54.97 53.81 1h2o s GLU 60 Cb 0.22 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.61 1h2o s GLU 60 CO 0.30 0.39 0.00 0.41 0.02 0.00 0.00 175.26 176.37 1h2o n GLY 61 N 0.09 -0.70 0.93 -1.39 0.00 -1.26 -4.74 105.19 98.12 1h2o n GLY 61 Ca -0.11 -1.67 -0.08 0.00 0.00 0.00 0.00 46.02 44.16 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 0.20 -2.29 0.15 1.61 3.41 -1.26 -4.86 113.62 110.58 1h2o n SER 62 Ca 0.00 -0.22 0.01 0.00 -0.26 0.00 0.00 58.87 58.41 1h2o n SER 62 Cb 0.00 -0.27 0.20 0.00 -0.26 0.00 0.00 64.21 63.88 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 -4.67 4.33 4.20 -1.97 -3.40 115.11 113.60 1h2o h GLN 63 Ca -0.10 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 57.95 1h2o h GLN 63 Cb 0.33 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 27.71 1h2o h GLN 63 CO 0.06 0.54 -0.73 0.71 -0.67 0.00 0.00 178.83 178.74 1h2o s TYR 64 N -3.47 3.60 -0.45 2.96 2.02 -1.26 -5.03 117.35 115.72 1h2o s TYR 64 Ca -0.00 -2.85 0.02 0.00 -0.37 0.00 0.00 57.07 53.88 1h2o s TYR 64 Cb 0.11 -2.72 0.14 0.00 -0.40 0.00 0.00 41.96 39.09 1h2o s TYR 64 CO 0.73 -0.93 0.26 0.20 -1.57 0.00 0.00 175.55 174.24 1h2o s GLY 65 N 0.96 1.68 0.22 0.71 0.00 -1.26 -4.99 107.32 104.64 1h2o s GLY 65 Ca 0.08 -2.62 0.02 0.00 0.00 0.00 0.00 44.72 42.19 1h2o s GLY 65 CO -0.08 1.58 0.03 -2.52 0.00 0.00 0.00 173.10 172.11 1h2o s TYR 66 N 0.26 1.41 0.34 1.90 -0.85 -1.26 0.27 117.35 119.43 1h2o s TYR 66 Ca 0.19 -1.05 0.04 0.00 -0.52 0.00 0.00 57.07 55.73 1h2o s TYR 66 Cb -0.21 -0.82 -0.03 0.00 0.38 0.00 0.00 41.96 41.27 1h2o s TYR 66 CO -0.02 -0.21 0.16 0.14 -1.52 0.00 0.00 175.55 174.09 1h2o s VAL 67 N -3.63 0.43 -0.26 -3.49 -7.23 0.22 -4.07 120.40 102.37 1h2o s VAL 67 Ca 0.30 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.44 1h2o s VAL 67 Cb 0.07 -2.48 0.08 0.00 0.56 0.00 0.00 36.38 34.61 1h2o s VAL 67 CO 0.09 0.00 0.09 -0.54 -0.31 0.00 0.00 175.10 174.42 1h2o s LYS 68 N -3.75 0.51 -0.15 4.82 1.02 -0.30 -1.34 119.74 120.54 1h2o s LYS 68 Ca 0.32 -0.65 -0.16 0.00 0.02 0.00 0.00 55.97 55.51 1h2o s LYS 68 Cb 0.04 -1.80 -0.04 0.00 -0.52 0.00 0.00 37.83 35.51 1h2o s LYS 68 CO 0.17 -0.86 0.38 -1.01 -0.92 0.00 0.00 175.35 173.11 1h2o s HIS 69 N 1.86 3.46 -0.40 3.18 3.76 0.15 -1.80 115.29 125.50 1h2o s HIS 69 Ca 0.06 0.71 -0.16 0.00 -0.15 0.00 0.00 55.06 55.51 1h2o s HIS 69 Cb -0.17 -2.46 0.01 0.00 1.11 0.00 0.00 32.58 31.08 1h2o s HIS 69 CO -0.22 0.17 0.40 0.21 -0.85 0.00 0.00 174.74 174.45 1h2o s LYS 70 N 0.68 3.22 0.01 1.40 2.20 0.51 0.89 119.74 128.65 1h2o s LYS 70 Ca 0.21 -0.69 -0.35 0.00 -0.36 0.00 0.00 55.97 54.77 1h2o s LYS 70 Cb -0.14 -3.92 -0.14 0.00 -1.51 0.00 0.00 37.83 32.12 1h2o s LYS 70 CO 0.07 -0.75 1.65 -0.89 -0.36 0.00 0.00 175.35 175.07 1h2o n ILE 71 N 5.35 0.22 -0.14 5.43 2.08 0.39 0.21 119.36 132.91 1h2o n ILE 71 Ca -0.08 -0.04 -0.28 0.00 0.56 0.00 0.00 62.75 62.91 1h2o n ILE 71 Cb 0.48 -1.46 -0.10 0.00 -0.75 0.00 0.00 39.64 37.80 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 4.51 1.96 0.00 4.38 8.00 -0.49 0.15 116.55 135.07 1h2o n ASP 72 Ca 0.20 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.98 1h2o n ASP 72 Cb 0.25 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 1h2o n ASP 72 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1h2o n SER 73 N -4.12 0.00 -4.03 -2.24 7.64 -0.56 -4.57 113.62 105.74 1h2o n SER 73 Ca -0.52 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.26 1h2o n SER 73 Cb 0.89 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 64.01 1h2o n SER 73 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1h2o s ILE 74 N -2.00 0.07 -0.56 0.44 2.07 -1.26 0.06 121.20 120.02 1h2o s ILE 74 Ca 0.00 -1.57 0.05 0.00 -1.41 0.00 0.00 60.65 57.72 1h2o s ILE 74 Cb 0.00 -1.97 0.19 0.00 0.13 0.00 0.00 42.46 40.82 1h2o s ILE 74 CO 0.00 -0.30 0.50 0.47 -1.91 0.00 0.00 174.94 173.70 1h2o n ASP 75 N -0.20 1.68 0.22 4.50 8.00 0.54 -4.91 116.55 126.39 1h2o n ASP 75 Ca -0.06 -2.92 0.12 0.00 0.71 0.00 0.00 54.79 52.64 1h2o n ASP 75 Cb 0.63 -0.66 0.63 0.00 -0.02 0.00 0.00 41.12 41.70 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 5.05 0.00 0.01 -1.24 1.57 -1.95 2.51 116.57 122.52 1h2o h LYS 76 Ca 0.18 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.65 1h2o h LYS 76 Cb 0.80 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.06 1h2o h LYS 76 CO 0.60 0.00 -1.91 0.39 -0.57 0.00 0.00 179.45 177.96 1h2o n GLU 77 N -2.43 0.65 0.00 3.15 1.02 -1.26 -4.15 120.64 117.63 1h2o n GLU 77 Ca -0.02 0.22 0.08 0.00 -0.02 0.00 0.00 57.16 57.42 1h2o n GLU 77 Cb 0.23 -1.72 0.07 0.00 -0.02 0.00 0.00 31.44 29.99 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 -3.00 2.32 -3.15 1.62 3.02 0.45 -4.99 115.26 111.53 1h2o n ASN 78 Ca -0.22 -1.66 -0.15 0.00 -0.03 0.00 0.00 54.58 52.52 1h2o n ASN 78 Cb 1.08 0.01 0.08 0.00 -0.61 0.00 0.00 39.78 40.34 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 0.88 -2.04 -4.19 3.10 4.01 0.82 -4.34 117.16 115.40 1h2o n TYR 79 Ca 0.09 0.82 -0.18 0.00 -0.16 0.00 0.00 57.90 58.48 1h2o n TYR 79 Cb 0.40 -4.54 -0.12 0.00 -0.31 0.00 0.00 39.34 34.77 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 -3.97 1.75 -0.14 7.72 0.01 -0.95 0.11 113.70 118.22 1h2o s SER 80 Ca 0.12 -0.70 -0.09 0.00 1.31 0.00 0.00 55.95 56.59 1h2o s SER 80 Cb -0.02 -0.05 0.05 0.00 0.21 0.00 0.00 66.02 66.21 1h2o s SER 80 CO 0.66 -0.12 0.34 -0.47 0.41 0.00 0.00 173.24 174.06 1h2o s TYR 81 N -1.67 -0.45 0.02 2.43 5.04 0.19 0.20 117.35 123.11 1h2o s TYR 81 Ca 0.02 1.02 0.00 0.00 -2.44 0.00 0.00 57.07 55.67 1h2o s TYR 81 Cb -0.08 0.16 -0.01 0.00 0.35 0.00 0.00 41.96 42.38 1h2o s TYR 81 CO 0.02 -0.25 -0.03 -1.12 -1.34 0.00 0.00 175.55 172.83 1h2o s SER 82 N 0.90 0.22 0.34 4.32 0.01 0.11 0.28 113.70 119.87 1h2o s SER 82 Ca -0.06 -0.36 -0.03 0.00 1.31 0.00 0.00 55.95 56.81 1h2o s SER 82 Cb -0.07 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.23 1h2o s SER 82 CO -0.07 -0.21 0.48 -0.72 0.41 0.00 0.00 173.24 173.14 1h2o s TYR 83 N -1.03 1.00 -0.11 2.43 1.13 0.36 -1.39 117.35 119.74 1h2o s TYR 83 Ca -0.11 -1.25 0.01 0.00 -1.41 0.00 0.00 57.07 54.31 1h2o s TYR 83 Cb -0.07 -0.05 0.02 0.00 -1.10 0.00 0.00 41.96 40.76 1h2o s TYR 83 CO -0.01 -1.13 -0.11 0.99 -2.51 0.00 0.00 175.55 172.78 1h2o s THR 84 N -3.10 1.21 -0.09 -3.49 2.01 0.13 0.17 115.64 112.48 1h2o s THR 84 Ca 0.30 -0.44 -0.15 0.00 0.31 0.00 0.00 61.69 61.71 1h2o s THR 84 Cb -0.00 -1.16 -0.05 0.00 0.01 0.00 0.00 72.50 71.30 1h2o s THR 84 CO 0.19 0.39 0.37 -0.22 -0.69 0.00 0.00 174.62 174.66 1h2o s LEU 85 N 1.30 4.34 -0.06 4.42 2.96 0.57 0.19 118.68 132.41 1h2o s LEU 85 Ca -0.02 0.74 0.03 0.00 -0.22 0.00 0.00 54.13 54.66 1h2o s LEU 85 Cb -0.14 -2.51 -0.06 0.00 0.50 0.00 0.00 46.19 43.99 1h2o s LEU 85 CO -0.05 0.17 -0.01 2.30 -1.32 0.00 0.00 176.35 177.45 1h2o n ILE 86 N 2.91 0.36 -4.83 6.68 -5.35 -0.75 -0.47 119.36 117.92 1h2o n ILE 86 Ca -0.12 -0.20 -0.33 0.00 -0.27 0.00 0.00 62.75 61.84 1h2o n ILE 86 Cb 0.52 -0.82 -0.14 0.00 -1.74 0.00 0.00 39.64 37.46 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 -2.13 3.03 -0.30 6.28 2.12 -1.25 -4.78 118.70 121.68 1h2o s GLU 87 Ca -0.05 -0.69 -0.18 0.00 0.36 0.00 0.00 54.97 54.42 1h2o s GLU 87 Cb 0.02 -2.53 0.19 0.00 0.26 0.00 0.00 34.13 32.07 1h2o s GLU 87 CO 0.19 0.38 1.22 0.20 -0.54 0.00 0.00 175.26 176.72 1h2o s GLY 88 N -0.09 0.26 0.47 -1.50 0.00 -1.26 -1.15 107.32 104.05 1h2o s GLY 88 Ca -0.02 3.58 0.25 0.00 0.00 0.00 0.00 44.72 48.53 1h2o s GLY 88 CO 0.04 3.21 1.74 -0.55 0.00 0.00 0.00 173.10 177.54 1h2o h ASP 89 N 6.71 0.00 0.30 1.64 3.32 -1.95 0.55 116.42 127.00 1h2o h ASP 89 Ca -0.17 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.55 1h2o h ASP 89 Cb 1.13 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.64 1h2o h ASP 89 CO 0.10 0.00 -1.90 0.00 -1.72 0.00 0.00 179.24 175.73 1h2o n ALA 90 N -1.79 1.27 0.42 3.45 0.00 -1.26 -4.11 120.51 118.48 1h2o n ALA 90 Ca -0.02 -0.75 0.12 0.00 0.00 0.00 0.00 53.44 52.79 1h2o n ALA 90 Cb 0.22 -0.71 0.19 0.00 0.00 0.00 0.00 19.45 19.15 1h2o n ALA 90 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1h2o h LEU 91 N 0.03 0.00 -0.80 0.00 8.10 -1.40 -3.26 115.31 117.97 1h2o h LEU 91 Ca -0.37 -0.07 -0.06 0.00 0.11 0.00 0.00 57.88 57.49 1h2o h LEU 91 Cb 2.03 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 42.25 1h2o h LEU 91 CO 0.07 0.04 -0.26 1.23 -4.11 0.00 0.00 178.44 175.41 1h2o h GLY 92 N 4.30 0.00 -0.02 0.17 0.00 -1.11 0.19 103.07 106.61 1h2o h GLY 92 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1h2o h GLY 92 CO 0.00 0.00 -0.24 -0.55 0.00 0.00 0.00 176.54 175.75 1h2o h ASP 93 N 0.00 -0.75 0.00 0.19 3.32 -1.71 -3.38 116.42 114.09 1h2o h ASP 93 Ca -0.00 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1h2o h ASP 93 Cb 0.90 0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1h2o h ASP 93 CO 0.03 -0.23 0.00 0.35 -1.72 0.00 0.00 179.24 177.68 1h2o n THR 94 N -3.83 0.11 -4.70 0.35 -2.24 -1.25 -5.09 114.28 97.64 1h2o n THR 94 Ca -0.03 -0.12 -0.32 0.00 -2.27 0.00 0.00 64.05 61.30 1h2o n THR 94 Cb 0.17 1.08 -0.08 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.11 2.36 0.00 3.22 1.43 0.66 -4.02 118.68 122.22 1h2o s LEU 95 Ca 0.00 -1.61 0.00 0.00 -1.03 0.00 0.00 54.13 51.49 1h2o s LEU 95 Cb 0.00 -0.77 0.00 0.00 0.03 0.00 0.00 46.19 45.45 1h2o s LEU 95 CO 0.00 -0.83 0.00 1.21 0.23 0.00 0.00 176.35 176.96 1h2o n GLU 96 N -1.27 0.00 -2.78 1.70 2.13 -0.65 -4.00 120.64 115.77 1h2o n GLU 96 Ca -0.17 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.27 1h2o n GLU 96 Cb 0.67 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.32 1h2o n GLU 96 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1h2o s LYS 97 N -0.13 4.69 0.00 5.31 1.02 -1.13 -4.57 119.74 124.93 1h2o s LYS 97 Ca 0.00 1.38 0.02 0.00 0.02 0.00 0.00 55.97 57.39 1h2o s LYS 97 Cb 0.00 -3.00 -0.01 0.00 -0.52 0.00 0.00 37.83 34.30 1h2o s LYS 97 CO 0.00 0.38 -0.06 0.42 -0.92 0.00 0.00 175.35 175.17 1h2o s ILE 98 N -1.43 0.49 -0.05 2.17 -1.09 0.38 -0.62 121.20 121.04 1h2o s ILE 98 Ca 0.46 -0.34 0.06 0.00 -2.23 0.00 0.00 60.65 58.60 1h2o s ILE 98 Cb -0.22 -0.43 -0.02 0.00 -1.58 0.00 0.00 42.46 40.22 1h2o s ILE 98 CO 0.27 0.09 -0.23 -0.94 -1.23 0.00 0.00 174.94 172.90 1h2o s SER 99 N -0.28 3.30 -0.05 3.58 1.04 0.50 -0.31 113.70 121.48 1h2o s SER 99 Ca 0.01 -0.43 0.02 0.00 0.48 0.00 0.00 55.95 56.03 1h2o s SER 99 Cb -0.03 -0.75 0.01 0.00 0.10 0.00 0.00 66.02 65.36 1h2o s SER 99 CO -0.00 0.28 -0.08 -0.31 0.98 0.00 0.00 173.24 174.11 1h2o s TYR 100 N -0.36 1.03 -0.04 5.02 2.02 0.45 0.91 117.35 126.37 1h2o s TYR 100 Ca 0.03 -0.32 0.03 0.00 -0.37 0.00 0.00 57.07 56.44 1h2o s TYR 100 Cb -0.12 -0.79 0.01 0.00 -0.40 0.00 0.00 41.96 40.65 1h2o s TYR 100 CO 0.02 -0.19 -0.12 -1.21 -1.57 0.00 0.00 175.55 172.48 1h2o s GLU 101 N 0.63 1.42 0.04 -0.62 2.02 0.66 0.13 118.70 122.97 1h2o s GLU 101 Ca -0.10 -0.41 0.06 0.00 0.02 0.00 0.00 54.97 54.53 1h2o s GLU 101 Cb -0.13 -1.24 -0.02 0.00 0.10 0.00 0.00 34.13 32.84 1h2o s GLU 101 CO 0.01 0.11 -0.17 0.99 0.02 0.00 0.00 175.26 176.22 1h2o s THR 102 N 0.34 1.38 -0.03 3.63 2.01 0.79 0.71 115.64 124.47 1h2o s THR 102 Ca -0.07 -1.06 -0.02 0.00 0.31 0.00 0.00 61.69 60.84 1h2o s THR 102 Cb -0.12 -1.21 0.02 0.00 0.01 0.00 0.00 72.50 71.19 1h2o s THR 102 CO 0.02 0.12 0.08 -0.54 -0.69 0.00 0.00 174.62 173.61 1h2o s LYS 103 N -1.10 0.06 0.14 4.92 1.02 0.50 0.57 119.74 125.85 1h2o s LYS 103 Ca 0.05 0.17 0.11 0.00 0.02 0.00 0.00 55.97 56.31 1h2o s LYS 103 Cb -0.08 -0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.14 1h2o s LYS 103 CO 0.01 -0.07 -0.25 -0.51 -0.92 0.00 0.00 175.35 173.62 1h2o s LEU 104 N 0.42 2.34 0.00 3.17 1.43 0.30 0.18 118.68 126.53 1h2o s LEU 104 Ca -0.03 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.30 1h2o s LEU 104 Cb -0.05 -1.15 0.00 0.00 0.03 0.00 0.00 46.19 45.03 1h2o s LEU 104 CO -0.02 0.14 0.00 0.52 0.23 0.00 0.00 176.35 177.23 1h2o n VAL 105 N 0.79 0.00 -5.25 -1.59 0.31 0.17 -4.59 118.33 108.17 1h2o n VAL 105 Ca -0.17 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 63.85 1h2o n VAL 105 Cb 0.54 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.31 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 -1.42 2.21 0.43 3.52 0.00 -1.26 -0.96 121.76 124.28 1h2o s ALA 106 Ca 0.00 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.89 1h2o s ALA 106 Cb 0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 23.12 22.49 1h2o s ALA 106 CO 0.00 0.50 0.63 -1.54 0.00 0.00 0.00 175.76 175.35 1h2o s SER 107 N -0.49 5.83 0.00 0.00 1.04 0.23 -4.62 113.70 115.69 1h2o s SER 107 Ca 0.06 0.17 0.20 0.00 0.48 0.00 0.00 55.95 56.86 1h2o s SER 107 Cb -0.11 -1.44 1.08 0.00 0.10 0.00 0.00 66.02 65.66 1h2o s SER 107 CO 0.00 -0.67 1.58 -0.81 0.98 0.00 0.00 173.24 174.33 1h2o n PRO 108 N -2.00 0.46 -0.03 4.02 -0.04 -1.26 -2.34 135.00 133.80 1h2o n PRO 108 Ca 0.01 0.05 0.11 0.00 -0.04 0.00 0.00 63.50 63.63 1h2o n PRO 108 Cb 0.58 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.13 2.87 0.00 3.54 3.41 -1.26 -4.95 113.62 116.10 1h2o n SER 109 Ca 0.12 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.83 1h2o n SER 109 Cb 0.11 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 1.23 2.62 1.40 5.00 0.00 -0.99 -5.05 105.19 109.40 1h2o n GLY 110 Ca 0.13 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 1h2o n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2o n GLY 111 N 0.00 -2.83 3.09 -0.02 0.00 -1.26 -4.69 105.19 99.48 1h2o n GLY 111 Ca 0.00 -1.42 -0.26 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.65 2.13 0.39 1.61 1.04 0.40 -0.60 113.70 116.03 1h2o s SER 112 Ca 0.29 -0.36 -0.18 0.00 0.48 0.00 0.00 55.95 56.17 1h2o s SER 112 Cb -0.03 -0.88 -0.10 0.00 0.10 0.00 0.00 66.02 65.11 1h2o s SER 112 CO 0.22 0.09 0.87 -0.63 0.98 0.00 0.00 173.24 174.77 1h2o s ILE 113 N 0.43 4.51 -0.21 -1.02 1.01 -0.13 0.13 121.20 125.92 1h2o s ILE 113 Ca -0.13 1.26 -0.01 0.00 0.00 0.00 0.00 60.65 61.77 1h2o s ILE 113 Cb -0.15 -3.61 0.06 0.00 0.01 0.00 0.00 42.46 38.77 1h2o s ILE 113 CO 0.04 -0.29 -0.01 -0.63 0.00 0.00 0.00 174.94 174.06 1h2o s ILE 114 N -2.13 1.00 -0.21 2.92 1.01 0.38 0.45 121.20 124.63 1h2o s ILE 114 Ca 0.59 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 60.28 1h2o s ILE 114 Cb -0.09 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.95 1h2o s ILE 114 CO 0.16 -0.14 0.17 -0.75 0.00 0.00 0.00 174.94 174.38 1h2o s LYS 115 N 1.64 4.16 0.16 2.79 2.20 0.48 -1.49 119.74 129.68 1h2o s LYS 115 Ca -0.03 -0.18 0.10 0.00 -0.36 0.00 0.00 55.97 55.49 1h2o s LYS 115 Cb -0.18 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 1h2o s LYS 115 CO -0.07 0.21 -0.21 0.45 -0.36 0.00 0.00 175.35 175.36 1h2o s SER 116 N 0.61 2.95 -0.28 1.43 0.15 0.17 0.19 113.70 118.91 1h2o s SER 116 Ca 0.09 -0.82 -0.15 0.00 0.70 0.00 0.00 55.95 55.78 1h2o s SER 116 Cb -0.12 -0.19 0.09 0.00 -1.71 0.00 0.00 66.02 64.09 1h2o s SER 116 CO 0.01 0.05 0.68 -0.89 1.20 0.00 0.00 173.24 174.29 1h2o s THR 117 N -1.66 -0.23 0.14 6.45 2.01 0.22 -0.69 115.64 121.88 1h2o s THR 117 Ca 0.15 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.19 1h2o s THR 117 Cb -0.08 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 1h2o s THR 117 CO 0.07 0.00 -0.09 -0.94 -0.69 0.00 0.00 174.62 172.97 1h2o s SER 118 N 1.93 1.71 -0.03 3.53 1.04 0.23 0.24 113.70 122.34 1h2o s SER 118 Ca -0.09 -1.02 0.02 0.00 0.48 0.00 0.00 55.95 55.35 1h2o s SER 118 Cb -0.07 0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.06 1h2o s SER 118 CO -0.20 -0.35 -0.09 -1.00 0.98 0.00 0.00 173.24 172.58 1h2o s HIS 119 N -3.37 0.94 0.05 5.02 3.76 0.26 -1.26 115.29 120.69 1h2o s HIS 119 Ca 0.16 -0.24 -0.05 0.00 -0.15 0.00 0.00 55.06 54.79 1h2o s HIS 119 Cb 0.03 -0.67 -0.05 0.00 1.11 0.00 0.00 32.58 33.00 1h2o s HIS 119 CO 0.00 -0.10 0.28 0.71 -0.85 0.00 0.00 174.74 174.78 1h2o s TYR 120 N 0.20 3.54 -0.43 1.40 1.51 -0.94 -0.37 117.35 122.26 1h2o s TYR 120 Ca -0.03 0.50 0.02 0.00 -1.01 0.00 0.00 57.07 56.55 1h2o s TYR 120 Cb -0.09 -1.94 0.13 0.00 -0.11 0.00 0.00 41.96 39.95 1h2o s TYR 120 CO 0.00 0.57 0.21 -1.01 -1.11 0.00 0.00 175.55 174.21 1h2o s HIS 121 N -1.42 2.40 0.93 2.71 3.76 0.21 -1.92 115.29 121.97 1h2o s HIS 121 Ca 0.32 -2.58 -0.11 0.00 -0.15 0.00 0.00 55.06 52.54 1h2o s HIS 121 Cb -0.13 -2.19 0.15 0.00 1.11 0.00 0.00 32.58 31.52 1h2o s HIS 121 CO 0.20 -0.80 1.09 0.95 -0.85 0.00 0.00 174.74 175.33 1h2o s THR 122 N 0.40 2.50 -0.18 1.30 -4.23 -1.03 -1.63 115.64 112.78 1h2o s THR 122 Ca 0.16 0.16 -0.04 0.00 -1.18 0.00 0.00 61.69 60.79 1h2o s THR 122 Cb -0.24 -2.49 0.09 0.00 1.34 0.00 0.00 72.50 71.20 1h2o s THR 122 CO -0.03 -0.21 0.28 -0.75 -0.54 0.00 0.00 174.62 173.36 1h2o s LYS 123 N -4.80 0.21 0.00 3.99 2.47 -1.26 -4.77 119.74 115.58 1h2o s LYS 123 Ca 0.65 0.55 0.00 0.00 -1.56 0.00 0.00 55.97 55.60 1h2o s LYS 123 Cb -0.20 -0.48 0.00 0.00 -1.46 0.00 0.00 37.83 35.69 1h2o s LYS 123 CO 0.58 -0.47 0.00 0.41 0.16 0.00 0.00 175.35 176.03 1h2o n GLY 124 N 5.35 1.81 2.77 5.54 0.00 -1.26 -4.71 105.19 114.68 1h2o n GLY 124 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 -5.68 -3.90 1.61 5.15 -1.26 -5.05 115.26 106.13 1h2o n ASN 125 Ca 0.00 -0.41 -0.11 0.00 -0.60 0.00 0.00 54.58 53.46 1h2o n ASN 125 Cb 0.00 -4.07 -0.13 0.00 -0.53 0.00 0.00 39.78 35.06 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 -3.22 0.04 0.35 3.44 -7.23 -1.26 -5.16 120.40 107.36 1h2o s VAL 126 Ca 0.26 -0.31 0.08 0.00 -1.81 0.00 0.00 61.98 60.20 1h2o s VAL 126 Cb -0.03 -0.11 -0.05 0.00 0.56 0.00 0.00 36.38 36.74 1h2o s VAL 126 CO 0.55 -0.17 0.09 -1.61 -0.31 0.00 0.00 175.10 173.66 1h2o s GLU 127 N -0.50 2.21 0.68 4.82 8.01 -1.26 -4.66 118.70 128.01 1h2o s GLU 127 Ca -0.05 -1.70 -0.03 0.00 0.01 0.00 0.00 54.97 53.20 1h2o s GLU 127 Cb -0.03 -2.03 0.09 0.00 -4.31 0.00 0.00 34.13 27.84 1h2o s GLU 127 CO -0.00 0.08 0.96 0.42 0.01 0.00 0.00 175.26 176.72 1h2o s ILE 128 N -2.50 2.32 0.14 -1.63 1.01 -1.26 -4.97 121.20 114.32 1h2o s ILE 128 Ca 0.37 -0.47 0.07 0.00 0.00 0.00 0.00 60.65 60.62 1h2o s ILE 128 Cb -0.00 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 1h2o s ILE 128 CO 0.21 0.00 -0.04 -0.54 0.00 0.00 0.00 174.94 174.57 1h2o s LYS 129 N -5.12 2.31 0.39 2.79 1.02 -1.26 -5.01 119.74 114.86 1h2o s LYS 129 Ca 0.62 -1.07 0.07 0.00 0.02 0.00 0.00 55.97 55.62 1h2o s LYS 129 Cb -0.08 -2.34 0.82 0.00 -0.52 0.00 0.00 37.83 35.71 1h2o s LYS 129 CO 0.43 0.48 2.01 0.93 -0.92 0.00 0.00 175.35 178.28 1h2o h GLU 130 N 3.08 0.62 -0.26 1.68 4.39 -1.99 -0.46 114.58 121.64 1h2o h GLU 130 Ca -0.48 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.16 1h2o h GLU 130 Cb 1.19 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 1h2o h GLU 130 CO 0.56 0.41 0.03 1.49 -1.16 0.00 0.00 179.01 180.34 1h2o h GLU 131 N 0.63 0.38 0.04 2.33 4.81 -1.97 0.26 114.58 121.06 1h2o h GLU 131 Ca 0.24 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1h2o h GLU 131 Cb 0.14 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1h2o h GLU 131 CO -0.06 0.38 -0.02 1.25 -0.73 0.00 0.00 179.01 179.83 1h2o h HIS 132 N 0.37 -0.05 -0.77 0.92 2.76 -1.51 0.60 115.15 117.46 1h2o h HIS 132 Ca 0.09 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.23 1h2o h HIS 132 Cb 0.20 0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.14 1h2o h HIS 132 CO 0.01 0.60 0.38 0.28 -1.30 0.00 0.00 177.93 177.89 1h2o h VAL 133 N -0.88 1.24 -0.07 5.26 2.07 -1.26 0.16 116.25 122.78 1h2o h VAL 133 Ca -0.01 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 1h2o h VAL 133 Cb 0.68 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1h2o h VAL 133 CO 0.01 0.29 -0.17 0.11 0.02 0.00 0.00 177.57 177.83 1h2o h LYS 134 N 1.09 0.24 -0.35 1.57 1.57 -0.58 -2.20 116.57 117.91 1h2o h LYS 134 Ca 0.27 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1h2o h LYS 134 Cb 0.11 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1h2o h LYS 134 CO -0.03 0.77 0.15 0.00 -0.57 0.00 0.00 179.45 179.76 1h2o h ALA 135 N 0.47 1.60 0.00 3.86 0.00 -0.73 -1.16 119.26 123.30 1h2o h ALA 135 Ca -0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1h2o h ALA 135 Cb 0.77 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1h2o h ALA 135 CO 0.04 0.32 -0.59 0.78 0.00 0.00 0.00 179.25 179.80 1h2o h GLY 136 N 0.64 0.00 1.76 0.00 0.00 -0.62 -1.46 103.07 103.38 1h2o h GLY 136 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.28 1h2o h GLY 136 CO -0.01 0.00 -0.75 0.50 0.00 0.00 0.00 176.54 176.27 1h2o h LYS 137 N 0.00 0.23 0.12 4.80 1.57 -0.58 -2.17 116.57 120.54 1h2o h LYS 137 Ca -0.01 -0.21 -0.27 0.00 -1.87 0.00 0.00 60.65 58.29 1h2o h LYS 137 Cb 1.06 0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.43 1h2o h LYS 137 CO 0.08 0.88 -1.22 1.49 -0.57 0.00 0.00 179.45 180.11 1h2o h GLU 138 N 0.15 0.33 -0.12 3.15 4.81 -1.20 -2.33 114.58 119.38 1h2o h GLU 138 Ca -0.03 -0.52 -0.13 0.00 -0.13 0.00 0.00 59.36 58.56 1h2o h GLU 138 Cb 1.33 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.88 1h2o h GLU 138 CO 0.12 1.23 -0.48 0.87 -0.73 0.00 0.00 179.01 180.01 1h2o h LYS 139 N 0.11 0.30 0.03 1.92 1.57 -1.27 -2.49 116.57 116.74 1h2o h LYS 139 Ca -0.14 -0.17 -0.25 0.00 -1.87 0.00 0.00 60.65 58.22 1h2o h LYS 139 Cb 1.93 0.01 0.02 0.00 0.08 0.00 0.00 32.23 34.27 1h2o h LYS 139 CO 0.21 0.72 -1.00 0.00 -0.57 0.00 0.00 179.45 178.81 1h2o h ALA 140 N 1.25 0.08 -0.63 3.86 0.00 -1.43 -3.07 119.26 119.32 1h2o h ALA 140 Ca 0.01 -0.69 0.01 0.00 0.00 0.00 0.00 54.91 54.24 1h2o h ALA 140 Cb 0.94 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1h2o h ALA 140 CO 0.08 0.61 0.41 1.03 0.00 0.00 0.00 179.25 181.38 1h2o h SER 141 N 0.24 0.71 -0.77 0.00 0.87 -1.37 -1.94 113.55 111.29 1h2o h SER 141 Ca -0.13 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.43 1h2o h SER 141 Cb 1.67 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 63.41 1h2o h SER 141 CO 0.19 0.51 0.50 0.78 -0.53 0.00 0.00 176.83 178.29 1h2o h ASN 142 N 0.84 0.85 -0.54 6.23 2.35 -1.50 -1.56 115.58 122.25 1h2o h ASN 142 Ca 0.23 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 1h2o h ASN 142 Cb -0.09 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.06 1h2o h ASN 142 CO -0.05 0.60 0.27 -0.07 -1.65 0.00 0.00 177.43 176.53 1h2o h LEU 143 N 1.00 0.72 -0.97 1.61 3.38 -1.31 -1.87 115.31 117.87 1h2o h LEU 143 Ca 0.30 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 1h2o h LEU 143 Cb -0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1h2o h LEU 143 CO -0.09 0.61 0.07 -0.26 0.09 0.00 0.00 178.44 178.87 1h2o h PHE 144 N 0.80 0.86 0.00 1.13 0.04 -0.57 -1.21 116.94 118.00 1h2o h PHE 144 Ca 0.20 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1h2o h PHE 144 Cb 0.09 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 37.99 1h2o h PHE 144 CO 0.01 0.75 0.00 1.63 -0.60 0.00 0.00 178.31 180.10 1h2o n LYS 145 N -4.25 0.12 0.10 1.51 5.02 -0.73 -2.39 118.16 117.55 1h2o n LYS 145 Ca 0.03 0.35 -0.18 0.00 -2.02 0.00 0.00 58.31 56.49 1h2o n LYS 145 Cb 0.26 -1.73 -0.14 0.00 -0.02 0.00 0.00 35.03 33.39 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 0.51 -0.03 -0.35 3.38 -0.94 -2.89 115.31 114.99 1h2o h LEU 146 Ca 0.00 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.37 1h2o h LEU 146 Cb 0.33 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1h2o h LEU 146 CO 0.00 1.48 -0.01 0.40 0.09 0.00 0.00 178.44 180.39 1h2o h ILE 147 N 0.09 1.33 -0.84 1.22 2.04 -1.35 0.07 117.51 120.06 1h2o h ILE 147 Ca -0.20 -1.01 0.14 0.00 1.00 0.00 0.00 64.86 64.79 1h2o h ILE 147 Cb 2.03 1.96 -0.09 0.00 -0.74 0.00 0.00 36.82 39.98 1h2o h ILE 147 CO 0.21 0.27 0.44 -0.33 0.00 0.00 0.00 178.15 178.74 1h2o h GLU 148 N -0.34 0.63 -0.15 2.37 5.08 -1.60 0.75 114.58 121.31 1h2o h GLU 148 Ca 0.01 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 1h2o h GLU 148 Cb 0.44 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1h2o h GLU 148 CO 0.00 0.41 -0.52 1.15 -1.00 0.00 0.00 179.01 179.06 1h2o h THR 149 N 0.64 1.33 0.12 1.13 2.02 -1.36 -0.61 112.91 116.20 1h2o h THR 149 Ca 0.45 -1.77 0.01 0.00 0.77 0.00 0.00 66.41 65.87 1h2o h THR 149 Cb 0.61 1.79 -0.04 0.00 -1.74 0.00 0.00 68.15 68.77 1h2o h THR 149 CO -0.35 0.54 -0.49 0.22 0.37 0.00 0.00 175.52 175.82 1h2o h TYR 150 N 0.33 -1.41 0.00 3.16 3.20 0.12 -1.77 116.97 120.60 1h2o h TYR 150 Ca 0.01 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.81 1h2o h TYR 150 Cb 1.03 0.60 -0.02 0.00 1.54 0.00 0.00 36.73 39.88 1h2o h TYR 150 CO 0.03 -0.55 -0.52 -0.07 -1.64 0.00 0.00 178.16 175.41 1h2o h LEU 151 N -0.70 0.00 -2.57 2.82 3.38 -1.51 0.61 115.31 117.34 1h2o h LEU 151 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1h2o h LEU 151 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1h2o h LEU 151 CO -0.26 0.52 0.14 0.50 0.09 0.00 0.00 178.44 179.43 1h2o h LYS 152 N 0.00 0.00 0.00 1.13 3.64 -0.33 -1.71 116.57 119.29 1h2o h LYS 152 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1h2o h LYS 152 Cb 1.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1h2o h LYS 152 CO 0.07 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.66 1h2o n GLY 153 N -1.14 0.12 3.07 5.01 0.00 -0.74 -4.92 105.19 106.59 1h2o n GLY 153 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.24 3.53 -2.00 1.61 3.76 0.21 -4.89 115.29 117.27 1h2o s HIS 154 Ca 0.00 -2.91 0.17 0.00 -0.15 0.00 0.00 55.06 52.17 1h2o s HIS 154 Cb 0.00 -3.13 1.01 0.00 1.11 0.00 0.00 32.58 31.57 1h2o s HIS 154 CO 0.00 -0.77 1.46 -0.35 -0.85 0.00 0.00 174.74 174.22 1h2o n PRO 155 N 2.97 0.68 0.00 8.40 -0.04 -1.26 -2.54 135.00 143.21 1h2o n PRO 155 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1h2o n PRO 155 Cb 0.37 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.89 1.15 -4.59 3.54 8.00 -1.26 -4.79 116.55 117.70 1h2o n ASP 156 Ca 0.13 -1.35 -0.42 0.00 0.71 0.00 0.00 54.79 53.85 1h2o n ASP 156 Cb 0.06 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1h2o n ASP 156 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h2o s ALA 157 N -0.35 2.82 -0.74 2.24 0.00 -1.05 -3.65 121.76 121.03 1h2o s ALA 157 Ca 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.97 1h2o s ALA 157 Cb 0.00 -4.03 0.09 0.00 0.00 0.00 0.00 23.12 19.18 1h2o s ALA 157 CO 0.00 -2.73 0.24 2.48 0.00 0.00 0.00 175.76 175.74 1h2o n TYR 158 N 10.35 -1.20 -1.12 0.00 0.18 -1.26 -4.98 117.16 119.13 1h2o n TYR 158 Ca 0.22 0.27 0.00 0.00 1.88 0.00 0.00 57.90 60.27 1h2o n TYR 158 Cb 0.47 -1.10 0.00 0.00 -0.38 0.00 0.00 39.34 38.33 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07