#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2o s TRP 3 N 0.00 3.92 -0.18 5.64 0.52 -1.26 -4.95 118.94 122.63 3h2o s TRP 3 Ca 0.00 1.72 0.16 0.00 0.02 0.00 0.00 56.10 58.01 3h2o s TRP 3 Cb 0.00 -2.83 0.50 0.00 -1.15 0.00 0.00 33.47 29.99 3h2o s TRP 3 CO 0.00 0.48 1.40 -0.40 0.02 0.00 0.00 176.95 178.45 3h2o n ASP 4 N 1.50 3.63 -3.99 2.95 5.68 -1.26 -4.88 116.55 120.18 3h2o n ASP 4 Ca -0.04 -3.08 -0.09 0.00 -0.50 0.00 0.00 54.79 51.08 3h2o n ASP 4 Cb 0.48 -0.54 -0.11 0.00 -1.14 0.00 0.00 41.12 39.81 3h2o n ASP 4 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 3h2o s TYR 5 N -2.87 0.29 0.33 2.11 -0.85 -1.26 -5.17 117.35 109.94 3h2o s TYR 5 Ca 0.41 -0.54 0.07 0.00 -0.52 0.00 0.00 57.07 56.49 3h2o s TYR 5 Cb 0.34 -0.21 -0.02 0.00 0.38 0.00 0.00 41.96 42.45 3h2o s TYR 5 CO 0.08 -0.19 0.35 -0.51 -1.52 0.00 0.00 175.55 173.75 3h2o s ASP 6 N -1.51 5.53 -1.10 -0.18 1.01 -1.26 -4.63 116.67 114.53 3h2o s ASP 6 Ca -0.15 -0.38 -0.04 0.00 0.71 0.00 0.00 52.55 52.69 3h2o s ASP 6 Cb -0.10 -1.08 0.18 0.00 1.01 0.00 0.00 42.92 42.93 3h2o s ASP 6 CO -0.01 -0.37 2.28 0.18 0.21 0.00 0.00 175.17 177.46 3h2o n LEU 7 N -1.45 7.63 -2.99 1.23 4.32 -0.03 -4.90 117.00 120.80 3h2o n LEU 7 Ca -0.02 -4.90 -0.43 0.00 -0.02 0.00 0.00 56.01 50.65 3h2o n LEU 7 Cb 0.59 -1.28 -0.07 0.00 -1.62 0.00 0.00 43.42 41.05 3h2o n LEU 7 CO 0.42 2.00 0.82 -2.11 -1.22 0.00 0.00 177.39 177.30 3h2o n ARG 8 N 1.01 0.00 -3.02 3.23 0.00 -1.26 -3.23 116.66 113.39 3h2o n ARG 8 Ca 0.56 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 58.31 3h2o n ARG 8 Cb 0.29 -0.97 -0.03 0.00 -0.00 0.00 0.00 32.46 31.76 3h2o n ARG 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3h2o n GLY 10 N 3.23 1.57 0.17 0.00 0.00 -1.26 -2.50 105.19 106.40 3h2o n GLY 10 Ca 0.19 -0.55 0.13 0.00 0.00 0.00 0.00 46.02 45.79 3h2o n GLY 10 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h2o h GLU 11 N 0.00 0.00 -5.59 1.61 4.11 -2.01 -3.45 114.58 109.25 3h2o h GLU 11 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.80 3h2o h GLU 11 Cb 0.00 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.16 3h2o h GLU 11 CO 0.00 0.00 -0.44 0.71 0.07 0.00 0.00 179.01 179.35 3h2o s TYR 12 N -3.53 1.95 -0.29 2.06 4.12 -1.04 -5.15 117.35 115.47 3h2o s TYR 12 Ca -0.00 -0.84 -0.15 0.00 0.02 0.00 0.00 57.07 56.10 3h2o s TYR 12 Cb 0.08 -1.78 0.11 0.00 -1.52 0.00 0.00 41.96 38.85 3h2o s TYR 12 CO 0.30 -0.00 0.78 0.99 0.02 0.00 0.00 175.55 177.63 3h2o s THR 13 N -2.79 -0.20 -0.06 -0.71 2.01 -1.26 0.06 115.64 112.70 3h2o s THR 13 Ca 0.23 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.26 3h2o s THR 13 Cb 0.01 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 3h2o s THR 13 CO 0.13 0.00 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.15 3h2o s LEU 14 N 1.83 2.68 -0.21 4.42 1.43 -1.20 -4.87 118.68 122.75 3h2o s LEU 14 Ca -0.09 -0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 52.73 3h2o s LEU 14 Cb -0.06 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 3h2o s LEU 14 CO -0.18 0.31 -0.02 0.21 0.23 0.00 0.00 176.35 176.90 3h2o s ASN 15 N -0.51 4.57 0.27 2.29 2.47 -1.26 -0.85 114.94 121.92 3h2o s ASN 15 Ca 0.07 -0.30 0.23 0.00 0.42 0.00 0.00 52.86 53.28 3h2o s ASN 15 Cb -0.12 -1.79 0.27 0.00 -1.45 0.00 0.00 41.25 38.17 3h2o s ASN 15 CO 0.01 0.01 1.37 -0.07 -3.72 0.00 0.00 177.10 174.71 3h2o h LEU 16 N 7.86 0.00 0.06 3.21 3.38 -1.88 -3.27 115.31 124.67 3h2o h LEU 16 Ca -0.38 -0.04 -0.29 0.00 0.09 0.00 0.00 57.88 57.26 3h2o h LEU 16 Cb 1.17 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 3h2o h LEU 16 CO 0.60 0.02 -1.52 0.78 0.09 0.00 0.00 178.44 178.41 3h2o h ASN 17 N 0.00 0.19 -0.26 -0.43 2.35 -1.93 -3.39 115.58 112.12 3h2o h ASN 17 Ca 0.00 -0.30 -0.14 0.00 -0.55 0.00 0.00 56.30 55.31 3h2o h ASN 17 Cb 0.92 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.22 3h2o h ASN 17 CO 0.00 1.25 -0.37 -0.08 -1.65 0.00 0.00 177.43 176.59 3h2o h GLU 18 N 0.03 0.79 -1.76 0.81 4.81 -1.81 -3.46 114.58 114.00 3h2o h GLU 18 Ca -0.22 -0.40 0.18 0.00 -0.13 0.00 0.00 59.36 58.78 3h2o h GLU 18 Cb 1.97 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 31.17 3h2o h GLU 18 CO 0.12 1.03 0.67 -1.59 -0.73 0.00 0.00 179.01 178.51 3h2o s LYS 19 N -4.38 0.52 0.24 1.92 -2.85 -1.26 -4.91 119.74 109.02 3h2o s LYS 19 Ca -0.10 -0.13 -0.31 0.00 -1.00 0.00 0.00 55.97 54.43 3h2o s LYS 19 Cb 0.12 0.24 -0.12 0.00 -2.06 0.00 0.00 37.83 36.01 3h2o s LYS 19 CO 0.86 -0.22 1.69 2.41 0.10 0.00 0.00 175.35 180.19 3h2o n THR 20 N 0.01 0.37 -3.61 3.79 -1.04 -1.26 -4.83 114.28 107.71 3h2o n THR 20 Ca -0.04 -0.09 -0.39 0.00 -2.04 0.00 0.00 64.05 61.49 3h2o n THR 20 Cb 0.59 -1.99 -0.11 0.00 -1.82 0.00 0.00 70.33 67.00 3h2o n THR 20 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3h2o s LEU 21 N 0.57 4.15 -0.15 -4.42 1.43 0.21 -4.97 118.68 115.50 3h2o s LEU 21 Ca 0.71 -0.36 -0.17 0.00 -1.03 0.00 0.00 54.13 53.28 3h2o s LEU 21 Cb -0.50 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 3h2o s LEU 21 CO 0.38 -0.16 0.44 -0.63 0.23 0.00 0.00 176.35 176.60 3h2o s ILE 22 N 1.68 5.20 -0.21 -0.59 1.01 -1.26 -2.82 121.20 124.20 3h2o s ILE 22 Ca 0.06 0.84 -0.08 0.00 0.00 0.00 0.00 60.65 61.46 3h2o s ILE 22 Cb -0.17 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 3h2o s ILE 22 CO 0.08 0.30 0.09 -0.32 0.00 0.00 0.00 174.94 175.10 3h2o s MET 23 N 0.87 3.96 -0.20 2.79 -2.45 -0.52 0.12 119.30 123.87 3h2o s MET 23 Ca 0.23 -0.34 -0.09 0.00 -1.25 0.00 0.00 55.69 54.24 3h2o s MET 23 Cb -0.15 -3.33 -0.05 0.00 1.25 0.00 0.00 34.83 32.55 3h2o s MET 23 CO 0.09 0.14 0.11 0.20 1.05 0.00 0.00 175.02 176.60 3h2o s GLY 24 N 0.77 1.98 -0.55 2.11 0.00 0.57 -1.68 107.32 110.50 3h2o s GLY 24 Ca 0.05 -0.75 -0.28 0.00 0.00 0.00 0.00 44.72 43.74 3h2o s GLY 24 CO 0.02 0.16 1.13 -0.42 0.00 0.00 0.00 173.10 173.99 3h2o s ILE 25 N 0.50 4.13 -0.17 0.90 1.01 -0.16 -1.13 121.20 126.28 3h2o s ILE 25 Ca 0.06 0.85 -0.29 0.00 0.00 0.00 0.00 60.65 61.27 3h2o s ILE 25 Cb -0.12 -4.66 -0.04 0.00 0.01 0.00 0.00 42.46 37.65 3h2o s ILE 25 CO -0.00 -1.23 1.77 -0.22 0.00 0.00 0.00 174.94 175.26 3h2o s LEU 26 N 4.65 3.93 -0.38 2.97 2.96 -0.44 -4.87 118.68 127.50 3h2o s LEU 26 Ca 0.41 1.85 -0.22 0.00 -0.22 0.00 0.00 54.13 55.96 3h2o s LEU 26 Cb -0.08 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.09 3h2o s LEU 26 CO 0.26 -1.32 0.71 0.54 -1.32 0.00 0.00 176.35 175.22 3h2o s ASN 27 N 4.86 6.45 -0.44 3.68 4.22 -1.26 -4.06 114.94 128.40 3h2o s ASN 27 Ca 0.79 0.12 -0.03 0.00 -2.14 0.00 0.00 52.86 51.59 3h2o s ASN 27 Cb -0.29 -2.36 0.10 0.00 1.28 0.00 0.00 41.25 39.98 3h2o s ASN 27 CO 0.32 -0.72 2.61 0.52 -2.04 0.00 0.00 177.10 177.80 3h2o n VAL 28 N 5.78 3.23 -1.57 3.54 0.31 -1.26 -4.96 118.33 123.40 3h2o n VAL 28 Ca 0.01 -2.76 -0.61 0.00 -0.01 0.00 0.00 64.34 60.96 3h2o n VAL 28 Cb 0.48 -1.53 -0.09 0.00 -0.91 0.00 0.00 33.84 31.79 3h2o n VAL 28 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3h2o n THR 29 N 0.72 0.00 -3.47 2.52 -2.24 -1.26 -4.86 114.28 105.70 3h2o n THR 29 Ca 0.46 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.84 3h2o n THR 29 Cb 0.56 -0.45 -0.10 0.00 -2.10 0.00 0.00 70.33 68.23 3h2o n THR 29 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3h2o s PRO 30 N 2.85 3.63 -0.85 -0.78 0.05 -1.26 -4.92 135.00 133.72 3h2o s PRO 30 Ca 0.96 -0.44 -0.25 0.00 0.05 0.00 0.00 61.00 61.31 3h2o s PRO 30 Cb -1.36 -3.77 -0.11 0.00 0.05 0.00 0.00 34.50 29.30 3h2o s PRO 30 CO 0.74 -0.43 2.22 0.16 0.05 0.00 0.00 177.00 179.74 3h2o s ASP 31 N 1.73 4.32 0.25 6.66 3.84 -1.26 -4.81 116.67 127.40 3h2o s ASP 31 Ca 0.09 -0.30 -0.04 0.00 -0.00 0.00 0.00 52.55 52.31 3h2o s ASP 31 Cb -0.17 -2.56 0.40 0.00 -1.38 0.00 0.00 42.92 39.22 3h2o s ASP 31 CO 0.11 -3.52 1.83 0.77 -0.00 0.00 0.00 175.17 174.36 3h2o h SER 32 N 12.07 0.80 0.00 2.11 4.64 -2.00 0.17 113.55 131.34 3h2o h SER 32 Ca 0.04 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3h2o h SER 32 Cb 1.00 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3h2o h SER 32 CO 1.08 0.48 0.22 0.49 -0.87 0.00 0.00 176.83 178.23 3h2o n PHE 33 N -4.66 0.46 -4.26 4.77 3.01 -1.26 -4.42 117.46 111.10 3h2o n PHE 33 Ca 0.14 0.24 -0.18 0.00 1.01 0.00 0.00 57.45 58.67 3h2o n PHE 33 Cb 0.25 -0.73 -0.11 0.00 -0.01 0.00 0.00 39.48 38.88 3h2o n PHE 33 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3h2o s SER 34 N -3.47 2.05 -0.09 4.37 0.15 0.60 -5.03 113.70 112.27 3h2o s SER 34 Ca -0.02 -0.86 0.17 0.00 0.70 0.00 0.00 55.95 55.94 3h2o s SER 34 Cb 0.04 -0.07 -0.23 0.00 -1.71 0.00 0.00 66.02 64.05 3h2o s SER 34 CO 0.12 -0.17 0.40 -0.90 1.20 0.00 0.00 173.24 173.89 3h2o n ASP 35 N 0.33 0.34 -1.34 5.45 5.68 -1.26 -4.64 116.55 121.11 3h2o n ASP 35 Ca -0.14 0.16 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 3h2o n ASP 35 Cb 0.58 0.76 0.00 0.00 -1.14 0.00 0.00 41.12 41.32 3h2o n ASP 35 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h2o n GLY 36 N 1.57 4.24 2.53 6.12 0.00 -1.26 -3.22 105.19 115.17 3h2o n GLY 36 Ca -0.21 -2.13 -0.01 0.00 0.00 0.00 0.00 46.02 43.67 3h2o n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h2o n GLY 37 N 5.00 1.16 3.07 -0.02 0.00 -1.26 -4.92 105.19 108.23 3h2o n GLY 37 Ca 0.00 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 3h2o n GLY 37 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h2o n SER 38 N 3.19 -3.11 -0.08 1.61 7.64 -1.26 -4.83 113.62 116.78 3h2o n SER 38 Ca 0.02 0.68 -0.08 0.00 1.01 0.00 0.00 58.87 60.50 3h2o n SER 38 Cb 0.04 -0.81 -0.01 0.00 -1.01 0.00 0.00 64.21 62.42 3h2o n SER 38 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3h2o h TYR 39 N 0.13 0.30 0.39 1.43 3.20 -2.00 -2.97 116.97 117.44 3h2o h TYR 39 Ca -0.37 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.49 3h2o h TYR 39 Cb 1.36 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.54 3h2o h TYR 39 CO 0.24 0.17 -0.19 -0.91 -1.64 0.00 0.00 178.16 175.84 3h2o h ASN 40 N 0.33 -0.44 -0.90 -2.11 2.35 -1.99 -1.57 115.58 111.25 3h2o h ASN 40 Ca 0.12 -0.00 0.17 0.00 -0.55 0.00 0.00 56.30 56.03 3h2o h ASN 40 Cb 0.02 0.11 -0.16 0.00 0.05 0.00 0.00 38.32 38.34 3h2o h ASN 40 CO -0.07 -0.29 -0.29 -0.08 -1.65 0.00 0.00 177.43 175.05 3h2o h GLU 41 N -0.55 -0.02 0.00 0.81 4.81 -1.90 0.52 114.58 118.25 3h2o h GLU 41 Ca -0.05 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 3h2o h GLU 41 Cb 0.42 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3h2o h GLU 41 CO 0.09 -0.01 -0.37 0.28 -0.73 0.00 0.00 179.01 178.27 3h2o h VAL 42 N -0.02 0.70 -0.93 0.32 2.07 -1.40 -3.07 116.25 113.93 3h2o h VAL 42 Ca 0.39 -1.63 0.18 0.00 0.82 0.00 0.00 66.70 66.47 3h2o h VAL 42 Cb 0.64 1.43 -0.18 0.00 -1.52 0.00 0.00 31.29 31.66 3h2o h VAL 42 CO -0.93 0.24 -0.23 -0.67 0.02 0.00 0.00 177.57 176.00 3h2o n ASP 43 N -4.63 -0.34 0.11 0.57 2.03 -0.60 0.23 116.55 113.92 3h2o n ASP 43 Ca -0.11 1.59 0.05 0.00 0.52 0.00 0.00 54.79 56.84 3h2o n ASP 43 Cb 0.33 -0.48 0.49 0.00 -0.72 0.00 0.00 41.12 40.75 3h2o n ASP 43 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h2o h ALA 44 N 1.84 1.77 0.01 -1.67 0.00 -0.97 0.29 119.26 120.53 3h2o h ALA 44 Ca 0.44 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.26 3h2o h ALA 44 Cb 0.67 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3h2o h ALA 44 CO -0.95 0.19 -0.20 0.00 0.00 0.00 0.00 179.25 178.29 3h2o h ALA 45 N 1.81 0.02 0.00 0.00 0.00 0.30 -3.15 119.26 118.24 3h2o h ALA 45 Ca 0.08 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3h2o h ALA 45 Cb 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3h2o h ALA 45 CO -0.01 0.05 -0.02 0.28 0.00 0.00 0.00 179.25 179.55 3h2o h VAL 46 N -0.60 0.80 0.00 0.00 2.07 0.31 0.56 116.25 119.38 3h2o h VAL 46 Ca -0.03 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 3h2o h VAL 46 Cb 0.99 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3h2o h VAL 46 CO 0.04 0.02 -0.08 0.03 0.02 0.00 0.00 177.57 177.59 3h2o h ARG 47 N 0.00 0.00 0.00 1.57 3.08 -0.44 -2.32 114.38 116.27 3h2o h ARG 47 Ca -0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 3h2o h ARG 47 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3h2o h ARG 47 CO 0.00 0.08 -1.70 1.58 -1.07 0.00 0.00 179.97 178.87 3h2o n HIS 48 N -3.20 0.00 0.12 3.04 -0.00 0.02 -3.24 115.22 111.96 3h2o n HIS 48 Ca 0.01 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.06 3h2o n HIS 48 Cb 0.37 -0.45 -0.08 0.00 -0.12 0.00 0.00 29.99 29.71 3h2o n HIS 48 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3h2o h ALA 49 N 0.79 -0.35 -1.03 1.57 0.00 -1.15 -2.85 119.26 116.25 3h2o h ALA 49 Ca -0.19 -0.20 0.27 0.00 0.00 0.00 0.00 54.91 54.79 3h2o h ALA 49 Cb 1.25 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.10 3h2o h ALA 49 CO 0.01 -0.48 0.68 1.57 0.00 0.00 0.00 179.25 181.03 3h2o h LYS 50 N -0.78 0.30 0.11 0.00 2.10 -1.55 1.36 116.57 118.11 3h2o h LYS 50 Ca -0.04 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 3h2o h LYS 50 Cb 0.51 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 3h2o h LYS 50 CO 0.06 0.20 -0.05 0.93 -2.00 0.00 0.00 179.45 178.58 3h2o h GLU 51 N 0.30 -0.15 -0.32 0.07 5.08 -1.56 -1.85 114.58 116.16 3h2o h GLU 51 Ca 0.55 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.83 3h2o h GLU 51 Cb 1.58 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.85 3h2o h GLU 51 CO -0.21 0.07 -0.18 0.52 -1.00 0.00 0.00 179.01 178.22 3h2o h MET 52 N -0.35 0.58 -0.65 2.33 2.86 0.18 0.34 114.93 120.22 3h2o h MET 52 Ca -0.02 -0.20 0.14 0.00 -2.06 0.00 0.00 59.70 57.56 3h2o h MET 52 Cb 0.29 -0.05 -0.12 0.00 0.06 0.00 0.00 31.60 31.78 3h2o h MET 52 CO 0.03 0.74 -0.08 -0.09 1.06 0.00 0.00 176.91 178.56 3h2o h ARG 53 N 0.53 0.05 0.00 1.72 2.43 0.18 0.24 114.38 119.53 3h2o h ARG 53 Ca 0.09 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3h2o h ARG 53 Cb 0.61 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3h2o h ARG 53 CO 0.04 0.03 0.00 -0.25 -1.51 0.00 0.00 179.97 178.28 3h2o n ASP 54 N -5.37 0.17 -0.11 -3.80 8.00 0.11 -3.32 116.55 112.23 3h2o n ASP 54 Ca 0.09 0.54 0.11 0.00 0.71 0.00 0.00 54.79 56.24 3h2o n ASP 54 Cb 0.37 -0.58 0.06 0.00 -0.02 0.00 0.00 41.12 40.94 3h2o n ASP 54 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3h2o n GLU 55 N -1.69 0.29 0.00 -1.24 -0.58 0.84 -4.95 120.64 113.32 3h2o n GLU 55 Ca 0.03 -0.22 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 3h2o n GLU 55 Cb 0.18 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 3h2o n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h2o n GLY 56 N 1.47 1.29 3.75 0.62 0.00 -1.16 -4.18 105.19 106.99 3h2o n GLY 56 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3h2o n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2o s ALA 57 N -2.00 3.43 -1.78 4.61 0.00 -1.17 -4.70 121.76 120.15 3h2o s ALA 57 Ca 0.00 0.17 0.15 0.00 0.00 0.00 0.00 51.96 52.28 3h2o s ALA 57 Cb 0.00 -2.88 0.20 0.00 0.00 0.00 0.00 23.12 20.45 3h2o s ALA 57 CO 0.00 0.12 1.09 0.72 0.00 0.00 0.00 175.76 177.69 3h2o n HIS 58 N 2.72 0.17 -3.66 0.00 8.25 0.12 -4.65 115.22 118.17 3h2o n HIS 58 Ca -0.05 -0.13 -0.14 0.00 -0.26 0.00 0.00 57.72 57.14 3h2o n HIS 58 Cb 0.51 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.53 3h2o n HIS 58 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h2o s ILE 59 N -1.22 0.01 -0.21 1.59 1.01 -0.85 -4.35 121.20 117.19 3h2o s ILE 59 Ca 0.22 -0.09 -0.06 0.00 0.00 0.00 0.00 60.65 60.72 3h2o s ILE 59 Cb 0.14 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.80 3h2o s ILE 59 CO 0.20 -0.05 0.02 -0.63 0.00 0.00 0.00 174.94 174.48 3h2o s ILE 60 N -0.34 4.10 -0.23 2.92 -1.09 -0.79 -0.32 121.20 125.46 3h2o s ILE 60 Ca -0.05 -0.26 -0.16 0.00 -2.23 0.00 0.00 60.65 57.95 3h2o s ILE 60 Cb -0.03 -2.87 -0.04 0.00 -1.58 0.00 0.00 42.46 37.95 3h2o s ILE 60 CO 0.03 0.41 0.43 -0.62 -1.23 0.00 0.00 174.94 173.97 3h2o s ASP 61 N 1.06 6.41 -0.49 3.58 -1.08 -0.28 0.19 116.67 126.06 3h2o s ASP 61 Ca 0.03 0.49 0.00 0.00 -0.52 0.00 0.00 52.55 52.55 3h2o s ASP 61 Cb -0.14 -2.24 0.13 0.00 -1.46 0.00 0.00 42.92 39.20 3h2o s ASP 61 CO 0.02 -0.15 0.26 -0.63 0.52 0.00 0.00 175.17 175.19 3h2o s ILE 62 N 1.70 3.06 1.10 4.11 1.01 -0.47 -1.33 121.20 130.39 3h2o s ILE 62 Ca 0.19 -2.71 -0.18 0.00 0.00 0.00 0.00 60.65 57.94 3h2o s ILE 62 Cb -0.15 -3.09 0.26 0.00 0.01 0.00 0.00 42.46 39.49 3h2o s ILE 62 CO 0.09 -0.76 1.26 -0.83 0.00 0.00 0.00 174.94 174.70 3h2o s GLY 63 N 0.77 1.74 -0.36 6.18 0.00 -1.26 -2.75 107.32 111.64 3h2o s GLY 63 Ca 0.14 -1.24 -0.39 0.00 0.00 0.00 0.00 44.72 43.22 3h2o s GLY 63 CO -0.04 -0.36 2.01 0.58 0.00 0.00 0.00 173.10 175.30 3h2o n LYS 73 N -4.27 0.84 -3.73 2.90 2.85 -1.26 -4.85 118.16 110.65 3h2o n LYS 73 Ca 0.16 0.27 -0.13 0.00 -1.05 0.00 0.00 58.31 57.56 3h2o n LYS 73 Cb 0.59 -2.11 -0.10 0.00 -0.65 0.00 0.00 35.03 32.77 3h2o n LYS 73 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3h2o s VAL 74 N 5.66 0.01 0.52 0.58 1.01 -1.26 -5.17 120.40 121.75 3h2o s VAL 74 Ca 1.08 -0.08 -0.23 0.00 0.00 0.00 0.00 61.98 62.76 3h2o s VAL 74 Cb -1.08 -0.60 -0.06 0.00 0.00 0.00 0.00 36.38 34.64 3h2o s VAL 74 CO 0.59 -0.04 1.37 -0.55 0.00 0.00 0.00 175.10 176.47 3h2o s SER 75 N -0.09 5.45 0.09 3.32 0.15 -1.26 -4.97 113.70 116.40 3h2o s SER 75 Ca -0.03 2.79 -0.34 0.00 0.70 0.00 0.00 55.95 59.07 3h2o s SER 75 Cb -0.03 -2.64 -0.15 0.00 -1.71 0.00 0.00 66.02 61.48 3h2o s SER 75 CO 0.02 -1.45 1.53 -0.37 1.20 0.00 0.00 173.24 174.17 3h2o h VAL 76 N 1.68 0.00 -0.94 4.45 -1.51 -2.02 -3.06 116.25 114.86 3h2o h VAL 76 Ca -0.51 0.00 0.25 0.00 -1.23 0.00 0.00 66.70 65.21 3h2o h VAL 76 Cb 1.29 0.00 -0.17 0.00 -2.13 0.00 0.00 31.29 30.28 3h2o h VAL 76 CO 0.58 0.00 0.05 -0.33 -1.23 0.00 0.00 177.57 176.64 3h2o h GLU 77 N -0.86 0.05 0.36 5.19 4.39 -1.99 0.49 114.58 122.21 3h2o h GLU 77 Ca -0.03 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3h2o h GLU 77 Cb 0.79 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.43 3h2o h GLU 77 CO -0.17 0.03 -0.22 0.93 -1.16 0.00 0.00 179.01 178.42 3h2o h GLU 78 N 0.05 -0.54 -0.54 2.33 5.08 -1.95 0.01 114.58 119.01 3h2o h GLU 78 Ca 0.56 0.04 0.15 0.00 -1.00 0.00 0.00 59.36 59.12 3h2o h GLU 78 Cb 1.14 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 3h2o h GLU 78 CO -0.85 -0.36 0.39 0.93 -1.00 0.00 0.00 179.01 178.11 3h2o h GLU 79 N -0.56 0.01 0.05 2.33 4.39 0.03 2.74 114.58 123.57 3h2o h GLU 79 Ca -0.04 -0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.45 3h2o h GLU 79 Cb 0.46 -0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.13 3h2o h GLU 79 CO 0.04 0.00 -0.87 0.82 -1.16 0.00 0.00 179.01 177.84 3h2o h ILE 80 N 0.01 1.38 0.01 3.13 2.04 -0.57 -1.79 117.51 121.72 3h2o h ILE 80 Ca 0.26 -2.27 -0.23 0.00 1.00 0.00 0.00 64.86 63.61 3h2o h ILE 80 Cb 1.02 2.68 0.00 0.00 -0.74 0.00 0.00 36.82 39.79 3h2o h ILE 80 CO -0.00 0.67 -0.96 0.11 0.00 0.00 0.00 178.15 177.97 3h2o h LYS 81 N 0.03 0.43 -0.61 2.37 1.57 0.12 -1.79 116.57 118.70 3h2o h LYS 81 Ca -0.12 -0.47 0.11 0.00 -1.87 0.00 0.00 60.65 58.29 3h2o h LYS 81 Cb 1.58 0.14 -0.12 0.00 0.08 0.00 0.00 32.23 33.91 3h2o h LYS 81 CO 0.17 1.13 -0.31 0.00 -0.57 0.00 0.00 179.45 179.87 3h2o h ARG 82 N 0.24 -0.13 0.00 3.15 2.47 0.47 -3.37 114.38 117.21 3h2o h ARG 82 Ca -0.09 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.62 3h2o h ARG 82 Cb 1.60 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.95 3h2o h ARG 82 CO 0.17 -0.09 -1.24 1.55 0.56 0.00 0.00 179.97 180.92 3h2o n VAL 83 N -5.44 0.08 0.18 2.04 3.14 -0.67 -4.42 118.33 113.24 3h2o n VAL 83 Ca 0.05 -0.13 0.02 0.00 -2.96 0.00 0.00 64.34 61.32 3h2o n VAL 83 Cb 0.36 0.05 0.34 0.00 -1.06 0.00 0.00 33.84 33.53 3h2o n VAL 83 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 3h2o h VAL 84 N 0.00 1.28 0.00 1.55 2.07 -1.52 -0.98 116.25 118.65 3h2o h VAL 84 Ca -0.03 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.14 3h2o h VAL 84 Cb 0.50 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3h2o h VAL 84 CO 0.00 0.38 -0.36 -2.65 0.02 0.00 0.00 177.57 174.96 3h2o n PRO 85 N -4.07 0.26 -0.02 1.57 -0.02 -1.26 -3.35 135.00 128.10 3h2o n PRO 85 Ca -0.02 0.13 -0.19 0.00 -2.02 0.00 0.00 63.50 61.40 3h2o n PRO 85 Cb 0.42 -1.71 -0.14 0.00 -0.02 0.00 0.00 33.50 32.05 3h2o n PRO 85 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3h2o h MET 86 N 0.00 0.16 -0.59 -0.52 2.86 -1.71 -3.05 114.93 112.08 3h2o h MET 86 Ca 0.00 -0.27 0.12 0.00 -2.06 0.00 0.00 59.70 57.49 3h2o h MET 86 Cb 0.72 0.10 -0.10 0.00 0.06 0.00 0.00 31.60 32.38 3h2o h MET 86 CO 0.00 1.13 0.03 0.82 1.06 0.00 0.00 176.91 179.95 3h2o h ILE 87 N -0.62 0.54 -0.19 -1.22 2.04 -1.34 -2.78 117.51 113.94 3h2o h ILE 87 Ca -0.17 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 3h2o h ILE 87 Cb 1.44 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 3h2o h ILE 87 CO 0.03 0.03 -0.10 -0.61 0.00 0.00 0.00 178.15 177.50 3h2o h GLN 88 N 0.15 0.29 0.35 2.37 4.15 -1.64 0.19 115.11 120.97 3h2o h GLN 88 Ca 0.31 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.65 3h2o h GLN 88 Cb 0.49 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.14 3h2o h GLN 88 CO -0.48 0.41 -0.17 0.00 -1.93 0.00 0.00 178.83 176.66 3h2o h ALA 89 N 1.62 -0.47 -0.21 3.38 0.00 -1.38 -3.16 119.26 119.04 3h2o h ALA 89 Ca 0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3h2o h ALA 89 Cb 0.36 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3h2o h ALA 89 CO 0.02 -0.50 0.01 0.28 0.00 0.00 0.00 179.25 179.05 3h2o h VAL 90 N -0.99 1.13 -0.06 0.00 2.07 -1.26 0.51 116.25 117.65 3h2o h VAL 90 Ca -0.05 -0.51 -0.14 0.00 0.82 0.00 0.00 66.70 66.81 3h2o h VAL 90 Cb 0.51 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3h2o h VAL 90 CO 0.08 0.17 -0.60 0.77 0.02 0.00 0.00 177.57 178.01 3h2o h SER 91 N 0.31 0.24 1.04 0.57 4.64 -0.74 0.24 113.55 119.84 3h2o h SER 91 Ca 0.07 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3h2o h SER 91 Cb 0.20 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3h2o h SER 91 CO 0.00 0.78 -0.72 0.50 -0.87 0.00 0.00 176.83 176.53 3h2o h LYS 92 N 0.16 0.00 0.00 4.77 3.64 -0.99 -3.37 116.57 120.78 3h2o h LYS 92 Ca -0.01 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 3h2o h LYS 92 Cb 1.10 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 3h2o h LYS 92 CO 0.09 0.00 -1.78 0.39 -2.27 0.00 0.00 179.45 175.88 3h2o n GLU 93 N -2.46 1.07 -4.03 1.90 -0.58 0.16 -4.98 120.64 111.73 3h2o n GLU 93 Ca 0.02 -0.07 -0.31 0.00 -0.42 0.00 0.00 57.16 56.38 3h2o n GLU 93 Cb 0.50 -1.35 -0.16 0.00 -0.57 0.00 0.00 31.44 29.86 3h2o n GLU 93 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3h2o s VAL 94 N -2.69 1.67 -1.33 2.62 1.01 0.81 -5.04 120.40 117.45 3h2o s VAL 94 Ca -0.06 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 3h2o s VAL 94 Cb 0.07 -1.61 0.12 0.00 0.00 0.00 0.00 36.38 34.95 3h2o s VAL 94 CO 0.58 0.38 1.93 2.29 0.00 0.00 0.00 175.10 180.29 3h2o n LYS 95 N 4.72 3.31 -3.63 2.72 0.00 -1.26 -4.68 118.16 119.33 3h2o n LYS 95 Ca -0.17 -3.24 -0.10 0.00 -0.00 0.00 0.00 58.31 54.80 3h2o n LYS 95 Cb 0.49 -3.10 -0.04 0.00 -0.00 0.00 0.00 35.03 32.37 3h2o n LYS 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3h2o s LEU 96 N 1.17 0.19 0.53 -5.58 1.43 -1.26 -5.15 118.68 110.01 3h2o s LEU 96 Ca 0.44 -0.32 -0.19 0.00 -1.03 0.00 0.00 54.13 53.02 3h2o s LEU 96 Cb 0.09 2.01 -0.06 0.00 0.03 0.00 0.00 46.19 48.26 3h2o s LEU 96 CO -0.02 -0.92 1.10 -2.16 0.23 0.00 0.00 176.35 174.58 3h2o s PRO 97 N -3.82 3.47 -0.06 1.29 0.04 -1.26 -4.91 135.00 129.75 3h2o s PRO 97 Ca 0.05 1.52 -0.00 0.00 0.04 0.00 0.00 61.00 62.60 3h2o s PRO 97 Cb 0.01 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.54 3h2o s PRO 97 CO -0.10 -0.74 -0.03 0.42 0.04 0.00 0.00 177.00 176.59 3h2o s ILE 98 N -1.88 0.56 -0.07 0.56 1.01 -1.26 -1.88 121.20 118.23 3h2o s ILE 98 Ca 0.71 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 61.30 3h2o s ILE 98 Cb -0.21 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.60 3h2o s ILE 98 CO 0.26 0.26 -0.07 -0.94 0.00 0.00 0.00 174.94 174.45 3h2o s SER 99 N 1.43 4.66 -0.02 3.58 1.04 0.13 0.14 113.70 124.66 3h2o s SER 99 Ca -0.03 -0.02 -0.15 0.00 0.48 0.00 0.00 55.95 56.24 3h2o s SER 99 Cb -0.13 -1.19 -0.05 0.00 0.10 0.00 0.00 66.02 64.74 3h2o s SER 99 CO -0.03 0.36 0.40 -0.51 0.98 0.00 0.00 173.24 174.44 3h2o s ILE 100 N -0.78 5.07 -0.95 -1.02 1.10 -0.80 -1.36 121.20 122.45 3h2o s ILE 100 Ca 0.12 0.82 -0.01 0.00 -0.51 0.00 0.00 60.65 61.07 3h2o s ILE 100 Cb -0.11 -3.71 0.31 0.00 0.15 0.00 0.00 42.46 39.10 3h2o s ILE 100 CO 0.01 0.55 1.42 -0.67 -2.11 0.00 0.00 174.94 174.14 3h2o n ASP 101 N 2.09 6.10 -4.25 4.50 4.64 -1.11 -0.08 116.55 128.45 3h2o n ASP 101 Ca -0.13 -3.52 -0.17 0.00 -1.38 0.00 0.00 54.79 49.58 3h2o n ASP 101 Cb 0.52 -1.09 -0.11 0.00 -1.04 0.00 0.00 41.12 39.41 3h2o n ASP 101 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 3h2o s THR 102 N -3.32 1.32 -2.17 5.18 -1.32 -1.09 -4.82 115.64 109.43 3h2o s THR 102 Ca 0.36 -1.82 0.20 0.00 -1.21 0.00 0.00 61.69 59.22 3h2o s THR 102 Cb 0.12 -1.62 0.08 0.00 -1.51 0.00 0.00 72.50 69.57 3h2o s THR 102 CO 0.01 -0.49 1.06 0.00 -2.21 0.00 0.00 174.62 172.98 3h2o n TYR 103 N 0.33 0.00 -3.52 9.09 0.18 -1.26 -4.22 117.16 117.76 3h2o n TYR 103 Ca -0.14 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.27 3h2o n TYR 103 Cb 0.58 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.47 3h2o n TYR 103 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 3h2o s LYS 104 N -1.92 4.14 0.14 -3.48 2.36 -1.26 -4.26 119.74 115.46 3h2o s LYS 104 Ca 0.20 0.20 -0.10 0.00 -2.55 0.00 0.00 55.97 53.73 3h2o s LYS 104 Cb 0.16 -3.37 -0.05 0.00 -1.05 0.00 0.00 37.83 33.53 3h2o s LYS 104 CO 0.36 0.36 1.42 0.00 1.55 0.00 0.00 175.35 179.04 3h2o h ALA 105 N 6.15 0.50 -0.94 3.13 0.00 -1.92 0.29 119.26 126.48 3h2o h ALA 105 Ca -0.44 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 53.94 3h2o h ALA 105 Cb 1.18 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 3h2o h ALA 105 CO 0.71 0.69 0.58 1.05 0.00 0.00 0.00 179.25 182.28 3h2o h GLU 106 N 0.60 1.27 -0.48 0.00 9.09 -1.96 -2.14 114.58 120.96 3h2o h GLU 106 Ca 0.01 -0.11 -0.14 0.00 0.05 0.00 0.00 59.36 59.18 3h2o h GLU 106 Cb 1.17 -0.27 -0.01 0.00 -1.65 0.00 0.00 28.75 27.99 3h2o h GLU 106 CO 0.12 0.88 -0.23 0.28 0.05 0.00 0.00 179.01 180.11 3h2o h VAL 107 N 1.30 1.27 0.22 -1.06 2.07 -1.93 -3.21 116.25 114.90 3h2o h VAL 107 Ca 0.34 -1.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 3h2o h VAL 107 Cb -0.08 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3h2o h VAL 107 CO -0.07 0.48 -0.16 0.00 0.02 0.00 0.00 177.57 177.85 3h2o h ALA 108 N 0.87 -0.36 -0.23 1.67 0.00 0.11 -2.42 119.26 118.90 3h2o h ALA 108 Ca 0.11 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3h2o h ALA 108 Cb 0.81 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3h2o h ALA 108 CO 0.07 -0.72 -0.26 1.57 0.00 0.00 0.00 179.25 179.91 3h2o h LYS 109 N -0.38 -0.16 -0.90 0.00 2.10 -1.47 -2.25 116.57 113.51 3h2o h LYS 109 Ca -0.01 0.01 0.21 0.00 -2.00 0.00 0.00 60.65 58.85 3h2o h LYS 109 Cb 0.34 0.04 -0.12 0.00 -0.90 0.00 0.00 32.23 31.58 3h2o h LYS 109 CO -0.00 -0.10 0.43 1.96 -2.00 0.00 0.00 179.45 179.73 3h2o h GLN 110 N -0.16 0.46 0.61 0.07 1.08 -1.51 0.30 115.11 115.95 3h2o h GLN 110 Ca 0.04 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.18 3h2o h GLN 110 Cb 0.27 -0.10 0.01 0.00 -0.05 0.00 0.00 27.48 27.60 3h2o h GLN 110 CO -0.30 0.30 -0.29 0.00 -0.95 0.00 0.00 178.83 177.59 3h2o h ALA 111 N 1.68 -1.09 -0.93 3.87 0.00 -0.94 0.75 119.26 122.60 3h2o h ALA 111 Ca 0.55 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.44 3h2o h ALA 111 Cb 0.99 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 3h2o h ALA 111 CO -0.48 -1.03 0.59 0.82 0.00 0.00 0.00 179.25 179.15 3h2o h ILE 112 N -0.91 0.78 -0.47 0.00 2.04 -0.81 0.79 117.51 118.93 3h2o h ILE 112 Ca -0.08 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.60 3h2o h ILE 112 Cb 0.63 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 3h2o h ILE 112 CO 0.14 0.12 0.20 -0.33 0.00 0.00 0.00 178.15 178.29 3h2o h GLU 113 N 0.68 0.39 0.25 2.37 5.08 -0.17 -2.91 114.58 120.27 3h2o h GLU 113 Ca 0.48 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 3h2o h GLU 113 Cb 0.83 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 3h2o h GLU 113 CO -0.24 0.26 -0.25 0.00 -1.00 0.00 0.00 179.01 177.79 3h2o h ALA 114 N 1.28 -0.51 0.00 3.43 0.00 0.71 -3.45 119.26 120.72 3h2o h ALA 114 Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3h2o h ALA 114 Cb 0.17 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3h2o h ALA 114 CO -0.19 -0.82 0.00 0.41 0.00 0.00 0.00 179.25 178.66 3h2o n GLY 115 N -1.37 0.00 3.78 0.00 0.00 0.11 -4.74 105.19 102.98 3h2o n GLY 115 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 3h2o n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2o s ALA 116 N 0.00 2.57 -0.08 4.61 0.00 -0.44 -4.82 121.76 123.61 3h2o s ALA 116 Ca 0.00 0.49 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 3h2o s ALA 116 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 3h2o s ALA 116 CO 0.00 -1.10 -0.09 0.72 0.00 0.00 0.00 175.76 175.30 3h2o n HIS 117 N -2.27 0.00 -4.33 0.00 -0.00 0.37 -4.45 115.22 104.54 3h2o n HIS 117 Ca 0.10 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.63 3h2o n HIS 117 Cb 0.52 -0.29 -0.15 0.00 -0.00 0.00 0.00 29.99 30.08 3h2o n HIS 117 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3h2o s ILE 118 N -2.15 0.66 -0.22 1.59 1.01 -1.16 -4.39 121.20 116.55 3h2o s ILE 118 Ca -0.11 -0.34 -0.08 0.00 0.00 0.00 0.00 60.65 60.12 3h2o s ILE 118 Cb 0.03 -0.57 -0.04 0.00 0.01 0.00 0.00 42.46 41.90 3h2o s ILE 118 CO 0.16 0.20 0.09 -0.63 0.00 0.00 0.00 174.94 174.75 3h2o s ILE 119 N -0.07 4.74 -0.41 2.92 1.01 -0.02 -1.91 121.20 127.46 3h2o s ILE 119 Ca 0.01 -0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.50 3h2o s ILE 119 Cb -0.05 -3.18 0.05 0.00 0.01 0.00 0.00 42.46 39.29 3h2o s ILE 119 CO -0.00 0.39 0.27 0.21 0.00 0.00 0.00 174.94 175.81 3h2o s ASN 120 N 0.95 5.86 -0.16 3.58 2.47 0.89 0.00 114.94 128.53 3h2o s ASN 120 Ca 0.05 -1.17 -0.04 0.00 0.42 0.00 0.00 52.86 52.12 3h2o s ASN 120 Cb -0.14 -2.07 -0.03 0.00 -1.45 0.00 0.00 41.25 37.56 3h2o s ASN 120 CO 0.03 -0.49 -0.04 -0.62 -3.72 0.00 0.00 177.10 172.27 3h2o s ASP 121 N 1.92 4.78 0.00 -4.21 3.68 -0.94 -2.67 116.67 119.23 3h2o s ASP 121 Ca 0.03 -0.14 0.27 0.00 2.13 0.00 0.00 52.55 54.85 3h2o s ASP 121 Cb -0.21 -1.78 0.95 0.00 -1.45 0.00 0.00 42.92 40.43 3h2o s ASP 121 CO 0.06 0.17 1.69 2.30 0.13 0.00 0.00 175.17 179.51 3h2o n ILE 122 N 3.56 0.00 -0.01 4.11 -5.35 -1.26 -2.78 119.36 117.63 3h2o n ILE 122 Ca -0.17 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 3h2o n ILE 122 Cb 0.52 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 38.97 3h2o n ILE 122 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3h2o n TRP 123 N 0.11 0.00 -3.78 4.28 7.02 -1.26 -4.64 117.44 119.17 3h2o n TRP 123 Ca 0.18 -0.48 -0.27 0.00 -1.02 0.00 0.00 57.50 55.91 3h2o n TRP 123 Cb 0.37 -0.05 0.02 0.00 -2.42 0.00 0.00 31.31 29.23 3h2o n TRP 123 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h2o n GLY 124 N -0.48 -0.57 3.81 6.99 0.00 -1.22 0.06 105.19 113.78 3h2o n GLY 124 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3h2o n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2o n ALA 125 N -4.26 0.00 0.08 4.61 0.00 -1.26 -4.48 120.51 115.19 3h2o n ALA 125 Ca -0.22 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.05 3h2o n ALA 125 Cb 0.64 -0.42 -0.10 0.00 0.00 0.00 0.00 19.45 19.58 3h2o n ALA 125 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3h2o h LYS 126 N 1.14 0.51 -0.59 0.00 1.57 -0.75 -2.94 116.57 115.50 3h2o h LYS 126 Ca 0.00 -0.63 -0.02 0.00 -1.87 0.00 0.00 60.65 58.13 3h2o h LYS 126 Cb 0.00 0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 3h2o h LYS 126 CO 0.00 1.25 0.30 0.00 -0.57 0.00 0.00 179.45 180.43 3h2o h ALA 127 N 0.51 0.75 -1.44 3.86 0.00 -1.87 -3.38 119.26 117.69 3h2o h ALA 127 Ca -0.13 -0.12 -0.25 0.00 0.00 0.00 0.00 54.91 54.41 3h2o h ALA 127 Cb 1.78 -0.23 -0.24 0.00 0.00 0.00 0.00 17.79 19.10 3h2o h ALA 127 CO 0.20 0.30 -0.60 -1.83 0.00 0.00 0.00 179.25 177.32 3h2o s GLU 128 N -5.77 0.88 0.49 0.00 -1.05 -1.26 -5.02 118.70 106.97 3h2o s GLU 128 Ca -0.13 -0.97 0.38 0.00 -0.15 0.00 0.00 54.97 54.10 3h2o s GLU 128 Cb 0.13 -0.39 1.55 0.00 -0.44 0.00 0.00 34.13 34.98 3h2o s GLU 128 CO 0.78 -1.27 1.63 -1.00 0.95 0.00 0.00 175.26 176.34 3h2o h PRO 129 N 6.12 0.05 -0.16 -4.83 0.13 -1.70 0.99 132.00 132.61 3h2o h PRO 129 Ca 0.09 -0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.26 3h2o h PRO 129 Cb 1.08 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3h2o h PRO 129 CO 0.13 0.03 0.20 0.87 -0.23 0.00 0.00 178.00 179.00 3h2o h LYS 130 N 0.05 0.00 -0.39 0.86 6.56 -1.95 -1.29 116.57 120.41 3h2o h LYS 130 Ca 0.83 0.00 0.08 0.00 -1.06 0.00 0.00 60.65 60.51 3h2o h LYS 130 Cb 2.95 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 34.53 3h2o h LYS 130 CO -0.23 0.00 -0.25 0.97 -2.06 0.00 0.00 179.45 177.88 3h2o h ILE 131 N 0.00 0.34 -1.00 1.86 2.10 -1.13 -2.13 117.51 117.55 3h2o h ILE 131 Ca 0.07 0.00 0.15 0.00 1.08 0.00 0.00 64.86 66.17 3h2o h ILE 131 Cb 0.47 0.34 -0.09 0.00 -1.09 0.00 0.00 36.82 36.45 3h2o h ILE 131 CO -0.00 0.00 0.62 0.00 -1.08 0.00 0.00 178.15 177.69 3h2o h ALA 132 N 0.98 1.62 -0.59 0.18 0.00 -1.45 0.93 119.26 120.93 3h2o h ALA 132 Ca 0.19 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3h2o h ALA 132 Cb 0.48 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3h2o h ALA 132 CO -0.50 0.07 0.37 0.93 0.00 0.00 0.00 179.25 180.13 3h2o h GLU 133 N 0.87 0.71 -0.38 0.00 5.08 -1.50 -0.40 114.58 118.96 3h2o h GLU 133 Ca 0.53 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.83 3h2o h GLU 133 Cb 0.70 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3h2o h GLU 133 CO -0.31 0.47 0.15 0.28 -1.00 0.00 0.00 179.01 178.60 3h2o h VAL 134 N 0.74 1.19 -0.50 3.13 2.07 -0.77 0.25 116.25 122.36 3h2o h VAL 134 Ca 0.23 -0.60 0.09 0.00 0.82 0.00 0.00 66.70 67.24 3h2o h VAL 134 Cb -0.01 0.88 -0.08 0.00 -1.52 0.00 0.00 31.29 30.56 3h2o h VAL 134 CO -0.08 0.21 0.05 0.00 0.02 0.00 0.00 177.57 177.77 3h2o h ALA 135 N 0.99 0.52 -0.30 1.67 0.00 -0.63 -1.00 119.26 120.51 3h2o h ALA 135 Ca 0.13 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.23 3h2o h ALA 135 Cb 0.19 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 3h2o h ALA 135 CO -0.01 -0.35 -0.38 0.00 0.00 0.00 0.00 179.25 178.51 3h2o h ALA 136 N 1.42 -0.39 0.15 0.00 0.00 -0.47 0.04 119.26 120.01 3h2o h ALA 136 Ca 0.25 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3h2o h ALA 136 Cb 0.36 0.78 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3h2o h ALA 136 CO -0.37 -0.83 -0.07 1.25 0.00 0.00 0.00 179.25 179.23 3h2o h HIS 137 N -0.35 -0.18 -0.02 0.00 6.17 0.54 -1.15 115.15 120.16 3h2o h HIS 137 Ca 0.13 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.20 3h2o h HIS 137 Cb 0.58 0.06 0.00 0.00 2.52 0.00 0.00 27.41 30.57 3h2o h HIS 137 CO -0.54 0.11 0.00 0.66 0.71 0.00 0.00 177.93 178.87 3h2o n TYR 138 N -5.05 0.02 -3.55 5.26 4.01 -0.48 -4.94 117.16 112.43 3h2o n TYR 138 Ca -0.09 -0.01 -0.20 0.00 -0.16 0.00 0.00 57.90 57.44 3h2o n TYR 138 Cb 0.20 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.25 3h2o n TYR 138 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3h2o n ASP 139 N -0.66 -5.87 -4.03 7.72 4.64 -0.07 -5.00 116.55 113.28 3h2o n ASP 139 Ca 0.14 -0.73 -0.12 0.00 -1.38 0.00 0.00 54.79 52.69 3h2o n ASP 139 Cb 0.09 -3.31 -0.12 0.00 -1.04 0.00 0.00 41.12 36.74 3h2o n ASP 139 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3h2o s VAL 140 N -3.17 0.41 0.50 5.18 -7.23 -0.77 -4.93 120.40 110.40 3h2o s VAL 140 Ca 0.18 -0.94 -0.22 0.00 -1.81 0.00 0.00 61.98 59.19 3h2o s VAL 140 Cb -0.06 -0.49 -0.08 0.00 0.56 0.00 0.00 36.38 36.31 3h2o s VAL 140 CO 0.84 -0.36 0.96 -2.65 -0.31 0.00 0.00 175.10 173.59 3h2o n PRO 141 N 1.67 1.14 -4.39 4.82 -0.02 -1.26 -4.78 135.00 132.18 3h2o n PRO 141 Ca -0.22 0.42 -0.21 0.00 -2.02 0.00 0.00 63.50 61.47 3h2o n PRO 141 Cb 0.55 -2.08 -0.13 0.00 -0.02 0.00 0.00 33.50 31.82 3h2o n PRO 141 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3h2o s ILE 142 N -1.40 1.19 -0.21 4.25 2.07 -0.83 -0.84 121.20 125.42 3h2o s ILE 142 Ca 0.68 -1.03 -0.08 0.00 -1.41 0.00 0.00 60.65 58.81 3h2o s ILE 142 Cb -0.49 -1.07 -0.04 0.00 0.13 0.00 0.00 42.46 40.99 3h2o s ILE 142 CO 0.53 0.03 0.09 -0.63 -1.91 0.00 0.00 174.94 173.05 3h2o s ILE 143 N -0.85 4.81 -0.13 2.00 1.01 0.10 -1.87 121.20 126.27 3h2o s ILE 143 Ca 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.61 3h2o s ILE 143 Cb -0.08 -3.20 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 3h2o s ILE 143 CO 0.01 0.41 0.01 -0.76 0.00 0.00 0.00 174.94 174.61 3h2o s LEU 144 N 0.80 3.59 0.05 2.97 1.43 -0.13 -2.22 118.68 125.18 3h2o s LEU 144 Ca 0.04 0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.29 3h2o s LEU 144 Cb -0.13 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 3h2o s LEU 144 CO 0.02 0.26 -0.20 -0.32 0.23 0.00 0.00 176.35 176.35 3h2o s MET 145 N -0.19 1.99 0.18 1.70 1.75 -1.12 0.14 119.30 123.75 3h2o s MET 145 Ca 0.06 -1.03 -0.30 0.00 -1.25 0.00 0.00 55.69 53.17 3h2o s MET 145 Cb -0.12 -2.14 -0.07 0.00 2.84 0.00 0.00 34.83 35.33 3h2o s MET 145 CO 0.02 0.53 0.99 -1.58 -0.65 0.00 0.00 175.02 174.33 3h2o s HIS 146 N -0.93 3.81 -0.26 4.11 2.46 -0.25 -3.84 115.29 120.38 3h2o s HIS 146 Ca 0.14 1.79 -0.30 0.00 0.47 0.00 0.00 55.06 57.16 3h2o s HIS 146 Cb -0.10 -3.09 0.18 0.00 -0.13 0.00 0.00 32.58 29.43 3h2o s HIS 146 CO 0.05 0.06 1.28 1.21 -2.47 0.00 0.00 174.74 174.87 3h2o s ASN 147 N -0.45 -0.10 0.30 9.88 2.47 -1.26 -4.26 114.94 121.52 3h2o s ASN 147 Ca 0.45 0.10 -0.17 0.00 0.42 0.00 0.00 52.86 53.67 3h2o s ASN 147 Cb -0.26 0.09 0.06 0.00 -1.45 0.00 0.00 41.25 39.69 3h2o s ASN 147 CO 0.32 -0.10 0.85 -2.11 -3.72 0.00 0.00 177.10 172.34 3h2o n ARG 148 N 0.49 0.91 -0.30 0.43 1.85 -1.26 -5.03 116.66 113.75 3h2o n ARG 148 Ca -0.02 -1.86 0.07 0.00 -1.00 0.00 0.00 57.85 55.04 3h2o n ARG 148 Cb 0.59 2.38 0.10 0.00 -1.05 0.00 0.00 32.46 34.48 3h2o n ARG 148 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 3h2o n ASP 149 N -1.42 1.60 -0.74 2.89 5.75 -1.26 -4.67 116.55 118.71 3h2o n ASP 149 Ca -0.06 -2.83 0.00 0.00 -0.01 0.00 0.00 54.79 51.89 3h2o n ASP 149 Cb 0.57 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 3h2o n ASP 149 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3h2o n ASN 150 N -0.94 0.00 -2.70 -1.12 0.23 -1.26 -5.11 115.26 104.36 3h2o n ASN 150 Ca 0.12 -0.74 -0.05 0.00 -0.53 0.00 0.00 54.58 53.38 3h2o n ASN 150 Cb 0.68 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.49 3h2o n ASN 150 CO 0.00 0.00 0.00 1.15 -0.93 0.00 0.00 177.26 177.48 3h2o n MET 151 N 0.00 1.30 -3.74 -3.83 0.00 -1.26 -4.81 117.12 104.78 3h2o n MET 151 Ca 0.00 -1.88 -0.37 0.00 0.00 0.00 0.00 57.70 55.44 3h2o n MET 151 Cb 0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 33.22 32.97 3h2o n MET 151 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 3h2o s ASN 152 N -1.60 5.22 -0.03 3.17 0.01 -1.26 -5.00 114.94 115.44 3h2o s ASN 152 Ca 0.18 -0.62 0.04 0.00 -0.71 0.00 0.00 52.86 51.75 3h2o s ASN 152 Cb 0.42 -1.91 -0.00 0.00 0.41 0.00 0.00 41.25 40.16 3h2o s ASN 152 CO -0.09 -0.18 -0.16 -0.31 -1.51 0.00 0.00 177.10 174.85 3h2o s TYR 153 N 1.54 1.58 -0.05 2.20 1.51 -1.26 -4.99 117.35 117.88 3h2o s TYR 153 Ca 0.03 -0.42 -0.20 0.00 -1.01 0.00 0.00 57.07 55.48 3h2o s TYR 153 Cb -0.17 -1.06 -0.14 0.00 -0.11 0.00 0.00 41.96 40.48 3h2o s TYR 153 CO 0.03 -0.13 0.83 -0.09 -1.11 0.00 0.00 175.55 175.09 3h2o h ARG 154 N 6.15 -0.27 -3.70 -0.62 2.43 -2.02 -3.43 114.38 112.92 3h2o h ARG 154 Ca -0.33 0.02 -0.56 0.00 -0.81 0.00 0.00 59.98 58.30 3h2o h ARG 154 Cb 1.17 0.06 -0.40 0.00 -0.42 0.00 0.00 29.97 30.38 3h2o h ARG 154 CO 0.48 0.10 -0.77 1.21 -1.51 0.00 0.00 179.97 179.49 3h2o s ASN 155 N -5.36 3.46 0.00 -3.80 2.47 -1.26 -5.05 114.94 105.39 3h2o s ASN 155 Ca -0.12 -1.16 0.00 0.00 0.42 0.00 0.00 52.86 52.00 3h2o s ASN 155 Cb 0.01 -0.79 0.00 0.00 -1.45 0.00 0.00 41.25 39.01 3h2o s ASN 155 CO 0.43 -0.33 0.46 -0.11 -3.72 0.00 0.00 177.10 173.83 3h2o n LEU 156 N 4.91 0.00 0.08 3.21 7.94 -1.26 0.69 117.00 132.56 3h2o n LEU 156 Ca -0.07 0.46 -0.06 0.00 -1.11 0.00 0.00 56.01 55.23 3h2o n LEU 156 Cb 0.45 -0.15 -0.03 0.00 0.53 0.00 0.00 43.42 44.21 3h2o n LEU 156 CO 0.13 -0.15 0.51 0.24 -1.11 0.00 0.00 177.39 177.01 3h2o h MET 157 N 0.00 -0.30 -1.00 1.96 2.86 -1.96 0.27 114.93 116.76 3h2o h MET 157 Ca 0.00 0.02 0.34 0.00 -2.06 0.00 0.00 59.70 58.00 3h2o h MET 157 Cb 0.00 0.07 -0.15 0.00 0.06 0.00 0.00 31.60 31.57 3h2o h MET 157 CO 0.00 -0.20 0.56 0.00 1.06 0.00 0.00 176.91 178.33 3h2o h ALA 158 N -1.37 1.98 -0.01 6.32 0.00 -1.81 0.50 119.26 124.86 3h2o h ALA 158 Ca -0.01 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3h2o h ALA 158 Cb 0.28 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3h2o h ALA 158 CO -0.05 -0.64 -0.00 -0.44 0.00 0.00 0.00 179.25 178.12 3h2o h ASP 159 N 0.27 0.02 -0.37 0.00 3.32 0.94 0.11 116.42 120.70 3h2o h ASP 159 Ca 0.75 -0.36 0.04 0.00 0.02 0.00 0.00 57.03 57.49 3h2o h ASP 159 Cb 1.76 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 41.24 3h2o h ASP 159 CO -0.64 0.37 -0.42 -0.03 -1.72 0.00 0.00 179.24 176.81 3h2o h MET 160 N -0.33 -0.24 -0.56 3.56 4.05 0.35 0.79 114.93 122.55 3h2o h MET 160 Ca 0.00 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.49 3h2o h MET 160 Cb 0.36 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.17 3h2o h MET 160 CO 0.00 -0.16 0.29 0.82 0.23 0.00 0.00 176.91 178.09 3h2o h ILE 161 N -0.25 0.96 -0.01 1.77 2.04 -0.92 1.09 117.51 122.20 3h2o h ILE 161 Ca 0.06 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3h2o h ILE 161 Cb 0.42 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3h2o h ILE 161 CO -0.48 0.10 -0.01 0.00 0.00 0.00 0.00 178.15 177.76 3h2o h ALA 162 N 1.30 -0.32 -0.88 1.87 0.00 -0.50 -1.16 119.26 119.57 3h2o h ALA 162 Ca 0.25 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.29 3h2o h ALA 162 Cb 0.14 0.70 -0.09 0.00 0.00 0.00 0.00 17.79 18.54 3h2o h ALA 162 CO -0.16 -0.32 0.48 -0.44 0.00 0.00 0.00 179.25 178.80 3h2o h ASP 163 N -0.01 0.62 0.05 0.00 3.32 0.44 0.72 116.42 121.56 3h2o h ASP 163 Ca 0.00 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.15 3h2o h ASP 163 Cb 0.01 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 3h2o h ASP 163 CO -0.01 0.28 -0.22 -0.07 -1.72 0.00 0.00 179.24 177.51 3h2o h LEU 164 N 0.71 -0.64 -0.68 1.55 3.38 0.11 -2.66 115.31 117.08 3h2o h LEU 164 Ca 0.47 0.08 0.15 0.00 0.09 0.00 0.00 57.88 58.66 3h2o h LEU 164 Cb 0.61 0.25 -0.11 0.00 0.09 0.00 0.00 40.66 41.50 3h2o h LEU 164 CO -0.33 -0.30 0.02 0.22 0.09 0.00 0.00 178.44 178.14 3h2o h TYR 165 N -0.37 -0.01 0.00 1.13 3.20 0.18 0.42 116.97 121.52 3h2o h TYR 165 Ca 0.05 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3h2o h TYR 165 Cb 0.43 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.81 3h2o h TYR 165 CO -0.24 -0.18 0.00 -0.25 -1.64 0.00 0.00 178.16 175.85 3h2o n ASP 166 N -5.29 0.24 -0.00 -2.11 8.00 -0.88 -1.26 116.55 115.26 3h2o n ASP 166 Ca 0.11 0.59 -0.12 0.00 0.71 0.00 0.00 54.79 56.08 3h2o n ASP 166 Cb 0.40 -0.63 -0.09 0.00 -0.02 0.00 0.00 41.12 40.78 3h2o n ASP 166 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3h2o h SER 167 N 0.00 -0.08 -0.59 -2.24 0.02 0.16 -3.32 113.55 107.50 3h2o h SER 167 Ca 0.00 -0.55 0.16 0.00 -0.84 0.00 0.00 61.79 60.57 3h2o h SER 167 Cb 0.13 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 3h2o h SER 167 CO 0.00 0.58 0.42 0.40 -1.14 0.00 0.00 176.83 177.09 3h2o h ILE 168 N -0.81 0.72 0.09 3.27 2.04 -0.78 -0.39 117.51 121.66 3h2o h ILE 168 Ca -0.01 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 3h2o h ILE 168 Cb 0.62 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 3h2o h ILE 168 CO 0.02 0.01 -0.05 0.50 0.00 0.00 0.00 178.15 178.63 3h2o h LYS 169 N 0.04 -0.12 0.05 2.37 1.63 -1.28 0.37 116.57 119.62 3h2o h LYS 169 Ca 0.28 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.09 3h2o h LYS 169 Cb 1.07 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 3h2o h LYS 169 CO -0.01 0.00 -0.02 0.82 -3.45 0.00 0.00 179.45 176.79 3h2o h ILE 170 N -0.22 1.08 -0.27 2.00 2.04 -1.33 0.62 117.51 121.43 3h2o h ILE 170 Ca -0.01 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.45 3h2o h ILE 170 Cb 0.18 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 3h2o h ILE 170 CO 0.02 0.11 -0.25 0.00 0.00 0.00 0.00 178.15 178.03 3h2o h ALA 171 N 0.69 -0.41 -0.81 1.87 0.00 -0.91 0.69 119.26 120.38 3h2o h ALA 171 Ca -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3h2o h ALA 171 Cb 0.23 0.99 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 3h2o h ALA 171 CO 0.01 -0.55 0.42 0.87 0.00 0.00 0.00 179.25 180.00 3h2o h LYS 172 N -0.11 1.15 -0.06 0.00 1.57 -0.04 0.18 116.57 119.25 3h2o h LYS 172 Ca 0.05 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3h2o h LYS 172 Cb 0.23 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3h2o h LYS 172 CO -0.32 0.86 -0.06 -0.44 -0.57 0.00 0.00 179.45 178.93 3h2o h ASP 173 N 1.13 -0.18 0.07 0.86 3.45 0.58 -2.48 116.42 119.86 3h2o h ASP 173 Ca 0.28 0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.77 3h2o h ASP 173 Cb 0.07 0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 38.93 3h2o h ASP 173 CO -0.04 -0.08 -0.05 0.00 -1.57 0.00 0.00 179.24 177.50 3h2o h ALA 174 N 0.99 1.75 0.00 3.45 0.00 -0.06 -3.46 119.26 121.94 3h2o h ALA 174 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h2o h ALA 174 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3h2o h ALA 174 CO -0.11 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.62 3h2o n GLY 175 N -1.29 1.50 3.69 0.00 0.00 -0.03 -4.80 105.19 104.27 3h2o n GLY 175 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3h2o n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h2o s VAL 176 N -1.56 4.91 0.63 1.61 1.01 -0.90 -4.76 120.40 121.34 3h2o s VAL 176 Ca 0.00 1.73 -0.18 0.00 0.00 0.00 0.00 61.98 63.53 3h2o s VAL 176 Cb 0.00 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 3h2o s VAL 176 CO 0.00 0.11 1.24 -0.13 0.00 0.00 0.00 175.10 176.32 3h2o s ARG 177 N 1.53 2.73 0.36 2.72 0.52 -1.26 -4.47 118.95 121.08 3h2o s ARG 177 Ca 0.42 1.91 0.03 0.00 -0.52 0.00 0.00 55.73 57.58 3h2o s ARG 177 Cb -0.18 -1.89 0.67 0.00 0.52 0.00 0.00 34.95 34.07 3h2o s ARG 177 CO 0.18 -1.42 2.01 -0.44 0.02 0.00 0.00 175.30 175.65 3h2o h ASP 178 N 0.64 0.70 -0.63 0.23 3.32 -1.97 -1.54 116.42 117.17 3h2o h ASP 178 Ca -0.50 -0.02 0.13 0.00 0.02 0.00 0.00 57.03 56.66 3h2o h ASP 178 Cb 1.31 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.66 3h2o h ASP 178 CO 0.54 0.50 0.43 -0.33 -1.72 0.00 0.00 179.24 178.66 3h2o h GLU 179 N 0.82 0.27 -1.07 3.56 5.08 -1.98 -2.24 114.58 119.03 3h2o h GLU 179 Ca 0.24 -0.02 -0.39 0.00 -1.00 0.00 0.00 59.36 58.19 3h2o h GLU 179 Cb -0.05 -0.06 -0.22 0.00 0.50 0.00 0.00 28.75 28.92 3h2o h GLU 179 CO -0.06 0.18 0.50 0.09 -1.00 0.00 0.00 179.01 178.73 3h2o n ASN 180 N -4.45 4.31 -4.13 1.42 5.03 -0.58 -4.92 115.26 111.94 3h2o n ASN 180 Ca 0.11 -3.19 -0.26 0.00 0.87 0.00 0.00 54.58 52.12 3h2o n ASN 180 Cb 0.50 -0.80 -0.16 0.00 -1.02 0.00 0.00 39.78 38.30 3h2o n ASN 180 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3h2o s ILE 181 N -2.56 1.42 0.05 2.41 1.01 -0.84 -1.97 121.20 120.72 3h2o s ILE 181 Ca 0.41 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.40 3h2o s ILE 181 Cb 0.34 -1.22 -0.02 0.00 0.01 0.00 0.00 42.46 41.57 3h2o s ILE 181 CO 0.06 0.41 -0.14 -0.63 0.00 0.00 0.00 174.94 174.63 3h2o s ILE 182 N 0.03 1.14 -0.07 2.92 1.01 -0.78 -4.26 121.20 121.19 3h2o s ILE 182 Ca -0.04 -1.13 0.02 0.00 0.00 0.00 0.00 60.65 59.51 3h2o s ILE 182 Cb -0.11 -1.06 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 3h2o s ILE 182 CO 0.02 -0.07 -0.13 -0.76 0.00 0.00 0.00 174.94 174.00 3h2o s LEU 183 N -1.37 2.76 -0.09 2.97 1.43 0.19 -0.95 118.68 123.62 3h2o s LEU 183 Ca 0.01 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 3h2o s LEU 183 Cb -0.09 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.57 3h2o s LEU 183 CO 0.02 0.30 -0.10 -0.62 0.23 0.00 0.00 176.35 176.18 3h2o s ASP 184 N -0.44 1.95 0.52 2.29 3.68 0.12 -0.60 116.67 124.19 3h2o s ASP 184 Ca 0.05 -0.30 0.26 0.00 2.13 0.00 0.00 52.55 54.70 3h2o s ASP 184 Cb -0.12 -0.82 1.43 0.00 -1.45 0.00 0.00 42.92 41.95 3h2o s ASP 184 CO 0.02 -0.05 2.07 1.55 0.13 0.00 0.00 175.17 178.89 3h2o h PRO 185 N 7.59 0.00 -3.18 4.34 0.13 -1.84 -0.65 132.00 138.39 3h2o h PRO 185 Ca -0.31 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.79 3h2o h PRO 185 Cb 1.16 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.31 3h2o h PRO 185 CO 0.44 0.12 -0.11 0.41 -0.23 0.00 0.00 178.00 178.63 3h2o n GLY 186 N -0.74 0.60 3.77 1.56 0.00 -1.26 -4.17 105.19 104.95 3h2o n GLY 186 Ca -0.02 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 3h2o n GLY 186 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h2o s ILE 187 N -3.05 2.20 -0.44 -0.61 -1.09 -1.26 -2.24 121.20 114.71 3h2o s ILE 187 Ca 0.05 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 3h2o s ILE 187 Cb -0.01 -3.12 0.00 0.00 -1.58 0.00 0.00 42.46 37.76 3h2o s ILE 187 CO 0.10 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.45 3h2o n GLY 188 N 0.57 0.57 3.31 6.18 0.00 -1.26 -5.01 105.19 109.54 3h2o n GLY 188 Ca 0.03 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 3h2o n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h2o s PHE 189 N -1.72 3.02 -1.41 1.61 0.40 -0.95 -4.63 117.98 114.29 3h2o s PHE 189 Ca 0.00 -1.02 0.00 0.00 -0.60 0.00 0.00 56.93 55.31 3h2o s PHE 189 Cb 0.00 -2.13 0.00 0.00 0.51 0.00 0.00 43.02 41.40 3h2o s PHE 189 CO 0.00 -0.57 0.00 0.00 0.70 0.00 0.00 175.22 175.35 3h2o n ALA 190 N 4.80 -0.20 -3.52 5.36 0.00 -1.26 -4.73 120.51 120.95 3h2o n ALA 190 Ca -0.17 0.22 -0.24 0.00 0.00 0.00 0.00 53.44 53.25 3h2o n ALA 190 Cb 0.50 -1.57 -0.17 0.00 0.00 0.00 0.00 19.45 18.21 3h2o n ALA 190 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3h2o s LYS 191 N -3.06 1.51 0.84 0.00 1.02 -1.26 -4.58 119.74 114.22 3h2o s LYS 191 Ca 0.00 -0.34 -0.12 0.00 0.02 0.00 0.00 55.97 55.53 3h2o s LYS 191 Cb 0.00 -1.30 0.10 0.00 -0.52 0.00 0.00 37.83 36.11 3h2o s LYS 191 CO 0.00 -0.01 1.19 0.95 -0.92 0.00 0.00 175.35 176.56 3h2o s THR 192 N 0.77 2.01 -2.00 2.17 -4.23 -1.26 -4.70 115.64 108.41 3h2o s THR 192 Ca -0.13 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.39 3h2o s THR 192 Cb -0.15 -2.29 0.02 0.00 1.34 0.00 0.00 72.50 71.42 3h2o s THR 192 CO 0.02 -0.00 0.29 -0.81 -0.54 0.00 0.00 174.62 173.58 3h2o n PRO 193 N -3.60 0.23 -0.04 3.99 -0.04 -1.26 -1.33 135.00 132.95 3h2o n PRO 193 Ca 0.13 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.54 3h2o n PRO 193 Cb 0.51 -1.04 -0.04 0.00 -0.04 0.00 0.00 33.50 32.89 3h2o n PRO 193 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3h2o n GLU 194 N -0.54 0.19 -0.21 0.54 4.71 -1.26 -3.54 120.64 120.53 3h2o n GLU 194 Ca 0.00 0.04 -0.02 0.00 -0.01 0.00 0.00 57.16 57.18 3h2o n GLU 194 Cb 0.00 -1.14 0.05 0.00 -1.01 0.00 0.00 31.44 29.34 3h2o n GLU 194 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 3h2o h GLN 195 N -0.01 -0.06 -0.89 3.49 4.20 -1.66 -1.67 115.11 118.52 3h2o h GLN 195 Ca -0.17 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.63 3h2o h GLN 195 Cb 1.26 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.98 3h2o h GLN 195 CO -0.03 -0.04 0.53 -0.91 -0.67 0.00 0.00 178.83 177.71 3h2o h ASN 196 N -0.06 0.80 0.10 1.46 2.35 -1.37 -1.15 115.58 117.70 3h2o h ASN 196 Ca 0.29 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 56.07 3h2o h ASN 196 Cb 0.51 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3h2o h ASN 196 CO -0.68 0.46 -0.05 -0.07 -1.65 0.00 0.00 177.43 175.45 3h2o h LEU 197 N 0.91 -0.11 -0.93 1.61 3.38 -1.52 -2.29 115.31 116.36 3h2o h LEU 197 Ca 0.42 -0.20 0.12 0.00 0.09 0.00 0.00 57.88 58.31 3h2o h LEU 197 Cb 0.33 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.03 3h2o h LEU 197 CO -0.23 0.14 0.55 -0.08 0.09 0.00 0.00 178.44 178.92 3h2o h GLU 198 N -0.37 0.84 0.00 1.13 4.81 -1.05 0.35 114.58 120.29 3h2o h GLU 198 Ca -0.01 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 3h2o h GLU 198 Cb 0.31 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3h2o h GLU 198 CO 0.02 0.56 -0.27 0.00 -0.73 0.00 0.00 179.01 178.59 3h2o h ALA 199 N 1.52 1.25 0.00 2.92 0.00 -1.09 -0.71 119.26 123.15 3h2o h ALA 199 Ca 0.47 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.91 3h2o h ALA 199 Cb 0.50 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3h2o h ALA 199 CO -0.28 0.34 -1.12 0.52 0.00 0.00 0.00 179.25 178.71 3h2o h MET 200 N 0.00 0.00 0.00 0.00 2.86 0.14 -2.66 114.93 115.27 3h2o h MET 200 Ca -0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 3h2o h MET 200 Cb 0.60 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 3h2o h MET 200 CO 0.04 0.82 -0.39 -0.09 1.06 0.00 0.00 176.91 178.35 3h2o h ARG 201 N 0.00 0.00 -1.13 1.72 2.43 0.30 -3.25 114.38 114.45 3h2o h ARG 201 Ca -0.07 0.00 -0.43 0.00 -0.81 0.00 0.00 59.98 58.66 3h2o h ARG 201 Cb 1.78 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 30.92 3h2o h ARG 201 CO 0.11 0.39 -1.03 0.09 -1.51 0.00 0.00 179.97 178.02 3h2o n ASN 202 N -3.77 2.62 -0.23 -3.80 3.02 -0.38 -4.75 115.26 107.97 3h2o n ASN 202 Ca -0.01 -3.03 -0.07 0.00 -0.03 0.00 0.00 54.58 51.44 3h2o n ASN 202 Cb 0.46 -0.50 0.07 0.00 -0.61 0.00 0.00 39.78 39.20 3h2o n ASN 202 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3h2o h LEU 203 N 2.82 1.03 -2.32 3.41 3.38 -1.51 -3.34 115.31 118.78 3h2o h LEU 203 Ca 0.04 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.80 3h2o h LEU 203 Cb 1.11 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 3h2o h LEU 203 CO 0.60 1.01 0.04 1.05 0.09 0.00 0.00 178.44 181.24 3h2o h GLU 204 N 1.02 0.00 0.00 1.13 9.09 -1.86 0.44 114.58 124.41 3h2o h GLU 204 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.62 3h2o h GLU 204 Cb 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 3h2o h GLU 204 CO 0.01 0.00 0.00 1.04 0.05 0.00 0.00 179.01 180.11 3h2o n GLN 205 N -3.99 0.18 0.18 1.06 6.02 -1.25 -0.76 117.38 118.82 3h2o n GLN 205 Ca -0.02 0.14 0.14 0.00 -0.01 0.00 0.00 57.00 57.25 3h2o n GLN 205 Cb 0.14 -1.50 0.57 0.00 1.02 0.00 0.00 30.24 30.46 3h2o n GLN 205 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3h2o h LEU 206 N 0.00 0.00 0.11 1.08 3.38 -0.35 -3.31 115.31 116.22 3h2o h LEU 206 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 3h2o h LEU 206 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3h2o h LEU 206 CO 0.00 0.00 -1.30 0.78 0.09 0.00 0.00 178.44 178.01 3h2o h ASN 207 N 0.00 0.36 -1.24 -0.43 4.21 -1.12 -3.09 115.58 114.26 3h2o h ASN 207 Ca 0.00 -0.42 0.40 0.00 1.21 0.00 0.00 56.30 57.49 3h2o h ASN 207 Cb 0.40 -0.12 -0.12 0.00 -1.12 0.00 0.00 38.32 37.36 3h2o h ASN 207 CO 0.00 1.33 0.79 -0.37 -1.29 0.00 0.00 177.43 177.90 3h2o h VAL 208 N 0.06 0.20 0.00 2.81 -1.51 -1.71 0.28 116.25 116.38 3h2o h VAL 208 Ca -0.15 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 3h2o h VAL 208 Cb 1.96 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 3h2o h VAL 208 CO 0.18 0.03 0.00 0.18 -1.23 0.00 0.00 177.57 176.73 3h2o n LEU 209 N -4.72 0.00 -3.01 4.19 4.77 -1.17 -4.91 117.00 112.16 3h2o n LEU 209 Ca 0.35 0.13 -0.17 0.00 -0.03 0.00 0.00 56.01 56.30 3h2o n LEU 209 Cb 1.31 -0.13 0.07 0.00 -2.33 0.00 0.00 43.42 42.33 3h2o n LEU 209 CO 0.20 -0.07 0.14 0.61 -1.33 0.00 0.00 177.39 176.95 3h2o n GLY 210 N 0.02 -0.24 3.35 -0.72 0.00 0.99 -5.05 105.19 103.54 3h2o n GLY 210 Ca 0.10 0.04 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 3h2o n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h2o s TYR 211 N -3.28 -0.34 0.35 1.61 1.51 -1.26 -5.09 117.35 110.85 3h2o s TYR 211 Ca 0.22 0.47 -0.28 0.00 -1.01 0.00 0.00 57.07 56.47 3h2o s TYR 211 Cb -0.10 0.24 -0.12 0.00 -0.11 0.00 0.00 41.96 41.87 3h2o s TYR 211 CO 0.60 -0.53 1.45 -2.30 -1.11 0.00 0.00 175.55 173.66 3h2o n PRO 212 N 0.82 2.52 -4.55 -1.71 -0.02 -1.26 -4.75 135.00 126.06 3h2o n PRO 212 Ca -0.20 0.89 -0.34 0.00 -2.02 0.00 0.00 63.50 61.83 3h2o n PRO 212 Cb 0.58 -2.58 -0.11 0.00 -0.02 0.00 0.00 33.50 31.36 3h2o n PRO 212 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h2o s VAL 213 N -0.93 3.78 -0.06 -1.45 1.01 -1.26 0.53 120.40 122.03 3h2o s VAL 213 Ca 0.56 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 62.15 3h2o s VAL 213 Cb -0.51 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 3h2o s VAL 213 CO 0.61 0.57 -0.20 -0.22 0.00 0.00 0.00 175.10 175.86 3h2o s LEU 214 N -0.44 2.40 -0.11 3.92 0.20 0.23 0.13 118.68 125.02 3h2o s LEU 214 Ca 0.07 -0.37 0.02 0.00 0.69 0.00 0.00 54.13 54.54 3h2o s LEU 214 Cb -0.12 -1.47 0.01 0.00 -0.43 0.00 0.00 46.19 44.19 3h2o s LEU 214 CO 0.02 0.28 -0.15 -0.22 -0.29 0.00 0.00 176.35 175.99 3h2o s LEU 215 N -0.36 1.72 -0.36 -0.68 2.96 -0.43 -4.21 118.68 117.33 3h2o s LEU 215 Ca 0.03 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 3h2o s LEU 215 Cb -0.12 -1.08 0.09 0.00 0.50 0.00 0.00 46.19 45.57 3h2o s LEU 215 CO 0.02 0.02 0.10 -0.83 -1.32 0.00 0.00 176.35 174.34 3h2o s GLY 216 N 0.96 1.89 0.00 7.98 0.00 -1.26 -1.82 107.32 115.07 3h2o s GLY 216 Ca -0.07 -2.25 0.00 0.00 0.00 0.00 0.00 44.72 42.40 3h2o s GLY 216 CO -0.01 0.89 0.59 -1.30 0.00 0.00 0.00 173.10 173.27 3h2o n THR 217 N 4.55 0.35 -1.81 0.90 -2.24 -1.25 -4.47 114.28 110.29 3h2o n THR 217 Ca -0.05 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 60.88 3h2o n THR 217 Cb 0.42 0.98 -0.02 0.00 -2.10 0.00 0.00 70.33 69.62 3h2o n THR 217 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3h2o s SER 218 N -0.35 6.43 -1.28 3.42 0.15 -1.25 -2.57 113.70 118.25 3h2o s SER 218 Ca 0.00 2.87 -0.10 0.00 0.70 0.00 0.00 55.95 59.42 3h2o s SER 218 Cb 0.00 -2.62 0.09 0.00 -1.71 0.00 0.00 66.02 61.77 3h2o s SER 218 CO 0.00 -0.89 0.49 0.54 1.20 0.00 0.00 173.24 174.58 3h2o n ARG 219 N 2.67 -3.15 -3.14 5.44 1.74 -1.26 -4.92 116.66 114.03 3h2o n ARG 219 Ca 0.10 0.42 -0.32 0.00 -0.77 0.00 0.00 57.85 57.27 3h2o n ARG 219 Cb 0.37 -5.10 -0.06 0.00 -1.02 0.00 0.00 32.46 26.65 3h2o n ARG 219 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3h2o s LYS 220 N -6.10 3.95 0.65 5.56 1.02 -1.06 -4.90 119.74 118.87 3h2o s LYS 220 Ca 0.43 0.60 0.41 0.00 0.02 0.00 0.00 55.97 57.43 3h2o s LYS 220 Cb -0.23 -2.45 2.22 0.00 -0.52 0.00 0.00 37.83 36.84 3h2o s LYS 220 CO 0.53 0.15 2.25 0.66 -0.92 0.00 0.00 175.35 178.02 3h2o h SER 221 N 2.18 0.00 0.04 2.83 4.64 -1.92 -0.73 113.55 120.58 3h2o h SER 221 Ca -0.48 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.66 3h2o h SER 221 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3h2o h SER 221 CO 0.66 0.00 -0.63 2.19 -0.87 0.00 0.00 176.83 178.17 3h2o h PHE 222 N 0.00 0.75 -0.68 4.77 -5.15 -1.94 -1.13 116.94 113.56 3h2o h PHE 222 Ca 0.00 -0.29 0.15 0.00 -0.20 0.00 0.00 57.97 57.62 3h2o h PHE 222 Cb 0.12 -0.13 -0.11 0.00 0.22 0.00 0.00 35.95 36.05 3h2o h PHE 222 CO 0.00 1.06 0.09 0.82 -2.00 0.00 0.00 178.31 178.27 3h2o h ILE 223 N 0.42 0.49 0.00 0.88 2.04 -1.51 0.11 117.51 119.94 3h2o h ILE 223 Ca -0.01 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3h2o h ILE 223 Cb 1.21 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3h2o h ILE 223 CO 0.12 0.03 0.00 0.61 0.00 0.00 0.00 178.15 178.91 3h2o n GLY 224 N -1.36 -1.41 0.11 5.37 0.00 -0.79 -1.22 105.19 105.88 3h2o n GLY 224 Ca 0.12 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 3h2o n GLY 224 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3h2o h HIS 225 N 0.00 0.46 0.00 1.61 6.17 0.34 -2.06 115.15 121.68 3h2o h HIS 225 Ca 0.00 -0.34 -0.00 0.00 0.71 0.00 0.00 60.37 60.74 3h2o h HIS 225 Cb 0.48 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 30.40 3h2o h HIS 225 CO 0.00 1.30 -0.00 0.28 0.71 0.00 0.00 177.93 180.22 3h2o h VAL 226 N 0.07 0.00 0.00 5.26 2.07 -0.37 -3.38 116.25 119.90 3h2o h VAL 226 Ca -0.16 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 3h2o h VAL 226 Cb 1.98 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3h2o h VAL 226 CO 0.19 0.00 -0.14 -0.07 0.02 0.00 0.00 177.57 177.57 3h2o h LEU 227 N -0.06 0.00 -1.46 2.57 3.38 -1.36 -3.47 115.31 114.91 3h2o h LEU 227 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3h2o h LEU 227 Cb 0.00 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.82 3h2o h LEU 227 CO 0.00 0.14 -0.31 -0.67 0.09 0.00 0.00 178.44 177.69 3h2o n ASP 228 N -3.44 -2.82 -3.84 -0.43 2.03 -0.77 -5.03 116.55 102.25 3h2o n ASP 228 Ca -0.01 -0.25 -0.12 0.00 0.52 0.00 0.00 54.79 54.93 3h2o n ASP 228 Cb 0.31 -2.47 -0.13 0.00 -0.72 0.00 0.00 41.12 38.12 3h2o n ASP 228 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3h2o s LEU 229 N -3.80 1.61 0.00 -2.67 1.02 -1.25 -5.05 118.68 108.54 3h2o s LEU 229 Ca 0.11 0.19 0.00 0.00 0.02 0.00 0.00 54.13 54.45 3h2o s LEU 229 Cb -0.05 0.31 0.13 0.00 0.02 0.00 0.00 46.19 46.60 3h2o s LEU 229 CO 0.31 -0.04 0.91 -0.81 0.02 0.00 0.00 176.35 176.74 3h2o n PRO 230 N 3.09 -0.03 -0.35 1.29 -0.04 -1.26 -4.29 135.00 133.41 3h2o n PRO 230 Ca -0.13 -2.49 0.28 0.00 -0.04 0.00 0.00 63.50 61.12 3h2o n PRO 230 Cb 0.59 -0.59 0.53 0.00 -0.04 0.00 0.00 33.50 33.99 3h2o n PRO 230 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 3h2o h VAL 231 N -0.56 0.21 -0.34 0.52 3.04 -1.98 0.39 116.25 117.52 3h2o h VAL 231 Ca -0.30 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 3h2o h VAL 231 Cb 1.12 -0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.37 3h2o h VAL 231 CO 0.33 0.04 0.00 -1.84 -1.01 0.00 0.00 177.57 175.08 3h2o n GLU 232 N -5.03 1.84 -2.54 4.17 0.00 -1.26 -3.50 120.64 114.32 3h2o n GLU 232 Ca 0.34 -1.24 -0.11 0.00 0.00 0.00 0.00 57.16 56.15 3h2o n GLU 232 Cb 1.13 -1.29 0.03 0.00 0.00 0.00 0.00 31.44 31.31 3h2o n GLU 232 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h2o n GLU 233 N 0.50 2.35 -0.56 3.44 -0.58 0.14 -4.85 120.64 121.07 3h2o n GLU 233 Ca 0.12 -3.75 0.05 0.00 -0.42 0.00 0.00 57.16 53.15 3h2o n GLU 233 Cb 0.31 -1.81 0.09 0.00 -0.57 0.00 0.00 31.44 29.46 3h2o n GLU 233 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3h2o n ARG 234 N -0.54 0.76 -0.04 3.49 1.74 -1.23 -4.68 116.66 116.17 3h2o n ARG 234 Ca 0.21 -2.19 -0.14 0.00 -0.77 0.00 0.00 57.85 54.95 3h2o n ARG 234 Cb 0.84 -0.98 -0.09 0.00 -1.02 0.00 0.00 32.46 31.21 3h2o n ARG 234 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h2o h LEU 235 N 0.39 0.29 -0.81 0.55 5.85 -1.89 -2.52 115.31 117.18 3h2o h LEU 235 Ca -0.04 -0.61 -0.02 0.00 0.84 0.00 0.00 57.88 58.05 3h2o h LEU 235 Cb 1.27 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 3h2o h LEU 235 CO 0.02 0.84 0.43 -0.33 -0.34 0.00 0.00 178.44 179.06 3h2o h GLU 236 N -0.26 1.14 -0.04 1.25 3.07 -2.00 0.20 114.58 117.94 3h2o h GLU 236 Ca -0.01 -0.14 0.01 0.00 -0.50 0.00 0.00 59.36 58.72 3h2o h GLU 236 Cb 0.82 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 3h2o h GLU 236 CO 0.04 0.85 -0.03 0.78 -1.40 0.00 0.00 179.01 179.25 3h2o h GLY 237 N 1.13 0.01 0.97 -3.84 0.00 -1.89 -1.36 103.07 98.09 3h2o h GLY 237 Ca 0.28 0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.70 3h2o h GLY 237 CO -0.04 -0.04 0.55 -0.84 0.00 0.00 0.00 176.54 176.17 3h2o h THR 238 N -0.03 1.09 -0.10 4.70 2.02 -0.93 -1.87 112.91 117.77 3h2o h THR 238 Ca 0.03 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 66.88 3h2o h THR 238 Cb 0.07 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.48 3h2o h THR 238 CO -0.06 0.18 -0.17 1.23 0.37 0.00 0.00 175.52 177.07 3h2o h GLY 239 N 0.98 -1.61 0.47 2.16 0.00 0.15 0.31 103.07 105.54 3h2o h GLY 239 Ca 0.35 0.77 0.05 0.00 0.00 0.00 0.00 47.33 48.50 3h2o h GLY 239 CO -0.12 -0.54 -0.08 0.00 0.00 0.00 0.00 176.54 175.81 3h2o h ALA 240 N -0.96 0.14 -0.45 3.60 0.00 -0.94 0.47 119.26 121.12 3h2o h ALA 240 Ca 0.02 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.08 3h2o h ALA 240 Cb 0.19 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3h2o h ALA 240 CO -0.17 -0.49 0.14 1.79 0.00 0.00 0.00 179.25 180.52 3h2o h THR 241 N -0.03 0.83 -0.46 0.00 1.35 -1.18 0.27 112.91 113.70 3h2o h THR 241 Ca 0.12 -0.10 -0.04 0.00 -0.55 0.00 0.00 66.41 65.84 3h2o h THR 241 Cb 0.21 0.51 -0.02 0.00 -1.73 0.00 0.00 68.15 67.12 3h2o h THR 241 CO -0.27 0.06 0.14 0.58 -0.25 0.00 0.00 175.52 175.78 3h2o h VAL 242 N 0.30 1.22 0.04 6.82 2.07 0.42 0.20 116.25 127.33 3h2o h VAL 242 Ca 0.21 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 3h2o h VAL 242 Cb 0.22 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3h2o h VAL 242 CO -0.23 0.27 -0.02 0.00 0.02 0.00 0.00 177.57 177.61 3h2o h LEU 244 N -0.09 0.73 -0.69 0.00 5.85 -0.53 -1.53 115.31 119.05 3h2o h LEU 244 Ca -0.01 -0.28 0.18 0.00 0.84 0.00 0.00 57.88 58.61 3h2o h LEU 244 Cb 0.08 -0.20 -0.13 0.00 0.37 0.00 0.00 40.66 40.79 3h2o h LEU 244 CO 0.01 0.83 -0.03 0.61 -0.34 0.00 0.00 178.44 179.52 3h2o n GLY 245 N -0.45 -0.99 0.08 3.75 0.00 0.70 -2.32 105.19 105.97 3h2o n GLY 245 Ca 0.00 0.69 -0.08 0.00 0.00 0.00 0.00 46.02 46.63 3h2o n GLY 245 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3h2o n ILE 246 N -4.97 1.57 1.15 -0.61 5.41 -0.48 -3.22 119.36 118.21 3h2o n ILE 246 Ca 0.15 -0.79 0.14 0.00 1.00 0.00 0.00 62.75 63.25 3h2o n ILE 246 Cb 0.48 -1.00 0.62 0.00 -0.71 0.00 0.00 39.64 39.03 3h2o n ILE 246 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 3h2o n GLU 247 N -3.02 0.17 -0.24 0.38 -0.00 -0.98 -0.44 120.64 116.51 3h2o n GLU 247 Ca -0.17 -0.02 0.10 0.00 -0.00 0.00 0.00 57.16 57.07 3h2o n GLU 247 Cb 1.04 -1.50 0.26 0.00 -0.00 0.00 0.00 31.44 31.25 3h2o n GLU 247 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3h2o n LYS 248 N -1.39 2.30 -1.98 3.44 5.02 -1.10 -4.96 118.16 119.50 3h2o n LYS 248 Ca 0.09 -2.00 0.00 0.00 -2.02 0.00 0.00 58.31 54.38 3h2o n LYS 248 Cb 0.31 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 3h2o n LYS 248 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h2o n GLY 249 N 1.41 0.73 3.94 0.72 0.00 0.41 -4.45 105.19 107.95 3h2o n GLY 249 Ca 0.19 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 3h2o n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2o n GLU 251 N -2.09 0.47 -4.34 0.00 4.71 0.34 -4.84 120.64 114.89 3h2o n GLU 251 Ca -0.00 0.16 -0.28 0.00 -0.01 0.00 0.00 57.16 57.03 3h2o n GLU 251 Cb 0.57 -1.31 -0.11 0.00 -1.01 0.00 0.00 31.44 29.57 3h2o n GLU 251 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3h2o s PHE 252 N -2.39 2.47 -0.01 -0.32 0.40 -0.90 -0.62 117.98 116.61 3h2o s PHE 252 Ca -0.28 -0.29 0.05 0.00 -0.60 0.00 0.00 56.93 55.81 3h2o s PHE 252 Cb 0.09 -1.28 -0.01 0.00 0.51 0.00 0.00 43.02 42.33 3h2o s PHE 252 CO 0.41 0.42 -0.17 0.14 0.70 0.00 0.00 175.22 176.72 3h2o s VAL 253 N -1.33 1.33 -0.42 -0.44 -7.23 -1.13 -1.31 120.40 109.87 3h2o s VAL 253 Ca 0.19 -0.72 -0.05 0.00 -1.81 0.00 0.00 61.98 59.59 3h2o s VAL 253 Cb -0.10 -1.11 0.11 0.00 0.56 0.00 0.00 36.38 35.84 3h2o s VAL 253 CO 0.10 0.38 0.24 -0.60 -0.31 0.00 0.00 175.10 174.91 3h2o s ARG 254 N -0.37 2.16 0.29 4.82 3.52 -0.76 -1.44 118.95 127.16 3h2o s ARG 254 Ca 0.06 -1.78 0.08 0.00 -0.13 0.00 0.00 55.73 53.96 3h2o s ARG 254 Cb -0.07 -3.67 -0.06 0.00 -1.56 0.00 0.00 34.95 29.59 3h2o s ARG 254 CO -0.01 -1.09 -0.10 0.14 -0.81 0.00 0.00 175.30 173.43 3h2o s VAL 255 N 1.21 1.94 -0.19 7.11 -7.23 -0.68 -3.93 120.40 118.64 3h2o s VAL 255 Ca 0.07 -2.20 -0.13 0.00 -1.81 0.00 0.00 61.98 57.91 3h2o s VAL 255 Cb -0.24 -2.42 -0.21 0.00 0.56 0.00 0.00 36.38 34.08 3h2o s VAL 255 CO -0.03 -0.33 0.16 1.41 -0.31 0.00 0.00 175.10 176.00 3h2o n HIS 256 N -0.61 0.89 -1.64 2.82 8.25 -1.26 -0.98 115.22 122.69 3h2o n HIS 256 Ca -0.06 0.28 -0.40 0.00 -0.26 0.00 0.00 57.72 57.28 3h2o n HIS 256 Cb 0.62 -1.10 -0.02 0.00 1.12 0.00 0.00 29.99 30.62 3h2o n HIS 256 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3h2o n ASP 257 N -3.94 7.35 -0.18 0.41 9.92 -1.26 -4.72 116.55 124.13 3h2o n ASP 257 Ca -0.36 -2.80 -0.04 0.00 -0.53 0.00 0.00 54.79 51.06 3h2o n ASP 257 Cb 0.88 -1.53 0.03 0.00 -0.64 0.00 0.00 41.12 39.85 3h2o n ASP 257 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3h2o h VAL 258 N 3.17 0.27 -0.50 2.53 2.07 -1.93 -0.93 116.25 120.92 3h2o h VAL 258 Ca 0.74 0.00 0.05 0.00 0.82 0.00 0.00 66.70 68.31 3h2o h VAL 258 Cb 0.38 0.27 -0.08 0.00 -1.52 0.00 0.00 31.29 30.34 3h2o h VAL 258 CO 1.72 0.00 -0.53 0.50 0.02 0.00 0.00 177.57 179.28 3h2o h LYS 259 N -0.12 -0.28 -0.24 1.57 3.64 -1.89 -0.38 116.57 118.87 3h2o h LYS 259 Ca 0.25 0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.51 3h2o h LYS 259 Cb 0.51 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3h2o h LYS 259 CO -0.63 -0.19 -0.39 1.05 -2.27 0.00 0.00 179.45 177.02 3h2o h GLU 260 N -0.29 0.69 -0.05 1.90 9.09 -1.62 -2.91 114.58 121.39 3h2o h GLU 260 Ca 0.09 -0.42 -0.19 0.00 0.05 0.00 0.00 59.36 58.89 3h2o h GLU 260 Cb 0.52 0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.66 3h2o h GLU 260 CO -0.63 1.04 -0.77 0.52 0.05 0.00 0.00 179.01 179.23 3h2o h MET 261 N 0.41 0.34 -0.68 1.06 2.86 -1.17 -2.59 114.93 115.17 3h2o h MET 261 Ca 0.02 -0.30 0.05 0.00 -2.06 0.00 0.00 59.70 57.41 3h2o h MET 261 Cb 0.99 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.68 3h2o h MET 261 CO 0.09 0.96 0.45 1.03 1.06 0.00 0.00 176.91 180.49 3h2o h SER 262 N 0.22 0.64 1.62 1.22 0.87 -0.99 0.71 113.55 117.85 3h2o h SER 262 Ca -0.04 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 3h2o h SER 262 Cb 1.35 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 63.17 3h2o h SER 262 CO 0.13 0.43 -0.12 0.03 -0.53 0.00 0.00 176.83 176.76 3h2o h ARG 263 N 0.74 0.00 0.11 2.24 3.08 -1.31 -2.82 114.38 116.42 3h2o h ARG 263 Ca 0.28 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.05 3h2o h ARG 263 Cb 0.19 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.26 3h2o h ARG 263 CO -0.09 0.12 -1.21 0.52 -1.07 0.00 0.00 179.97 178.25 3h2o h MET 264 N 0.00 0.47 0.14 0.04 2.86 0.50 -2.99 114.93 115.95 3h2o h MET 264 Ca -0.00 -0.66 -0.00 0.00 -2.06 0.00 0.00 59.70 56.97 3h2o h MET 264 Cb 0.96 0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 3h2o h MET 264 CO 0.02 1.29 -0.14 0.00 1.06 0.00 0.00 176.91 179.13 3h2o h ALA 265 N 0.45 -0.86 -1.07 6.32 0.00 0.12 -2.49 119.26 121.73 3h2o h ALA 265 Ca -0.16 -0.05 0.31 0.00 0.00 0.00 0.00 54.91 55.01 3h2o h ALA 265 Cb 1.89 0.39 -0.12 0.00 0.00 0.00 0.00 17.79 19.95 3h2o h ALA 265 CO 0.22 -0.87 0.65 -0.22 0.00 0.00 0.00 179.25 179.03 3h2o h LYS 266 N -0.28 0.34 0.38 0.00 3.64 -1.64 0.29 116.57 119.30 3h2o h LYS 266 Ca -0.02 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3h2o h LYS 266 Cb 0.24 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3h2o h LYS 266 CO -0.02 0.23 -0.18 1.98 -2.27 0.00 0.00 179.45 179.18 3h2o h MET 267 N 0.35 -0.50 -0.51 1.90 4.05 -1.30 -1.29 114.93 117.64 3h2o h MET 267 Ca 0.69 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 60.25 3h2o h MET 267 Cb 1.70 0.11 -0.09 0.00 -0.80 0.00 0.00 31.60 32.52 3h2o h MET 267 CO -0.46 -0.19 -0.04 0.52 0.23 0.00 0.00 176.91 176.97 3h2o h MET 268 N -0.81 0.07 -1.04 0.39 2.86 -0.93 -0.14 114.93 115.33 3h2o h MET 268 Ca -0.05 -0.00 0.30 0.00 -2.06 0.00 0.00 59.70 57.88 3h2o h MET 268 Cb 0.53 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.13 3h2o h MET 268 CO 0.09 0.05 0.74 -0.44 1.06 0.00 0.00 176.91 178.41 3h2o h ASP 269 N 0.08 0.05 0.61 1.22 3.45 -0.21 0.62 116.42 122.24 3h2o h ASP 269 Ca 0.26 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.73 3h2o h ASP 269 Cb 0.40 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.17 3h2o h ASP 269 CO -0.46 0.01 -0.53 0.00 -1.57 0.00 0.00 179.24 176.68 3h2o n ALA 270 N -2.72 3.32 -0.05 3.45 0.00 -0.12 -0.21 120.51 124.19 3h2o n ALA 270 Ca 0.22 -0.31 -0.03 0.00 0.00 0.00 0.00 53.44 53.32 3h2o n ALA 270 Cb 1.08 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 19.37 3h2o n ALA 270 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3h2o n MET 271 N -1.68 0.32 0.00 0.00 2.81 0.21 -3.72 117.12 115.06 3h2o n MET 271 Ca 0.05 0.45 0.00 0.00 -1.81 0.00 0.00 57.70 56.39 3h2o n MET 271 Cb 0.37 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 3h2o n MET 271 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3h2o n ILE 272 N -3.93 1.26 -2.44 2.02 -5.35 -0.93 -4.86 119.36 105.14 3h2o n ILE 272 Ca -0.05 0.43 -0.07 0.00 -0.27 0.00 0.00 62.75 62.79 3h2o n ILE 272 Cb 0.19 -1.43 0.04 0.00 -1.74 0.00 0.00 39.64 36.69 3h2o n ILE 272 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h2o n GLY 273 N -1.30 -0.00 0.43 3.28 0.00 -1.21 -5.09 105.19 101.32 3h2o n GLY 273 Ca 0.00 -0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3h2o n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49