#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ini h HIS 5 N 0.00 0.90 0.00 1.09 6.17 -2.04 -2.22 115.15 119.05 1ini h HIS 5 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1ini h HIS 5 Cb 0.00 -0.30 0.00 0.00 2.52 0.00 0.00 27.41 29.63 1ini h HIS 5 CO 0.00 0.49 -0.02 1.28 0.71 0.00 0.00 177.93 180.40 1ini n LEU 6 N -4.47 0.05 -4.75 0.26 4.77 -1.26 -4.81 117.00 106.79 1ini n LEU 6 Ca 0.11 0.49 -0.41 0.00 -0.03 0.00 0.00 56.01 56.16 1ini n LEU 6 Cb 0.18 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 40.77 1ini n LEU 6 CO 0.34 -0.00 1.22 -1.81 -1.33 0.00 0.00 177.39 175.81 1ini s ASP 7 N -3.07 6.42 -0.03 -1.43 1.11 -0.84 -4.81 116.67 114.02 1ini s ASP 7 Ca 0.14 2.90 0.05 0.00 0.18 0.00 0.00 52.55 55.82 1ini s ASP 7 Cb 0.19 -2.63 -0.01 0.00 1.07 0.00 0.00 42.92 41.54 1ini s ASP 7 CO 0.54 -0.88 -0.19 -0.69 1.18 0.00 0.00 175.17 175.13 1ini s VAL 8 N 0.02 1.54 -0.09 -1.27 1.01 -0.21 -4.19 120.40 117.22 1ini s VAL 8 Ca 0.63 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1ini s VAL 8 Cb -0.47 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 1ini s VAL 8 CO 0.47 0.44 -0.04 0.00 0.00 0.00 0.00 175.10 175.96 1ini s ALA 10 N -0.55 3.26 -0.10 0.00 0.00 0.54 -1.17 121.76 123.74 1ini s ALA 10 Ca 0.09 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 51.07 1ini s ALA 10 Cb -0.12 -1.28 0.01 0.00 0.00 0.00 0.00 23.12 21.73 1ini s ALA 10 CO 0.02 0.66 -0.19 0.08 0.00 0.00 0.00 175.76 176.33 1ini s VAL 11 N -1.15 1.75 -0.29 0.00 1.01 0.13 0.55 120.40 122.40 1ini s VAL 11 Ca 0.21 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1ini s VAL 11 Cb -0.12 -1.55 0.08 0.00 0.00 0.00 0.00 36.38 34.80 1ini s VAL 11 CO 0.12 0.49 -0.03 -0.69 0.00 0.00 0.00 175.10 175.00 1ini s VAL 12 N 0.63 2.09 -0.21 2.92 1.01 0.88 -1.51 120.40 126.21 1ini s VAL 12 Ca -0.13 -1.88 -0.29 0.00 0.00 0.00 0.00 61.98 59.67 1ini s VAL 12 Cb -0.16 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 1ini s VAL 12 CO 0.04 -0.31 1.39 -2.16 0.00 0.00 0.00 175.10 174.06 1ini s PRO 13 N 1.07 4.04 -0.13 2.72 0.04 -1.25 -1.63 135.00 139.87 1ini s PRO 13 Ca 0.01 1.59 0.24 0.00 0.04 0.00 0.00 61.00 62.88 1ini s PRO 13 Cb -0.19 -3.88 0.46 0.00 0.04 0.00 0.00 34.50 30.93 1ini s PRO 13 CO -0.07 -0.96 1.14 0.00 0.04 0.00 0.00 177.00 177.15 1ini n ALA 14 N 7.34 2.48 0.19 8.56 0.00 0.37 -2.84 120.51 136.61 1ini n ALA 14 Ca 0.15 -2.52 0.11 0.00 0.00 0.00 0.00 53.44 51.19 1ini n ALA 14 Cb 0.45 -0.80 0.22 0.00 0.00 0.00 0.00 19.45 19.31 1ini n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ini n ALA 15 N -0.05 2.40 -1.77 0.00 0.00 -0.95 -4.34 120.51 115.81 1ini n ALA 15 Ca 0.06 -1.03 -0.40 0.00 0.00 0.00 0.00 53.44 52.07 1ini n ALA 15 Cb 0.98 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 1ini n ALA 15 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ini s GLY 16 N -1.36 2.97 0.16 0.00 0.00 -1.26 -4.38 107.32 103.44 1ini s GLY 16 Ca 0.38 1.05 0.24 0.00 0.00 0.00 0.00 44.72 46.39 1ini s GLY 16 CO 0.30 1.64 1.42 0.74 0.00 0.00 0.00 173.10 177.19 1ini h PHE 17 N 3.22 0.00 -6.18 1.90 0.05 -1.98 -3.47 116.94 110.48 1ini h PHE 17 Ca -0.48 0.00 -0.43 0.00 3.82 0.00 0.00 57.97 60.88 1ini h PHE 17 Cb 1.23 0.00 0.06 0.00 2.00 0.00 0.00 35.95 39.23 1ini h PHE 17 CO 0.56 0.00 -0.89 0.41 -0.18 0.00 0.00 178.31 178.21 1ini n GLY 18 N 1.31 -0.62 2.90 -1.45 0.00 -1.26 -4.70 105.19 101.38 1ini n GLY 18 Ca 0.04 0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 1ini n GLY 18 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ini n ARG 19 N -4.19 3.39 0.00 1.61 0.63 -1.26 -1.77 116.66 115.07 1ini n ARG 19 Ca -0.20 -3.31 0.00 0.00 -0.92 0.00 0.00 57.85 53.42 1ini n ARG 19 Cb 0.64 -3.05 0.00 0.00 0.45 0.00 0.00 32.46 30.51 1ini n ARG 19 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1ini n ARG 20 N 4.72 0.00 -0.00 -0.14 1.74 -1.26 -4.82 116.66 116.89 1ini n ARG 20 Ca 0.43 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.58 1ini n ARG 20 Cb 0.38 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.72 1ini n ARG 20 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1ini n MET 21 N 0.00 1.33 0.00 5.56 2.81 -0.73 -4.09 117.12 122.00 1ini n MET 21 Ca 0.00 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 1ini n MET 21 Cb 0.38 -1.25 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 1ini n MET 21 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ini n GLN 22 N -1.70 0.00 -1.78 0.03 0.00 -1.26 -4.58 117.38 108.09 1ini n GLN 22 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.00 56.61 1ini n GLN 22 Cb 0.30 0.00 0.04 0.00 0.00 0.00 0.00 30.24 30.58 1ini n GLN 22 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1ini s THR 23 N 0.00 2.07 -1.95 -0.39 -4.23 -1.26 -4.86 115.64 105.02 1ini s THR 23 Ca 0.00 0.05 0.20 0.00 -1.18 0.00 0.00 61.69 60.76 1ini s THR 23 Cb 0.00 -3.02 0.56 0.00 1.34 0.00 0.00 72.50 71.37 1ini s THR 23 CO 0.00 -0.00 1.60 1.21 -0.54 0.00 0.00 174.62 176.89 1ini n GLU 24 N -1.12 0.60 -3.67 3.99 2.13 -1.26 -4.57 120.64 116.74 1ini n GLU 24 Ca 0.11 0.01 -0.38 0.00 0.66 0.00 0.00 57.16 57.56 1ini n GLU 24 Cb 0.45 -1.50 -0.12 0.00 0.27 0.00 0.00 31.44 30.55 1ini n GLU 24 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ini n PRO 26 N 4.98 1.17 -0.34 0.00 -0.02 -1.26 -4.86 135.00 134.67 1ini n PRO 26 Ca -0.14 0.42 0.03 0.00 -2.02 0.00 0.00 63.50 61.79 1ini n PRO 26 Cb 0.50 -1.88 0.20 0.00 -0.02 0.00 0.00 33.50 32.30 1ini n PRO 26 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1ini h LYS 27 N 1.48 1.08 0.00 -0.52 2.10 -1.87 -1.47 116.57 117.37 1ini h LYS 27 Ca -0.42 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1ini h LYS 27 Cb 1.35 -0.24 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1ini h LYS 27 CO 0.57 0.72 0.00 -0.56 -2.00 0.00 0.00 179.45 178.17 1ini h GLN 28 N 1.12 0.00 -0.10 0.07 -0.00 -1.90 -2.33 115.11 111.97 1ini h GLN 28 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.07 1ini h GLN 28 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.67 1ini h GLN 28 CO -0.17 0.00 0.00 0.66 -0.00 0.00 0.00 178.83 179.32 1ini n TYR 29 N -2.94 0.11 -1.33 0.06 4.02 -0.56 -0.81 117.16 115.71 1ini n TYR 29 Ca -0.01 -0.05 -0.31 0.00 -0.01 0.00 0.00 57.90 57.52 1ini n TYR 29 Cb 0.20 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.60 1ini n TYR 29 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1ini s LEU 30 N -1.88 3.03 -0.00 7.72 1.43 -0.88 -4.76 118.68 123.35 1ini s LEU 30 Ca 0.32 1.77 0.05 0.00 -1.03 0.00 0.00 54.13 55.24 1ini s LEU 30 Cb 0.21 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.90 1ini s LEU 30 CO 0.31 -1.92 -0.16 -0.44 0.23 0.00 0.00 176.35 174.37 1ini s SER 31 N -3.49 3.89 -0.15 2.29 0.01 -1.26 -1.42 113.70 113.57 1ini s SER 31 Ca 0.60 -0.31 -0.01 0.00 1.31 0.00 0.00 55.95 57.54 1ini s SER 31 Cb -0.16 -0.72 0.04 0.00 0.21 0.00 0.00 66.02 65.39 1ini s SER 31 CO 0.56 0.30 -0.03 -0.63 0.41 0.00 0.00 173.24 173.85 1ini s ILE 32 N -0.83 0.89 0.00 1.44 -1.09 0.05 -4.97 121.20 116.69 1ini s ILE 32 Ca 0.13 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 1ini s ILE 32 Cb -0.11 -1.10 0.00 0.00 -1.58 0.00 0.00 42.46 39.67 1ini s ILE 32 CO 0.03 0.11 0.00 0.61 -1.23 0.00 0.00 174.94 174.46 1ini n GLY 33 N 4.95 1.47 2.19 6.18 0.00 -1.26 -2.86 105.19 115.86 1ini n GLY 33 Ca -0.11 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 1ini n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ini n ASN 34 N 3.15 5.76 -3.55 1.61 6.94 -1.26 -4.95 115.26 122.97 1ini n ASN 34 Ca 0.00 -3.57 -0.13 0.00 -0.02 0.00 0.00 54.58 50.85 1ini n ASN 34 Cb 0.00 -0.91 -0.04 0.00 -2.36 0.00 0.00 39.78 36.47 1ini n ASN 34 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1ini s GLN 35 N -3.27 1.10 0.61 -3.83 -0.21 -1.14 -5.14 119.66 107.78 1ini s GLN 35 Ca 0.56 -0.34 -0.10 0.00 0.02 0.00 0.00 55.36 55.49 1ini s GLN 35 Cb 0.45 0.50 -0.04 0.00 1.00 0.00 0.00 33.01 34.92 1ini s GLN 35 CO 0.04 -0.42 1.01 0.95 -2.12 0.00 0.00 175.29 174.75 1ini s THR 36 N -2.89 4.72 0.22 -0.19 -4.23 -1.26 -0.77 115.64 111.24 1ini s THR 36 Ca -0.03 0.82 -0.07 0.00 -1.18 0.00 0.00 61.69 61.22 1ini s THR 36 Cb -0.00 -3.87 0.17 0.00 1.34 0.00 0.00 72.50 70.14 1ini s THR 36 CO -0.05 -1.12 1.81 0.40 -0.54 0.00 0.00 174.62 175.12 1ini h ILE 37 N -0.27 0.96 -0.32 2.99 1.08 -0.89 -1.33 117.51 119.73 1ini h ILE 37 Ca -0.44 -0.26 0.05 0.00 -0.39 0.00 0.00 64.86 63.82 1ini h ILE 37 Cb 1.19 0.14 -0.04 0.00 -3.07 0.00 0.00 36.82 35.04 1ini h ILE 37 CO 0.62 0.14 0.06 0.25 -0.69 0.00 0.00 178.15 178.53 1ini h LEU 38 N 0.75 0.00 -1.02 1.44 5.85 -1.15 -1.14 115.31 120.04 1ini h LEU 38 Ca 0.34 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 59.07 1ini h LEU 38 Cb 0.23 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1ini h LEU 38 CO -0.20 0.04 0.27 -0.33 -0.34 0.00 0.00 178.44 177.88 1ini h GLU 39 N 0.17 0.97 0.01 1.25 5.08 -1.63 -0.64 114.58 119.79 1ini h GLU 39 Ca 0.15 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ini h GLU 39 Cb 0.16 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1ini h GLU 39 CO -0.20 0.79 -0.01 0.45 -1.00 0.00 0.00 179.01 179.04 1ini h HIS 40 N 0.96 -0.03 -0.20 4.33 3.86 -0.67 0.47 115.15 123.86 1ini h HIS 40 Ca 0.23 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.45 1ini h HIS 40 Cb 0.17 0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 1ini h HIS 40 CO 0.01 -0.02 0.09 0.77 0.86 0.00 0.00 177.93 179.64 1ini h SER 41 N -0.03 0.13 -0.61 2.45 0.02 -0.83 -2.28 113.55 112.39 1ini h SER 41 Ca 0.00 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 1ini h SER 41 Cb 0.03 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1ini h SER 41 CO -0.01 0.10 0.11 0.58 -1.14 0.00 0.00 176.83 176.48 1ini h VAL 42 N 0.20 1.26 0.00 2.27 2.07 -1.01 -2.71 116.25 118.33 1ini h VAL 42 Ca 0.08 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.58 1ini h VAL 42 Cb 0.03 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1ini h VAL 42 CO -0.06 0.36 -0.21 0.45 0.02 0.00 0.00 177.57 178.13 1ini h HIS 43 N 0.91 0.00 -0.65 1.57 3.86 -0.74 -1.03 115.15 119.07 1ini h HIS 43 Ca 0.19 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.32 1ini h HIS 43 Cb 0.41 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.85 1ini h HIS 43 CO 0.03 0.21 0.09 0.00 0.86 0.00 0.00 177.93 179.12 1ini h ALA 44 N 1.79 0.92 -0.17 2.45 0.00 -1.09 -1.01 119.26 122.15 1ini h ALA 44 Ca -0.00 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.46 1ini h ALA 44 Cb 0.41 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1ini h ALA 44 CO 0.03 0.66 -0.55 -0.07 0.00 0.00 0.00 179.25 179.32 1ini h LEU 45 N 1.01 0.77 -1.82 0.00 3.38 -1.33 -3.18 115.31 114.15 1ini h LEU 45 Ca 0.20 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1ini h LEU 45 Cb 0.45 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1ini h LEU 45 CO 0.02 1.24 0.00 -0.07 0.09 0.00 0.00 178.44 179.71 1ini h LEU 46 N 0.35 0.00 -2.04 1.67 3.38 -0.98 -2.60 115.31 115.09 1ini h LEU 46 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1ini h LEU 46 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1ini h LEU 46 CO 0.12 0.00 -0.08 0.00 0.09 0.00 0.00 178.44 178.57 1ini h ALA 47 N 2.02 1.21 -2.96 1.53 0.00 -1.16 -3.41 119.26 116.47 1ini h ALA 47 Ca 0.00 -0.07 -0.58 0.00 0.00 0.00 0.00 54.91 54.26 1ini h ALA 47 Cb 0.36 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.05 1ini h ALA 47 CO 0.00 0.10 -0.20 -1.58 0.00 0.00 0.00 179.25 177.57 1ini s HIS 48 N -4.13 3.48 0.43 0.00 5.65 -0.98 -4.98 115.29 114.77 1ini s HIS 48 Ca -0.03 0.77 0.20 0.00 0.25 0.00 0.00 55.06 56.26 1ini s HIS 48 Cb 0.13 -2.49 1.14 0.00 -1.18 0.00 0.00 32.58 30.18 1ini s HIS 48 CO 0.55 0.16 1.84 -1.35 -0.65 0.00 0.00 174.74 175.30 1ini h PRO 49 N 6.79 0.34 0.00 2.88 0.11 -1.88 -2.06 132.00 138.18 1ini h PRO 49 Ca -0.40 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 1ini h PRO 49 Cb 1.17 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1ini h PRO 49 CO 0.75 0.22 -0.25 0.00 -0.21 0.00 0.00 178.00 178.51 1ini h ARG 50 N 0.35 0.00 -6.33 1.05 3.08 -1.93 -3.40 114.38 107.20 1ini h ARG 50 Ca 0.49 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.99 1ini h ARG 50 Cb 1.31 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.28 1ini h ARG 50 CO -0.17 0.25 1.11 0.08 -1.07 0.00 0.00 179.97 180.17 1ini s VAL 51 N -3.83 3.73 -0.02 2.04 1.01 -0.78 -1.04 120.40 121.52 1ini s VAL 51 Ca -0.01 0.30 0.12 0.00 0.00 0.00 0.00 61.98 62.39 1ini s VAL 51 Cb 0.12 -4.90 -0.17 0.00 0.00 0.00 0.00 36.38 31.42 1ini s VAL 51 CO 0.64 -1.84 0.98 0.11 0.00 0.00 0.00 175.10 175.00 1ini h LYS 52 N 10.14 0.00 -3.48 2.72 1.79 -1.56 -3.46 116.57 122.72 1ini h LYS 52 Ca -0.23 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.09 1ini h LYS 52 Cb 1.05 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.49 1ini h LYS 52 CO 1.29 0.62 -0.49 0.50 -1.08 0.00 0.00 179.45 180.29 1ini s ARG 53 N -2.73 0.45 -0.09 3.15 3.52 -1.24 -4.76 118.95 117.25 1ini s ARG 53 Ca -0.01 -0.32 -0.00 0.00 -0.13 0.00 0.00 55.73 55.27 1ini s ARG 53 Cb 0.09 0.19 0.02 0.00 -1.56 0.00 0.00 34.95 33.69 1ini s ARG 53 CO 0.81 -0.10 -0.06 0.08 -0.81 0.00 0.00 175.30 175.21 1ini s VAL 54 N -1.20 0.86 -0.26 7.11 1.01 -0.11 -0.34 120.40 127.48 1ini s VAL 54 Ca -0.13 -0.21 -0.10 0.00 0.00 0.00 0.00 61.98 61.55 1ini s VAL 54 Cb -0.07 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1ini s VAL 54 CO 0.01 0.33 0.14 -0.69 0.00 0.00 0.00 175.10 174.90 1ini s VAL 55 N 1.58 4.98 -0.20 2.92 1.01 0.19 -1.23 120.40 129.64 1ini s VAL 55 Ca 0.01 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 1ini s VAL 55 Cb -0.13 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 1ini s VAL 55 CO -0.06 0.30 0.01 -0.63 0.00 0.00 0.00 175.10 174.73 1ini s ILE 56 N 1.56 4.09 -0.23 2.22 1.01 0.23 -0.08 121.20 130.00 1ini s ILE 56 Ca 0.07 -0.27 -0.12 0.00 0.00 0.00 0.00 60.65 60.33 1ini s ILE 56 Cb -0.15 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 1ini s ILE 56 CO 0.07 0.43 0.23 0.00 0.00 0.00 0.00 174.94 175.67 1ini s ALA 57 N 0.94 3.60 0.36 9.38 0.00 -0.64 -1.38 121.76 134.01 1ini s ALA 57 Ca 0.02 -0.78 0.05 0.00 0.00 0.00 0.00 51.96 51.25 1ini s ALA 57 Cb -0.14 -2.42 -0.07 0.00 0.00 0.00 0.00 23.12 20.49 1ini s ALA 57 CO 0.02 -0.23 0.04 0.96 0.00 0.00 0.00 175.76 176.56 1ini s ILE 58 N 1.13 1.45 0.33 0.00 -4.36 -0.36 -0.48 121.20 118.92 1ini s ILE 58 Ca 0.11 -2.00 -0.27 0.00 -0.26 0.00 0.00 60.65 58.23 1ini s ILE 58 Cb -0.14 -2.84 -0.09 0.00 1.25 0.00 0.00 42.46 40.64 1ini s ILE 58 CO 0.05 0.00 1.04 -0.55 0.24 0.00 0.00 174.94 175.72 1ini s SER 59 N -3.58 7.11 0.53 4.36 0.15 -1.26 0.94 113.70 121.95 1ini s SER 59 Ca 0.35 2.07 0.24 0.00 0.70 0.00 0.00 55.95 59.30 1ini s SER 59 Cb 0.09 -2.60 1.39 0.00 -1.71 0.00 0.00 66.02 63.19 1ini s SER 59 CO 0.16 -0.24 2.03 -0.65 1.20 0.00 0.00 173.24 175.73 1ini h PRO 60 N 3.19 0.00 -0.46 5.44 0.11 -1.94 0.24 132.00 138.58 1ini h PRO 60 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ini h PRO 60 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ini h PRO 60 CO 0.65 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.85 1ini n GLY 61 N -1.61 1.12 3.64 -0.55 0.00 -1.26 -4.88 105.19 101.65 1ini n GLY 61 Ca 0.07 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 1ini n GLY 61 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ini s ASP 62 N -0.99 6.78 0.00 1.61 -1.08 0.83 -4.88 116.67 118.94 1ini s ASP 62 Ca 0.30 1.45 0.04 0.00 -0.52 0.00 0.00 52.55 53.82 1ini s ASP 62 Cb 0.16 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 39.10 1ini s ASP 62 CO 0.20 -0.95 0.54 -1.54 0.52 0.00 0.00 175.17 173.95 1ini n SER 63 N 7.21 1.13 0.09 -0.34 3.41 -1.26 -4.62 113.62 119.24 1ini n SER 63 Ca 0.15 -1.06 0.10 0.00 -0.26 0.00 0.00 58.87 57.79 1ini n SER 63 Cb 0.46 0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.56 1ini n SER 63 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1ini n ARG 64 N -0.00 0.61 -0.02 4.33 0.63 -1.26 -4.22 116.66 116.72 1ini n ARG 64 Ca 0.02 0.12 -0.10 0.00 -0.92 0.00 0.00 57.85 56.97 1ini n ARG 64 Cb 0.09 -1.81 -0.04 0.00 0.45 0.00 0.00 32.46 31.14 1ini n ARG 64 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 1ini h PHE 65 N 0.00 0.15 0.00 -0.14 3.57 -1.98 -1.97 116.94 116.58 1ini h PHE 65 Ca -0.02 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1ini h PHE 65 Cb 1.06 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.75 1ini h PHE 65 CO 0.00 0.09 0.00 0.00 -2.23 0.00 0.00 178.31 176.18 1ini n ALA 66 N -2.15 1.02 0.33 2.41 0.00 -1.26 -0.89 120.51 119.97 1ini n ALA 66 Ca -0.04 0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.63 1ini n ALA 66 Cb 0.04 -1.19 0.27 0.00 0.00 0.00 0.00 19.45 18.56 1ini n ALA 66 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ini n GLN 67 N -1.96 2.36 -3.98 0.00 1.13 -0.74 -4.86 117.38 109.33 1ini n GLN 67 Ca -0.01 -2.08 -0.27 0.00 -1.94 0.00 0.00 57.00 52.70 1ini n GLN 67 Cb 0.02 -1.48 -0.04 0.00 0.11 0.00 0.00 30.24 28.85 1ini n GLN 67 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1ini s LEU 68 N -1.29 4.19 0.59 1.08 1.43 -0.07 -5.00 118.68 119.62 1ini s LEU 68 Ca 0.39 0.10 0.30 0.00 -1.03 0.00 0.00 54.13 53.90 1ini s LEU 68 Cb 0.21 -2.78 1.85 0.00 0.03 0.00 0.00 46.19 45.50 1ini s LEU 68 CO 0.29 0.08 2.26 -0.65 0.23 0.00 0.00 176.35 178.56 1ini h PRO 69 N 2.39 0.00 0.00 1.29 0.11 -1.91 -1.69 132.00 132.19 1ini h PRO 69 Ca -0.48 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1ini h PRO 69 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1ini h PRO 69 CO 0.68 0.00 -0.21 -0.07 -0.21 0.00 0.00 178.00 178.19 1ini h LEU 70 N 0.00 0.00 -1.33 2.35 3.38 -1.94 -3.04 115.31 114.73 1ini h LEU 70 Ca 0.00 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.18 1ini h LEU 70 Cb 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.68 1ini h LEU 70 CO -0.00 0.21 0.61 0.00 0.09 0.00 0.00 178.44 179.35 1ini h ALA 71 N 1.79 2.04 -0.59 1.53 0.00 -1.51 -2.02 119.26 120.50 1ini h ALA 71 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ini h ALA 71 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ini h ALA 71 CO 0.03 -0.36 0.00 0.09 0.00 0.00 0.00 179.25 179.01 1ini n ASN 72 N -4.60 3.57 -4.70 0.00 5.03 -1.15 -5.00 115.26 108.42 1ini n ASN 72 Ca 0.21 -2.00 -0.42 0.00 0.87 0.00 0.00 54.58 53.24 1ini n ASN 72 Cb 0.67 -0.39 -0.03 0.00 -1.02 0.00 0.00 39.78 39.01 1ini n ASN 72 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 1ini s HIS 73 N -1.00 2.93 0.67 3.10 2.46 -0.76 -4.92 115.29 117.77 1ini s HIS 73 Ca 0.39 0.78 0.43 0.00 0.47 0.00 0.00 55.06 57.13 1ini s HIS 73 Cb 0.20 -3.73 2.36 0.00 -0.13 0.00 0.00 32.58 31.28 1ini s HIS 73 CO 0.27 -2.70 2.33 -1.00 -2.47 0.00 0.00 174.74 171.16 1ini h PRO 74 N 7.49 0.00 -0.02 2.88 0.13 -1.94 -1.56 132.00 138.98 1ini h PRO 74 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1ini h PRO 74 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ini h PRO 74 CO 0.89 0.00 -0.28 1.04 -0.23 0.00 0.00 178.00 179.43 1ini n GLN 75 N -3.06 1.51 -4.01 0.86 6.02 -1.26 -4.93 117.38 112.52 1ini n GLN 75 Ca -0.03 -1.19 -0.35 0.00 -0.01 0.00 0.00 57.00 55.42 1ini n GLN 75 Cb 0.10 -1.48 -0.09 0.00 1.02 0.00 0.00 30.24 29.80 1ini n GLN 75 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1ini s ILE 76 N -2.31 4.89 -0.02 5.09 -1.09 -0.59 -0.93 121.20 126.24 1ini s ILE 76 Ca 0.23 -0.00 0.08 0.00 -2.23 0.00 0.00 60.65 58.73 1ini s ILE 76 Cb 0.19 -3.18 -0.02 0.00 -1.58 0.00 0.00 42.46 37.87 1ini s ILE 76 CO 0.47 0.50 -0.25 -0.89 -1.23 0.00 0.00 174.94 173.54 1ini s THR 77 N 0.00 1.99 -0.08 2.92 2.01 -0.37 -4.81 115.64 117.30 1ini s THR 77 Ca 0.07 -1.07 0.03 0.00 0.31 0.00 0.00 61.69 61.03 1ini s THR 77 Cb -0.12 -1.65 -0.01 0.00 0.01 0.00 0.00 72.50 70.72 1ini s THR 77 CO 0.01 0.56 -0.18 0.54 -0.69 0.00 0.00 174.62 174.86 1ini s VAL 78 N -0.54 2.64 0.19 3.82 0.11 -1.26 -0.60 120.40 124.76 1ini s VAL 78 Ca 0.08 -0.84 0.01 0.00 -2.93 0.00 0.00 61.98 58.30 1ini s VAL 78 Cb -0.10 -2.04 -0.05 0.00 -1.53 0.00 0.00 36.38 32.67 1ini s VAL 78 CO -0.00 0.56 0.05 0.68 -3.33 0.00 0.00 175.10 173.06 1ini s VAL 79 N -0.10 0.47 0.14 2.04 -7.23 -0.48 -4.96 120.40 110.28 1ini s VAL 79 Ca -0.04 -1.98 -0.22 0.00 -1.81 0.00 0.00 61.98 57.94 1ini s VAL 79 Cb -0.14 -2.30 -0.08 0.00 0.56 0.00 0.00 36.38 34.42 1ini s VAL 79 CO 0.04 -0.28 0.69 -1.81 -0.31 0.00 0.00 175.10 173.43 1ini s ASP 80 N -3.19 7.20 0.73 4.85 1.01 -1.26 -1.22 116.67 124.79 1ini s ASP 80 Ca 0.30 1.46 -0.01 0.00 0.71 0.00 0.00 52.55 55.01 1ini s ASP 80 Cb 0.07 -2.43 0.02 0.00 1.01 0.00 0.00 42.92 41.59 1ini s ASP 80 CO 0.07 0.20 0.12 0.61 0.21 0.00 0.00 175.17 176.38 1ini n GLY 81 N 1.45 -0.28 0.00 0.21 0.00 0.27 -4.71 105.19 102.12 1ini n GLY 81 Ca -0.07 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1ini n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ini n GLY 82 N 4.16 5.50 0.22 -0.02 0.00 -1.26 -4.82 105.19 108.96 1ini n GLY 82 Ca 0.02 -2.06 -0.08 0.00 0.00 0.00 0.00 46.02 43.90 1ini n GLY 82 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ini h ASP 83 N 0.00 0.63 -1.66 1.61 3.32 -1.97 -3.42 116.42 114.93 1ini h ASP 83 Ca 0.00 -0.11 -0.60 0.00 0.02 0.00 0.00 57.03 56.34 1ini h ASP 83 Cb 0.00 -0.16 -0.11 0.00 0.22 0.00 0.00 39.33 39.28 1ini h ASP 83 CO 0.00 0.57 -0.56 -1.61 -1.72 0.00 0.00 179.24 175.92 1ini s GLU 84 N -5.76 2.08 0.15 3.56 0.41 -1.26 -5.03 118.70 112.85 1ini s GLU 84 Ca -0.13 -1.97 -0.17 0.00 -0.41 0.00 0.00 54.97 52.29 1ini s GLU 84 Cb 0.11 -1.80 0.06 0.00 -1.78 0.00 0.00 34.13 30.72 1ini s GLU 84 CO 0.76 -0.06 1.71 -0.09 -0.49 0.00 0.00 175.26 177.09 1ini h ARG 85 N 1.63 0.12 -0.70 1.61 2.43 -1.92 -1.35 114.38 116.20 1ini h ARG 85 Ca -0.43 -0.01 0.15 0.00 -0.81 0.00 0.00 59.98 58.88 1ini h ARG 85 Cb 1.25 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.73 1ini h ARG 85 CO 0.75 0.08 0.47 0.00 -1.51 0.00 0.00 179.97 179.77 1ini h ALA 86 N 1.27 2.19 -0.17 2.80 0.00 -1.95 0.24 119.26 123.65 1ini h ALA 86 Ca 0.16 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1ini h ALA 86 Cb 0.20 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ini h ALA 86 CO -0.24 -0.38 -0.55 -0.44 0.00 0.00 0.00 179.25 177.64 1ini h ASP 87 N 0.33 0.77 -0.70 0.00 3.32 -1.63 -1.79 116.42 116.72 1ini h ASP 87 Ca 0.34 -0.60 -0.07 0.00 0.02 0.00 0.00 57.03 56.72 1ini h ASP 87 Cb 0.87 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 1ini h ASP 87 CO -0.09 1.24 0.16 0.28 -1.72 0.00 0.00 179.24 179.11 1ini h SER 88 N 0.35 1.08 -0.72 6.45 0.02 -0.58 -1.89 113.55 118.27 1ini h SER 88 Ca -0.02 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.63 1ini h SER 88 Cb 1.18 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.40 1ini h SER 88 CO 0.12 1.04 0.21 0.58 -1.14 0.00 0.00 176.83 177.64 1ini h VAL 89 N 1.07 1.26 -0.65 2.27 2.07 -0.96 -1.82 116.25 119.49 1ini h VAL 89 Ca 0.22 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 1ini h VAL 89 Cb 0.39 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1ini h VAL 89 CO 0.00 0.36 0.19 0.25 0.02 0.00 0.00 177.57 178.39 1ini h LEU 90 N 1.08 0.96 -0.98 2.57 6.46 -1.01 -0.89 115.31 123.50 1ini h LEU 90 Ca 0.23 -0.22 -0.08 0.00 -0.12 0.00 0.00 57.88 57.70 1ini h LEU 90 Cb 0.32 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 1ini h LEU 90 CO -0.01 0.93 -0.08 0.00 -0.62 0.00 0.00 178.44 178.66 1ini h ALA 91 N 1.07 1.15 -0.52 1.25 0.00 -1.08 -2.15 119.26 118.98 1ini h ALA 91 Ca 0.21 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1ini h ALA 91 Cb 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1ini h ALA 91 CO -0.00 0.54 -0.14 0.78 0.00 0.00 0.00 179.25 180.42 1ini h GLY 92 N 0.95 1.09 1.61 0.00 0.00 -0.96 -3.06 103.07 102.70 1ini h GLY 92 Ca 0.11 -0.91 -0.02 0.00 0.00 0.00 0.00 47.33 46.51 1ini h GLY 92 CO 0.03 0.83 0.12 1.41 0.00 0.00 0.00 176.54 178.93 1ini h LEU 93 N 0.89 0.45 -1.23 3.11 3.38 -0.67 -2.17 115.31 119.07 1ini h LEU 93 Ca 0.13 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ini h LEU 93 Cb 0.71 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1ini h LEU 93 CO 0.05 0.43 0.00 0.11 0.09 0.00 0.00 178.44 179.13 1ini h LYS 94 N 0.50 0.00 -0.31 1.13 1.57 -1.29 -2.01 116.57 116.16 1ini h LYS 94 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1ini h LYS 94 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1ini h LYS 94 CO -0.01 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.87 1ini n ALA 95 N -1.90 2.48 -0.04 3.86 0.00 -0.83 -4.65 120.51 119.43 1ini n ALA 95 Ca 0.01 -1.58 -0.01 0.00 0.00 0.00 0.00 53.44 51.85 1ini n ALA 95 Cb 0.21 -0.53 0.25 0.00 0.00 0.00 0.00 19.45 19.38 1ini n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ini h ALA 96 N 1.91 1.29 0.00 0.00 0.00 -1.16 -3.49 119.26 117.80 1ini h ALA 96 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ini h ALA 96 Cb 1.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1ini h ALA 96 CO 0.08 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1ini n GLY 97 N -0.81 0.92 0.87 0.00 0.00 -1.26 -4.35 105.19 100.55 1ini n GLY 97 Ca 0.02 -1.67 0.10 0.00 0.00 0.00 0.00 46.02 44.47 1ini n GLY 97 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ini n ASP 98 N 0.00 2.89 -4.56 1.61 8.00 -1.26 -5.00 116.55 118.24 1ini n ASP 98 Ca 0.00 -1.86 -0.47 0.00 0.71 0.00 0.00 54.79 53.17 1ini n ASP 98 Cb 0.00 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 1ini n ASP 98 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ini n ALA 99 N 1.14 -0.86 0.09 2.24 0.00 -1.26 -4.88 120.51 116.97 1ini n ALA 99 Ca 0.14 0.42 -0.11 0.00 0.00 0.00 0.00 53.44 53.89 1ini n ALA 99 Cb 0.50 -1.95 -0.09 0.00 0.00 0.00 0.00 19.45 17.91 1ini n ALA 99 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1ini h GLN 100 N 2.27 0.17 -6.13 0.00 4.20 -1.88 -3.42 115.11 110.32 1ini h GLN 100 Ca -0.39 -0.26 -0.59 0.00 0.06 0.00 0.00 58.65 57.47 1ini h GLN 100 Cb 1.36 0.09 -0.26 0.00 0.30 0.00 0.00 27.48 28.96 1ini h GLN 100 CO 0.63 1.08 -0.85 -1.58 -0.67 0.00 0.00 178.83 177.44 1ini s TRP 101 N -2.84 1.86 0.05 2.96 0.52 -1.26 -0.81 118.94 119.42 1ini s TRP 101 Ca -0.02 -0.37 0.07 0.00 0.02 0.00 0.00 56.10 55.80 1ini s TRP 101 Cb 0.09 -1.12 -0.03 0.00 -1.15 0.00 0.00 33.47 31.26 1ini s TRP 101 CO 0.85 0.08 -0.21 0.54 0.02 0.00 0.00 176.95 178.23 1ini s VAL 102 N -0.76 1.69 -0.17 4.03 0.11 0.33 -2.35 120.40 123.28 1ini s VAL 102 Ca 0.08 -1.23 -0.01 0.00 -2.93 0.00 0.00 61.98 57.88 1ini s VAL 102 Cb -0.09 -1.47 -0.01 0.00 -1.53 0.00 0.00 36.38 33.28 1ini s VAL 102 CO 0.01 0.19 -0.11 -0.22 -3.33 0.00 0.00 175.10 171.65 1ini s LEU 103 N -1.24 2.72 -0.18 2.54 2.96 -0.31 -1.63 118.68 123.55 1ini s LEU 103 Ca 0.08 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.59 1ini s LEU 103 Cb -0.09 -1.64 -0.00 0.00 0.50 0.00 0.00 46.19 44.96 1ini s LEU 103 CO 0.02 0.08 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.31 1ini s VAL 104 N 0.86 2.79 -0.04 1.68 1.01 -0.12 0.19 120.40 126.77 1ini s VAL 104 Ca -0.03 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1ini s VAL 104 Cb -0.15 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.04 1ini s VAL 104 CO 0.00 0.49 -0.04 -2.28 0.00 0.00 0.00 175.10 173.27 1ini s HIS 105 N 1.08 0.73 0.26 5.22 5.04 -0.57 -1.36 115.29 125.69 1ini s HIS 105 Ca -0.00 -0.20 -0.31 0.00 -1.54 0.00 0.00 55.06 53.01 1ini s HIS 105 Cb -0.15 -0.65 -0.12 0.00 0.04 0.00 0.00 32.58 31.70 1ini s HIS 105 CO -0.03 -0.19 1.55 -0.25 -2.34 0.00 0.00 174.74 173.48 1ini n ASP 106 N 4.07 3.48 0.25 9.88 8.00 -1.26 -3.81 116.55 137.16 1ini n ASP 106 Ca -0.25 1.13 0.09 0.00 0.71 0.00 0.00 54.79 56.47 1ini n ASP 106 Cb 0.51 -1.53 0.63 0.00 -0.02 0.00 0.00 41.12 40.71 1ini n ASP 106 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ini h ALA 107 N 4.88 1.68 0.00 2.24 0.00 -1.85 -2.76 119.26 123.44 1ini h ALA 107 Ca -0.46 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1ini h ALA 107 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ini h ALA 107 CO 0.80 0.13 0.00 0.00 0.00 0.00 0.00 179.25 180.18 1ini n ALA 108 N -2.45 2.52 -3.82 0.00 0.00 -1.26 -4.26 120.51 111.23 1ini n ALA 108 Ca -0.03 -0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.06 1ini n ALA 108 Cb 0.18 -1.13 -0.10 0.00 0.00 0.00 0.00 19.45 18.40 1ini n ALA 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ini n ARG 109 N -0.63 2.08 0.00 0.00 1.74 -1.04 -0.52 116.66 118.29 1ini n ARG 109 Ca 0.06 -4.50 0.15 0.00 -0.77 0.00 0.00 57.85 52.79 1ini n ARG 109 Cb 0.03 -2.32 0.79 0.00 -1.02 0.00 0.00 32.46 29.93 1ini n ARG 109 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1ini n PRO 110 N 2.02 0.87 -0.44 5.56 -0.04 -1.26 -4.07 135.00 137.64 1ini n PRO 110 Ca 0.21 -0.15 0.08 0.00 -0.04 0.00 0.00 63.50 63.59 1ini n PRO 110 Cb 0.36 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.60 1ini n PRO 110 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ini n LEU 112 N 0.93 3.51 -4.90 0.00 7.94 -1.26 -4.66 117.00 118.57 1ini n LEU 112 Ca 0.20 1.05 -0.32 0.00 -1.11 0.00 0.00 56.01 55.83 1ini n LEU 112 Cb 0.67 -1.48 -0.05 0.00 0.53 0.00 0.00 43.42 43.10 1ini n LEU 112 CO 0.18 -0.07 -0.01 -1.00 -1.11 0.00 0.00 177.39 175.38 1ini s HIS 113 N 1.66 3.51 0.37 1.96 3.76 -1.26 -4.91 115.29 120.37 1ini s HIS 113 Ca 0.80 0.53 0.06 0.00 -0.15 0.00 0.00 55.06 56.30 1ini s HIS 113 Cb -0.60 -1.98 0.73 0.00 1.11 0.00 0.00 32.58 31.84 1ini s HIS 113 CO 0.38 0.49 1.97 1.96 -0.85 0.00 0.00 174.74 178.69 1ini h GLN 114 N 3.12 0.54 -0.62 1.40 1.08 -1.94 -2.37 115.11 116.32 1ini h GLN 114 Ca -0.47 -0.07 -0.09 0.00 -1.45 0.00 0.00 58.65 56.58 1ini h GLN 114 Cb 1.17 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.48 1ini h GLN 114 CO 0.72 0.46 0.05 0.38 -0.95 0.00 0.00 178.83 179.48 1ini h ASP 115 N 0.54 1.03 -0.32 1.46 2.03 -1.99 0.41 116.42 119.58 1ini h ASP 115 Ca 0.13 -0.28 -0.03 0.00 -0.73 0.00 0.00 57.03 56.12 1ini h ASP 115 Cb 0.12 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 38.33 1ini h ASP 115 CO -0.01 1.06 0.10 0.44 -1.03 0.00 0.00 179.24 179.80 1ini h ASP 116 N 0.97 0.47 -0.23 4.15 3.32 -1.90 -1.71 116.42 121.49 1ini h ASP 116 Ca 0.18 -0.20 0.02 0.00 0.02 0.00 0.00 57.03 57.05 1ini h ASP 116 Cb 0.50 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 1ini h ASP 116 CO 0.02 0.54 0.11 0.25 -1.72 0.00 0.00 179.24 178.44 1ini h LEU 117 N 0.36 0.16 -1.01 1.55 5.85 -1.11 -1.87 115.31 119.23 1ini h LEU 117 Ca 0.10 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1ini h LEU 117 Cb 0.24 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1ini h LEU 117 CO -0.00 0.12 0.37 0.00 -0.34 0.00 0.00 178.44 178.59 1ini h ALA 118 N 1.12 1.23 -0.37 1.25 0.00 -0.82 -0.85 119.26 120.81 1ini h ALA 118 Ca 0.10 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1ini h ALA 118 Cb 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1ini h ALA 118 CO -0.07 0.59 -0.13 0.00 0.00 0.00 0.00 179.25 179.64 1ini h ARG 119 N 1.07 0.67 -0.38 0.00 3.08 -0.95 -2.44 114.38 115.43 1ini h ARG 119 Ca 0.26 -0.22 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 1ini h ARG 119 Cb 0.09 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1ini h ARG 119 CO -0.04 0.78 -0.07 1.25 -1.07 0.00 0.00 179.97 180.82 1ini h LEU 120 N 0.61 0.73 -1.98 3.04 5.85 -0.86 -3.03 115.31 119.67 1ini h LEU 120 Ca 0.10 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 1ini h LEU 120 Cb 0.58 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1ini h LEU 120 CO 0.04 0.91 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.87 1ini h LEU 121 N 0.54 0.00 -2.28 2.25 3.38 -0.96 -2.15 115.31 116.08 1ini h LEU 121 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1ini h LEU 121 Cb 0.58 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1ini h LEU 121 CO 0.03 0.10 -0.05 0.00 0.09 0.00 0.00 178.44 178.62 1ini h ALA 122 N 1.90 1.28 -0.45 1.53 0.00 -1.31 -2.89 119.26 119.32 1ini h ALA 122 Ca -0.00 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 54.99 1ini h ALA 122 Cb 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1ini h ALA 122 CO 0.01 0.06 0.42 -0.07 0.00 0.00 0.00 179.25 179.67 1ini h LEU 123 N 0.00 0.00 -1.50 0.00 3.38 -1.52 -0.60 115.31 115.07 1ini h LEU 123 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ini h LEU 123 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1ini h LEU 123 CO 0.01 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.31 1ini h SER 124 N 0.00 0.00 -0.43 -0.43 4.64 -1.74 0.55 113.55 116.14 1ini h SER 124 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1ini h SER 124 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1ini h SER 124 CO -0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 1ini n GLU 125 N -2.61 2.61 0.00 4.77 -0.58 -0.23 -4.46 120.64 120.12 1ini n GLU 125 Ca -0.00 -2.18 0.00 0.00 -0.42 0.00 0.00 57.16 54.56 1ini n GLU 125 Cb 0.17 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 1ini n GLU 125 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1ini n THR 126 N 0.95 0.00 -4.11 2.62 -2.24 -0.70 -5.11 114.28 105.69 1ini n THR 126 Ca 0.16 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.81 1ini n THR 126 Cb 0.49 1.45 -0.11 0.00 -2.10 0.00 0.00 70.33 70.05 1ini n THR 126 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ini s SER 127 N 0.00 1.05 -0.01 3.42 0.15 0.18 -5.03 113.70 113.46 1ini s SER 127 Ca 0.00 -0.69 0.12 0.00 0.70 0.00 0.00 55.95 56.09 1ini s SER 127 Cb 0.00 0.04 -0.16 0.00 -1.71 0.00 0.00 66.02 64.19 1ini s SER 127 CO 0.00 -0.26 0.41 0.54 1.20 0.00 0.00 173.24 175.13 1ini n ARG 128 N 1.01 1.78 -0.02 5.44 5.12 -1.26 -4.65 116.66 124.09 1ini n ARG 128 Ca -0.20 -0.05 -0.00 0.00 -1.93 0.00 0.00 57.85 55.67 1ini n ARG 128 Cb 0.56 -1.18 -0.04 0.00 -1.16 0.00 0.00 32.46 30.64 1ini n ARG 128 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1ini n THR 129 N -1.58 0.22 0.00 0.55 -2.24 -1.26 -4.84 114.28 105.13 1ini n THR 129 Ca 0.00 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1ini n THR 129 Cb 0.25 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 1ini n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ini n GLY 130 N 2.46 -1.36 0.70 3.38 0.00 -1.26 -4.37 105.19 104.74 1ini n GLY 130 Ca -0.06 -2.10 -0.00 0.00 0.00 0.00 0.00 46.02 43.86 1ini n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ini n GLY 131 N 0.00 0.97 3.13 -0.02 0.00 -0.66 -1.18 105.19 107.43 1ini n GLY 131 Ca 0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 1ini n GLY 131 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ini s ILE 132 N -2.36 0.20 0.36 -0.61 -4.36 -0.28 -1.08 121.20 113.06 1ini s ILE 132 Ca 0.05 -1.61 -0.25 0.00 -0.26 0.00 0.00 60.65 58.58 1ini s ILE 132 Cb -0.00 -1.46 -0.10 0.00 1.25 0.00 0.00 42.46 42.15 1ini s ILE 132 CO 0.01 -0.89 0.97 -0.76 0.24 0.00 0.00 174.94 174.51 1ini s LEU 133 N -2.90 4.21 0.03 0.37 1.43 -1.10 -0.42 118.68 120.30 1ini s LEU 133 Ca 0.06 1.86 -0.24 0.00 -1.03 0.00 0.00 54.13 54.79 1ini s LEU 133 Cb 0.07 -4.16 0.06 0.00 0.03 0.00 0.00 46.19 42.19 1ini s LEU 133 CO -0.10 -0.23 0.55 0.00 0.23 0.00 0.00 176.35 176.80 1ini s ALA 134 N -1.73 -1.43 -0.06 4.21 0.00 0.30 -1.47 121.76 121.57 1ini s ALA 134 Ca 0.54 0.75 0.04 0.00 0.00 0.00 0.00 51.96 53.29 1ini s ALA 134 Cb -0.18 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1ini s ALA 134 CO 0.23 -0.48 -0.17 0.00 0.00 0.00 0.00 175.76 175.34 1ini s ALA 135 N -2.21 1.56 0.44 0.00 0.00 -0.45 -1.13 121.76 119.97 1ini s ALA 135 Ca -0.06 -0.65 -0.25 0.00 0.00 0.00 0.00 51.96 51.00 1ini s ALA 135 Cb -0.01 -0.59 -0.09 0.00 0.00 0.00 0.00 23.12 22.43 1ini s ALA 135 CO 0.00 0.22 1.30 -2.30 0.00 0.00 0.00 175.76 174.98 1ini n PRO 136 N 3.46 1.94 -2.61 0.00 -0.02 -1.26 -0.06 135.00 136.45 1ini n PRO 136 Ca -0.20 0.69 -0.41 0.00 -2.02 0.00 0.00 63.50 61.57 1ini n PRO 136 Cb 0.52 -2.43 -0.05 0.00 -0.02 0.00 0.00 33.50 31.53 1ini n PRO 136 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ini s VAL 137 N -1.21 3.98 -0.17 -1.45 1.01 -0.73 -4.78 120.40 117.05 1ini s VAL 137 Ca 0.62 1.80 -0.05 0.00 0.00 0.00 0.00 61.98 64.36 1ini s VAL 137 Cb -0.49 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 31.65 1ini s VAL 137 CO 0.57 0.35 -0.20 0.54 0.00 0.00 0.00 175.10 176.37 1ini n ARG 138 N 2.06 0.40 -1.68 2.72 1.74 -1.26 -4.89 116.66 115.74 1ini n ARG 138 Ca 0.01 0.14 -0.30 0.00 -0.77 0.00 0.00 57.85 56.92 1ini n ARG 138 Cb 0.47 -1.22 0.06 0.00 -1.02 0.00 0.00 32.46 30.74 1ini n ARG 138 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ini s ASP 139 N -6.18 5.21 0.29 0.55 1.01 -1.26 -5.00 116.67 111.29 1ini s ASP 139 Ca -0.24 1.37 -0.29 0.00 0.71 0.00 0.00 52.55 54.10 1ini s ASP 139 Cb 0.08 -2.21 -0.10 0.00 1.01 0.00 0.00 42.92 41.71 1ini s ASP 139 CO 0.35 -1.52 1.20 -0.89 0.21 0.00 0.00 175.17 174.52 1ini s THR 140 N -3.17 3.16 0.01 -1.27 2.01 -1.26 -4.82 115.64 110.30 1ini s THR 140 Ca 0.59 1.14 0.01 0.00 0.31 0.00 0.00 61.69 63.74 1ini s THR 140 Cb -0.13 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 1ini s THR 140 CO 0.54 0.26 0.03 -0.04 -0.69 0.00 0.00 174.62 174.72 1ini s MET 141 N -1.42 2.87 -0.03 4.92 -1.94 -1.25 -5.03 119.30 117.42 1ini s MET 141 Ca 0.48 -0.59 0.04 0.00 -1.71 0.00 0.00 55.69 53.91 1ini s MET 141 Cb -0.35 -2.73 -0.00 0.00 2.01 0.00 0.00 34.83 33.75 1ini s MET 141 CO 0.45 0.62 -0.16 0.15 -0.01 0.00 0.00 175.02 176.08 1ini s LYS 142 N -1.74 1.53 -0.22 2.03 -0.14 -1.26 -0.76 119.74 119.17 1ini s LYS 142 Ca 0.22 -0.56 -0.12 0.00 -1.36 0.00 0.00 55.97 54.15 1ini s LYS 142 Cb -0.12 -1.38 -0.05 0.00 -1.68 0.00 0.00 37.83 34.61 1ini s LYS 142 CO 0.13 0.26 0.24 0.50 -0.76 0.00 0.00 175.35 175.71 1ini s ARG 143 N -0.06 4.11 0.52 1.68 6.06 -0.49 -4.89 118.95 125.88 1ini s ARG 143 Ca -0.01 -0.11 -0.13 0.00 -2.50 0.00 0.00 55.73 52.98 1ini s ARG 143 Cb -0.10 -3.53 -0.06 0.00 0.06 0.00 0.00 34.95 31.32 1ini s ARG 143 CO 0.01 0.04 0.95 0.00 -2.50 0.00 0.00 175.30 173.80 1ini s ALA 144 N 1.10 3.15 0.35 6.12 0.00 -1.26 -0.30 121.76 130.92 1ini s ALA 144 Ca 0.11 -0.02 -0.26 0.00 0.00 0.00 0.00 51.96 51.79 1ini s ALA 144 Cb -0.14 -2.99 -0.09 0.00 0.00 0.00 0.00 23.12 19.90 1ini s ALA 144 CO 0.05 -0.34 1.09 -1.21 0.00 0.00 0.00 175.76 175.35 1ini s GLU 145 N -4.41 4.32 0.00 0.00 2.02 -0.52 -4.62 118.70 115.48 1ini s GLU 145 Ca 0.56 1.68 0.00 0.00 0.02 0.00 0.00 54.97 57.23 1ini s GLU 145 Cb -0.10 -2.81 0.00 0.00 0.10 0.00 0.00 34.13 31.32 1ini s GLU 145 CO 0.39 -0.04 0.42 -2.30 0.02 0.00 0.00 175.26 173.75 1ini n PRO 146 N 0.42 0.00 -2.25 0.39 -0.02 -1.26 -1.94 135.00 130.35 1ini n PRO 146 Ca 0.03 0.42 -0.31 0.00 -2.02 0.00 0.00 63.50 61.62 1ini n PRO 146 Cb 0.47 -0.63 0.02 0.00 -0.02 0.00 0.00 33.50 33.33 1ini n PRO 146 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ini n GLY 147 N -1.00 5.89 3.40 -1.23 0.00 -1.26 -5.00 105.19 106.00 1ini n GLY 147 Ca 0.00 -2.67 -0.11 0.00 0.00 0.00 0.00 46.02 43.24 1ini n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ini s LYS 148 N -3.71 1.23 -0.69 1.61 1.02 -0.82 -5.04 119.74 113.34 1ini s LYS 148 Ca 0.50 -0.60 -0.01 0.00 0.02 0.00 0.00 55.97 55.89 1ini s LYS 148 Cb 0.42 0.54 0.41 0.00 -0.52 0.00 0.00 37.83 38.68 1ini s LYS 148 CO -0.23 -0.52 1.88 0.09 -0.92 0.00 0.00 175.35 175.64 1ini n ASN 149 N -0.32 7.13 -4.41 2.83 5.03 -1.26 -3.91 115.26 120.34 1ini n ASN 149 Ca -0.16 -3.80 -0.27 0.00 0.87 0.00 0.00 54.58 51.22 1ini n ASN 149 Cb 0.64 -0.91 -0.12 0.00 -1.02 0.00 0.00 39.78 38.37 1ini n ASN 149 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ini s ALA 150 N -3.88 2.48 -0.06 5.41 0.00 -1.26 -5.01 121.76 119.43 1ini s ALA 150 Ca 0.57 -1.60 -0.30 0.00 0.00 0.00 0.00 51.96 50.63 1ini s ALA 150 Cb 0.46 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1ini s ALA 150 CO -0.19 0.44 1.22 0.42 0.00 0.00 0.00 175.76 177.65 1ini s ILE 151 N -1.56 4.22 -0.10 0.00 1.01 -1.26 -1.44 121.20 122.07 1ini s ILE 151 Ca 0.19 1.55 -0.05 0.00 0.00 0.00 0.00 60.65 62.34 1ini s ILE 151 Cb -0.08 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 1ini s ILE 151 CO 0.09 -0.01 0.14 0.00 0.00 0.00 0.00 174.94 175.16 1ini h ALA 152 N 7.52 -0.03 -2.79 9.38 0.00 -0.92 -3.45 119.26 128.97 1ini h ALA 152 Ca -0.34 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.60 1ini h ALA 152 Cb 1.16 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 1ini h ALA 152 CO 0.89 -0.03 0.31 -3.38 0.00 0.00 0.00 179.25 177.03 1ini s HIS 153 N -1.76 -0.20 0.19 0.00 0.00 -1.21 -5.04 115.29 107.28 1ini s HIS 153 Ca -0.03 -0.20 -0.22 0.00 -3.00 0.00 0.00 55.06 51.61 1ini s HIS 153 Cb -0.00 0.68 -0.08 0.00 -4.00 0.00 0.00 32.58 29.17 1ini s HIS 153 CO 0.11 -1.08 0.74 0.99 -1.00 0.00 0.00 174.74 174.49 1ini s THR 154 N -3.71 4.49 -0.28 -5.38 2.01 -1.26 -1.40 115.64 110.12 1ini s THR 154 Ca 0.11 1.47 -0.10 0.00 0.31 0.00 0.00 61.69 63.48 1ini s THR 154 Cb -0.04 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 1ini s THR 154 CO 0.04 0.37 0.15 -0.69 -0.69 0.00 0.00 174.62 173.79 1ini s VAL 155 N -1.34 4.86 -0.18 3.82 1.01 0.06 -4.87 120.40 123.76 1ini s VAL 155 Ca 0.39 -0.05 -0.35 0.00 0.00 0.00 0.00 61.98 61.97 1ini s VAL 155 Cb -0.20 -3.33 -0.11 0.00 0.00 0.00 0.00 36.38 32.74 1ini s VAL 155 CO 0.23 0.24 1.97 -0.67 0.00 0.00 0.00 175.10 176.87 1ini n ASP 156 N 5.00 3.02 0.13 3.32 2.03 -1.26 -3.84 116.55 124.95 1ini n ASP 156 Ca -0.15 0.79 0.12 0.00 0.52 0.00 0.00 54.79 56.08 1ini n ASP 156 Cb 0.51 -1.34 0.46 0.00 -0.72 0.00 0.00 41.12 40.04 1ini n ASP 156 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1ini n ARG 157 N 7.06 0.23 -2.41 -0.67 1.85 -1.26 -4.45 116.66 117.01 1ini n ARG 157 Ca 0.28 0.35 -0.42 0.00 -1.00 0.00 0.00 57.85 57.06 1ini n ARG 157 Cb 0.27 -1.86 -0.03 0.00 -1.05 0.00 0.00 32.46 29.79 1ini n ARG 157 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1ini s ASN 158 N -4.41 7.05 0.00 2.89 0.01 -1.26 -2.37 114.94 116.85 1ini s ASN 158 Ca 0.07 1.99 0.00 0.00 -0.71 0.00 0.00 52.86 54.21 1ini s ASN 158 Cb 0.10 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.19 1ini s ASN 158 CO 0.48 -0.51 0.00 0.61 -1.51 0.00 0.00 177.10 176.17 1ini n GLY 159 N 3.28 0.61 3.77 0.66 0.00 -1.26 -5.01 105.19 107.24 1ini n GLY 159 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1ini n GLY 159 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ini s LEU 160 N 0.00 4.24 0.09 0.99 2.96 -1.00 -5.07 118.68 120.88 1ini s LEU 160 Ca 0.00 0.30 0.06 0.00 -0.22 0.00 0.00 54.13 54.27 1ini s LEU 160 Cb 0.00 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 1ini s LEU 160 CO 0.00 0.26 -0.15 0.26 -1.32 0.00 0.00 176.35 175.39 1ini s TRP 161 N -0.11 1.36 -0.24 5.38 0.52 -1.26 -1.78 118.94 122.81 1ini s TRP 161 Ca 0.10 -0.47 -0.23 0.00 0.02 0.00 0.00 56.10 55.52 1ini s TRP 161 Cb -0.11 -0.75 -0.01 0.00 -1.15 0.00 0.00 33.47 31.45 1ini s TRP 161 CO 0.00 0.10 0.76 -1.01 0.02 0.00 0.00 176.95 176.82 1ini s HIS 162 N -1.41 3.31 0.06 -1.98 3.76 0.92 -4.91 115.29 115.04 1ini s HIS 162 Ca 0.02 1.03 -0.28 0.00 -0.15 0.00 0.00 55.06 55.67 1ini s HIS 162 Cb -0.09 -2.97 -0.05 0.00 1.11 0.00 0.00 32.58 30.58 1ini s HIS 162 CO 0.03 -0.36 0.91 0.00 -0.85 0.00 0.00 174.74 174.46 1ini s ALA 163 N 2.68 3.26 0.00 -1.40 0.00 -1.26 -1.34 121.76 123.69 1ini s ALA 163 Ca 0.32 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1ini s ALA 163 Cb -0.15 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1ini s ALA 163 CO 0.08 -0.06 0.00 1.28 0.00 0.00 0.00 175.76 177.06 1ini n LEU 164 N 3.10 0.00 -4.09 0.00 4.77 -0.54 -4.95 117.00 115.29 1ini n LEU 164 Ca 0.02 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.92 1ini n LEU 164 Cb 0.50 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 1ini n LEU 164 CO 0.50 0.00 -0.31 0.42 -1.33 0.00 0.00 177.39 176.67 1ini s THR 165 N -0.58 0.18 0.98 -5.08 -4.23 -1.26 -4.41 115.64 101.23 1ini s THR 165 Ca 0.00 -1.78 -0.11 0.00 -1.18 0.00 0.00 61.69 58.62 1ini s THR 165 Cb 0.00 -1.67 0.18 0.00 1.34 0.00 0.00 72.50 72.36 1ini s THR 165 CO 0.00 -0.80 1.11 -2.84 -0.54 0.00 0.00 174.62 171.55 1ini s PRO 166 N -3.95 0.51 -0.10 3.99 0.02 -1.26 -4.88 135.00 129.33 1ini s PRO 166 Ca 0.12 1.35 0.02 0.00 0.02 0.00 0.00 61.00 62.51 1ini s PRO 166 Cb 0.07 -1.68 0.01 0.00 0.02 0.00 0.00 34.50 32.93 1ini s PRO 166 CO -0.06 -2.91 -0.14 -0.65 -0.33 0.00 0.00 177.00 172.90 1ini s GLN 167 N -4.61 2.09 -0.20 5.54 -0.21 -0.46 -2.71 119.66 119.11 1ini s GLN 167 Ca 0.67 -0.52 -0.02 0.00 0.02 0.00 0.00 55.36 55.52 1ini s GLN 167 Cb -0.23 -1.78 0.00 0.00 1.00 0.00 0.00 33.01 32.00 1ini s GLN 167 CO 0.60 -0.05 -0.11 0.12 -2.12 0.00 0.00 175.29 173.72 1ini s PHE 168 N 0.96 2.88 0.13 0.91 5.36 -0.24 -0.95 117.98 127.02 1ini s PHE 168 Ca -0.08 -1.21 -0.06 0.00 -0.96 0.00 0.00 56.93 54.62 1ini s PHE 168 Cb -0.15 -2.02 -0.02 0.00 -0.34 0.00 0.00 43.02 40.50 1ini s PHE 168 CO -0.01 -0.64 0.18 -0.06 -1.46 0.00 0.00 175.22 173.23 1ini s PHE 169 N 1.34 0.46 0.30 10.12 0.40 -0.64 -1.66 117.98 128.29 1ini s PHE 169 Ca 0.04 -0.86 -0.29 0.00 -0.60 0.00 0.00 56.93 55.22 1ini s PHE 169 Cb -0.14 -0.19 -0.10 0.00 0.51 0.00 0.00 43.02 43.10 1ini s PHE 169 CO -0.07 -0.60 1.42 -2.14 0.70 0.00 0.00 175.22 174.53 1ini s PRO 170 N -3.96 4.26 0.09 0.24 0.02 -1.26 -0.51 135.00 133.88 1ini s PRO 170 Ca 0.15 2.34 -0.35 0.00 0.02 0.00 0.00 61.00 63.16 1ini s PRO 170 Cb 0.05 -3.07 -0.16 0.00 0.02 0.00 0.00 34.50 31.34 1ini s PRO 170 CO -0.03 -0.38 1.58 -0.09 -0.33 0.00 0.00 177.00 177.74 1ini h ARG 171 N 4.19 -0.90 -0.52 5.54 2.43 -1.23 -1.81 114.38 122.07 1ini h ARG 171 Ca -0.48 0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 58.67 1ini h ARG 171 Cb 1.22 0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.96 1ini h ARG 171 CO 0.72 -0.60 -0.01 1.49 -1.51 0.00 0.00 179.97 180.06 1ini h GLU 172 N -0.94 0.89 -0.01 0.20 4.81 -1.88 -0.26 114.58 117.39 1ini h GLU 172 Ca -0.05 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1ini h GLU 172 Cb 0.82 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 1ini h GLU 172 CO -0.06 0.89 0.01 1.25 -0.73 0.00 0.00 179.01 180.36 1ini h LEU 173 N 0.82 0.01 -0.30 1.64 5.85 -1.93 0.11 115.31 121.51 1ini h LEU 173 Ca 0.15 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1ini h LEU 173 Cb 0.50 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1ini h LEU 173 CO 0.02 0.01 0.20 0.25 -0.34 0.00 0.00 178.44 178.58 1ini h LEU 174 N 0.01 0.35 -0.37 2.25 5.85 -1.15 0.13 115.31 122.37 1ini h LEU 174 Ca 0.00 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.77 1ini h LEU 174 Cb -0.00 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 1ini h LEU 174 CO -0.00 0.26 0.03 -0.74 -0.34 0.00 0.00 178.44 177.65 1ini h HIS 175 N 0.41 0.04 -0.41 1.25 2.76 -0.69 -0.22 115.15 118.28 1ini h HIS 175 Ca 0.11 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.16 1ini h HIS 175 Cb -0.04 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 1ini h HIS 175 CO -0.05 -0.04 -0.31 -0.44 -1.30 0.00 0.00 177.93 175.79 1ini h ASP 176 N 0.14 0.99 -0.53 3.26 3.32 -0.50 -1.64 116.42 121.47 1ini h ASP 176 Ca 0.18 -0.44 -0.12 0.00 0.02 0.00 0.00 57.03 56.67 1ini h ASP 176 Cb 0.24 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1ini h ASP 176 CO -0.28 1.22 -0.13 0.00 -1.72 0.00 0.00 179.24 178.33 1ini h LEU 178 N 0.91 0.64 -0.24 0.00 5.85 -1.02 -0.59 115.31 120.87 1ini h LEU 178 Ca 0.13 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1ini h LEU 178 Cb 0.71 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1ini h LEU 178 CO 0.05 0.83 0.15 0.74 -0.34 0.00 0.00 178.44 179.87 1ini h THR 179 N 0.44 1.05 -0.17 1.05 2.02 -1.20 -0.80 112.91 115.32 1ini h THR 179 Ca 0.09 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1ini h THR 179 Cb 0.52 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1ini h THR 179 CO 0.03 0.06 0.10 -0.09 0.37 0.00 0.00 175.52 175.98 1ini h ARG 180 N 0.31 0.23 -0.04 6.66 2.43 -1.05 -0.32 114.38 122.60 1ini h ARG 180 Ca 0.09 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1ini h ARG 180 Cb -0.03 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1ini h ARG 180 CO -0.02 0.20 0.01 0.00 -1.51 0.00 0.00 179.97 178.65 1ini h ALA 181 N 1.02 0.05 -0.96 2.80 0.00 -0.91 -0.46 119.26 120.80 1ini h ALA 181 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ini h ALA 181 Cb 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1ini h ALA 181 CO -0.01 -0.47 0.61 -0.07 0.00 0.00 0.00 179.25 179.32 1ini h LEU 182 N 0.04 1.12 -0.95 0.00 3.38 -1.06 -0.66 115.31 117.17 1ini h LEU 182 Ca 0.02 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1ini h LEU 182 Cb 0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1ini h LEU 182 CO -0.02 0.83 0.09 0.78 0.09 0.00 0.00 178.44 180.21 1ini h ASN 183 N 1.31 0.81 -0.27 -0.43 -0.26 -0.61 -1.99 115.58 114.12 1ini h ASN 183 Ca 0.35 -0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 1ini h ASN 183 Cb -0.12 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 36.93 1ini h ASN 183 CO -0.07 0.82 0.00 -0.62 -1.06 0.00 0.00 177.43 176.50 1ini n GLU 184 N -4.25 2.22 -3.87 0.81 1.02 -0.22 -4.92 120.64 111.43 1ini n GLU 184 Ca 0.04 -1.23 -0.28 0.00 -0.02 0.00 0.00 57.16 55.66 1ini n GLU 184 Cb 0.26 -1.56 0.03 0.00 -0.02 0.00 0.00 31.44 30.15 1ini n GLU 184 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ini n GLY 185 N 0.60 -0.45 3.91 0.62 0.00 -0.71 -4.99 105.19 104.17 1ini n GLY 185 Ca 0.11 0.18 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 1ini n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ini s ALA 186 N -3.38 3.39 -0.39 4.61 0.00 -0.34 -5.02 121.76 120.62 1ini s ALA 186 Ca 0.53 -0.60 -0.26 0.00 0.00 0.00 0.00 51.96 51.63 1ini s ALA 186 Cb -0.26 -2.57 0.02 0.00 0.00 0.00 0.00 23.12 20.30 1ini s ALA 186 CO 0.83 -0.50 0.95 0.99 0.00 0.00 0.00 175.76 178.03 1ini s THR 187 N -2.82 4.53 -0.32 0.00 2.01 -1.26 -4.74 115.64 113.04 1ini s THR 187 Ca 0.50 1.13 0.02 0.00 0.31 0.00 0.00 61.69 63.65 1ini s THR 187 Cb -0.10 -4.38 0.09 0.00 0.01 0.00 0.00 72.50 68.12 1ini s THR 187 CO 0.45 -0.64 0.05 -0.63 -0.69 0.00 0.00 174.62 173.16 1ini s ILE 188 N 3.62 1.83 -1.33 1.82 1.01 -1.26 -4.95 121.20 121.93 1ini s ILE 188 Ca 0.39 -1.96 0.23 0.00 0.00 0.00 0.00 60.65 59.31 1ini s ILE 188 Cb -0.11 -2.31 -0.09 0.00 0.01 0.00 0.00 42.46 39.95 1ini s ILE 188 CO 0.21 -0.55 1.09 0.35 0.00 0.00 0.00 174.94 176.04 1ini n THR 189 N 4.46 0.00 -3.86 2.92 -2.24 -1.26 -4.56 114.28 109.74 1ini n THR 189 Ca 0.00 -0.08 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 1ini n THR 189 Cb 0.42 0.89 0.01 0.00 -2.10 0.00 0.00 70.33 69.55 1ini n THR 189 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1ini s ASP 190 N -2.82 0.17 0.19 3.42 -4.77 -1.26 -4.99 116.67 106.59 1ini s ASP 190 Ca 0.13 -1.20 0.05 0.00 -3.30 0.00 0.00 52.55 48.22 1ini s ASP 190 Cb 0.17 0.82 0.06 0.00 -1.09 0.00 0.00 42.92 42.88 1ini s ASP 190 CO 0.73 -1.62 1.43 -0.33 0.70 0.00 0.00 175.17 176.09 1ini h GLU 191 N 2.02 0.15 -0.69 2.11 3.07 -1.98 -3.07 114.58 116.19 1ini h GLU 191 Ca -0.31 -0.15 0.02 0.00 -0.50 0.00 0.00 59.36 58.42 1ini h GLU 191 Cb 1.25 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 29.16 1ini h GLU 191 CO 0.40 0.88 0.45 0.00 -1.40 0.00 0.00 179.01 179.34 1ini h ALA 192 N 1.07 1.54 -0.46 3.43 0.00 -1.96 -1.67 119.26 121.21 1ini h ALA 192 Ca -0.03 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1ini h ALA 192 Cb 1.42 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1ini h ALA 192 CO 0.12 0.41 0.31 0.77 0.00 0.00 0.00 179.25 180.86 1ini h SER 193 N 0.90 0.38 -0.15 0.00 0.02 -1.93 -0.25 113.55 112.51 1ini h SER 193 Ca 0.26 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.11 1ini h SER 193 Cb -0.05 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1ini h SER 193 CO -0.06 0.26 -0.29 0.00 -1.14 0.00 0.00 176.83 175.60 1ini h ALA 194 N 1.75 0.24 -0.69 3.77 0.00 -1.40 -1.43 119.26 121.49 1ini h ALA 194 Ca 0.19 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1ini h ALA 194 Cb 0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1ini h ALA 194 CO -0.05 0.26 0.38 -0.07 0.00 0.00 0.00 179.25 179.76 1ini h LEU 195 N 0.09 0.86 -0.61 0.00 -0.00 -1.22 -2.48 115.31 111.94 1ini h LEU 195 Ca 0.01 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 57.80 1ini h LEU 195 Cb 0.88 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 41.29 1ini h LEU 195 CO 0.07 0.69 0.32 -0.33 -0.00 0.00 0.00 178.44 179.18 1ini h GLU 196 N 0.97 0.86 -0.19 1.13 5.08 -0.88 -1.12 114.58 120.43 1ini h GLU 196 Ca 0.25 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1ini h GLU 196 Cb 0.03 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1ini h GLU 196 CO -0.04 0.67 0.13 -0.92 -1.00 0.00 0.00 179.01 177.85 1ini h TYR 197 N 0.83 0.15 -0.43 4.33 3.20 -0.81 -0.90 116.97 123.33 1ini h TYR 197 Ca 0.21 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1ini h TYR 197 Cb 0.07 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1ini h TYR 197 CO -0.01 0.09 0.00 0.00 -1.64 0.00 0.00 178.16 176.60 1ini n GLY 199 N 1.09 0.71 3.97 0.00 0.00 -0.34 -5.08 105.19 105.54 1ini n GLY 199 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 1ini n GLY 199 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ini s PHE 200 N -2.42 2.98 -0.40 1.61 0.40 -0.49 -4.99 117.98 114.66 1ini s PHE 200 Ca 0.00 0.02 0.01 0.00 -0.60 0.00 0.00 56.93 56.36 1ini s PHE 200 Cb 0.00 -2.55 0.14 0.00 0.51 0.00 0.00 43.02 41.12 1ini s PHE 200 CO 0.00 -0.63 0.25 -1.01 0.70 0.00 0.00 175.22 174.52 1ini s HIS 201 N -2.63 1.32 0.71 0.36 3.76 -1.26 -3.91 115.29 113.64 1ini s HIS 201 Ca 0.54 -2.06 -0.16 0.00 -0.15 0.00 0.00 55.06 53.23 1ini s HIS 201 Cb -0.10 -1.33 0.01 0.00 1.11 0.00 0.00 32.58 32.27 1ini s HIS 201 CO 0.37 -0.80 1.09 -2.30 -0.85 0.00 0.00 174.74 172.25 1ini n PRO 202 N 3.65 0.63 -2.64 8.40 -0.02 -1.26 -4.99 135.00 138.76 1ini n PRO 202 Ca 0.13 0.27 -0.34 0.00 -2.02 0.00 0.00 63.50 61.54 1ini n PRO 202 Cb 0.37 -2.34 -0.05 0.00 -0.02 0.00 0.00 33.50 31.47 1ini n PRO 202 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1ini s GLN 203 N -3.45 4.01 -0.27 -0.52 2.00 -0.32 -4.90 119.66 116.21 1ini s GLN 203 Ca 0.76 1.30 -0.08 0.00 -2.00 0.00 0.00 55.36 55.34 1ini s GLN 203 Cb -0.35 -2.20 -0.02 0.00 0.80 0.00 0.00 33.01 31.25 1ini s GLN 203 CO 0.48 -0.24 0.08 -0.51 -0.50 0.00 0.00 175.29 174.60 1ini s LEU 204 N -3.24 3.60 -0.29 3.68 1.43 -1.26 -1.13 118.68 121.47 1ini s LEU 204 Ca 0.64 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 53.38 1ini s LEU 204 Cb -0.15 -1.93 0.03 0.00 0.03 0.00 0.00 46.19 44.18 1ini s LEU 204 CO 0.19 -0.08 0.01 -0.69 0.23 0.00 0.00 176.35 176.00 1ini s VAL 205 N 1.60 3.26 0.15 -1.59 1.01 0.44 -4.96 120.40 120.31 1ini s VAL 205 Ca 0.06 -1.09 -0.31 0.00 0.00 0.00 0.00 61.98 60.63 1ini s VAL 205 Cb -0.16 -2.76 -0.10 0.00 0.00 0.00 0.00 36.38 33.36 1ini s VAL 205 CO 0.04 0.02 1.67 -0.70 0.00 0.00 0.00 175.10 176.12 1ini s GLU 206 N 1.35 4.18 0.41 2.72 2.12 -1.26 -0.54 118.70 127.68 1ini s GLU 206 Ca -0.01 2.46 0.03 0.00 0.36 0.00 0.00 54.97 57.81 1ini s GLU 206 Cb -0.18 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 1ini s GLU 206 CO -0.01 -0.71 0.08 0.20 -0.54 0.00 0.00 175.26 174.29 1ini s GLY 207 N 1.63 2.58 0.37 -1.50 0.00 -0.28 -4.79 107.32 105.33 1ini s GLY 207 Ca 0.74 -1.29 -0.27 0.00 0.00 0.00 0.00 44.72 43.90 1ini s GLY 207 CO 0.32 -1.91 1.22 0.50 0.00 0.00 0.00 173.10 173.23 1ini s ARG 208 N -3.78 4.17 0.00 2.90 0.52 -1.26 -4.62 118.95 116.89 1ini s ARG 208 Ca 0.23 1.98 0.26 0.00 -0.52 0.00 0.00 55.73 57.69 1ini s ARG 208 Cb 0.04 -2.84 1.18 0.00 0.52 0.00 0.00 34.95 33.85 1ini s ARG 208 CO 0.13 -0.26 1.86 0.00 0.02 0.00 0.00 175.30 177.05 1ini n ALA 209 N 0.38 2.24 1.94 2.13 0.00 -1.26 -2.75 120.51 123.19 1ini n ALA 209 Ca 0.03 -0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.51 1ini n ALA 209 Cb 0.45 -1.43 0.80 0.00 0.00 0.00 0.00 19.45 19.27 1ini n ALA 209 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ini n ASP 210 N -1.44 0.16 -3.68 0.00 5.75 -1.26 -4.20 116.55 111.87 1ini n ASP 210 Ca 0.08 -1.17 -0.41 0.00 -0.01 0.00 0.00 54.79 53.28 1ini n ASP 210 Cb 0.28 -0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.37 1ini n ASP 210 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1ini n ASN 211 N -0.82 5.46 -4.92 -1.12 5.15 -1.11 -4.75 115.26 113.15 1ini n ASN 211 Ca 0.21 -2.92 -0.27 0.00 -0.60 0.00 0.00 54.58 51.00 1ini n ASN 211 Cb 0.12 -1.55 0.04 0.00 -0.53 0.00 0.00 39.78 37.86 1ini n ASN 211 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1ini s ILE 212 N 1.67 3.32 -0.20 -1.44 -0.00 -1.26 -4.90 121.20 118.38 1ini s ILE 212 Ca 0.49 -0.02 -0.06 0.00 -0.00 0.00 0.00 60.65 61.05 1ini s ILE 212 Cb 0.14 -3.35 -0.03 0.00 -0.00 0.00 0.00 42.46 39.22 1ini s ILE 212 CO -0.06 -0.37 0.04 -0.75 -0.00 0.00 0.00 174.94 173.80 1ini s LYS 213 N -5.08 3.77 -0.51 0.37 2.20 -1.26 -4.24 119.74 114.99 1ini s LYS 213 Ca 0.56 -0.44 -0.23 0.00 -0.36 0.00 0.00 55.97 55.49 1ini s LYS 213 Cb -0.11 -3.18 0.04 0.00 -1.51 0.00 0.00 37.83 33.07 1ini s LYS 213 CO 0.46 0.08 0.84 0.08 -0.36 0.00 0.00 175.35 176.45 1ini s VAL 214 N 0.86 4.55 0.00 4.02 1.01 0.32 -4.78 120.40 126.37 1ini s VAL 214 Ca 0.02 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1ini s VAL 214 Cb -0.14 -4.43 0.00 0.00 0.00 0.00 0.00 36.38 31.82 1ini s VAL 214 CO 0.02 -0.92 0.00 0.41 0.00 0.00 0.00 175.10 174.61 1ini n THR 215 N 6.09 0.00 -3.81 3.92 -1.04 -1.26 -4.87 114.28 113.31 1ini n THR 215 Ca 0.01 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.81 1ini n THR 215 Cb 0.47 -0.47 -0.02 0.00 -1.82 0.00 0.00 70.33 68.50 1ini n THR 215 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1ini s ARG 216 N -1.71 3.39 0.21 -2.82 3.00 -1.26 -3.60 118.95 116.15 1ini s ARG 216 Ca 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 55.73 54.88 1ini s ARG 216 Cb 0.00 -2.85 0.27 0.00 0.00 0.00 0.00 34.95 32.37 1ini s ARG 216 CO 0.00 0.33 1.74 -1.35 0.00 0.00 0.00 175.30 176.02 1ini h PRO 217 N 1.07 0.37 0.00 3.54 0.11 -1.81 -1.46 132.00 133.81 1ini h PRO 217 Ca -0.51 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 1ini h PRO 217 Cb 1.23 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1ini h PRO 217 CO 0.60 0.24 -0.17 1.49 -0.21 0.00 0.00 178.00 179.95 1ini h GLU 218 N 0.38 0.00 -0.54 1.05 4.81 -1.95 -2.82 114.58 115.51 1ini h GLU 218 Ca 0.30 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.60 1ini h GLU 218 Cb 0.38 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1ini h GLU 218 CO -0.31 0.17 0.36 -0.44 -0.73 0.00 0.00 179.01 178.06 1ini h ASP 219 N 0.00 0.40 0.22 1.04 3.32 -1.65 -2.48 116.42 117.28 1ini h ASP 219 Ca -0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1ini h ASP 219 Cb 0.46 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1ini h ASP 219 CO 0.02 0.26 -0.34 0.25 -1.72 0.00 0.00 179.24 177.71 1ini h LEU 220 N 0.46 -0.95 -0.49 1.55 5.85 -1.58 0.11 115.31 120.27 1ini h LEU 220 Ca 0.24 0.10 0.08 0.00 0.84 0.00 0.00 57.88 59.14 1ini h LEU 220 Cb 0.35 0.34 -0.07 0.00 0.37 0.00 0.00 40.66 41.66 1ini h LEU 220 CO -0.06 -0.45 0.09 0.00 -0.34 0.00 0.00 178.44 177.67 1ini h ALA 221 N -0.07 0.54 -0.58 1.25 0.00 -1.63 -1.05 119.26 117.72 1ini h ALA 221 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ini h ALA 221 Cb 0.62 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1ini h ALA 221 CO -0.13 -0.32 0.38 1.25 0.00 0.00 0.00 179.25 180.43 1ini h LEU 222 N 0.22 0.67 -0.89 0.00 5.85 -1.24 -1.60 115.31 118.32 1ini h LEU 222 Ca 0.24 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.95 1ini h LEU 222 Cb 0.33 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1ini h LEU 222 CO -0.33 0.49 0.58 0.00 -0.34 0.00 0.00 178.44 178.85 1ini h ALA 223 N 1.21 1.13 -0.59 1.25 0.00 0.03 -1.70 119.26 120.59 1ini h ALA 223 Ca 0.21 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ini h ALA 223 Cb -0.08 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.31 1ini h ALA 223 CO -0.05 0.54 0.38 1.49 0.00 0.00 0.00 179.25 181.62 1ini h GLU 224 N 1.21 0.75 -0.13 0.00 4.81 -0.67 -1.62 114.58 118.93 1ini h GLU 224 Ca 0.33 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.55 1ini h GLU 224 Cb -0.13 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.03 1ini h GLU 224 CO -0.07 0.49 -0.16 0.35 -0.73 0.00 0.00 179.01 178.89 1ini h PHE 225 N 0.77 -0.42 -0.29 0.92 3.57 -0.52 -2.15 116.94 118.81 1ini h PHE 225 Ca 0.22 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 1ini h PHE 225 Cb -0.06 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1ini h PHE 225 CO -0.04 -0.24 0.09 1.88 -2.23 0.00 0.00 178.31 177.77 1ini h TYR 226 N -0.21 0.41 -0.07 0.41 0.99 -1.00 -1.43 116.97 116.07 1ini h TYR 226 Ca 0.09 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.81 1ini h TYR 226 Cb 0.34 -0.13 0.00 0.00 1.00 0.00 0.00 36.73 37.95 1ini h TYR 226 CO -0.28 0.35 0.00 1.28 -0.00 0.00 0.00 178.16 179.51 1ini n LEU 227 N -4.39 0.44 -0.56 3.88 4.77 -0.64 -5.12 117.00 115.39 1ini n LEU 227 Ca 0.01 -0.21 0.07 0.00 -0.03 0.00 0.00 56.01 55.85 1ini n LEU 227 Cb 0.15 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1ini n LEU 227 CO 0.37 0.11 0.47 0.41 -1.33 0.00 0.00 177.39 177.41