#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3msi n ALA 1 N 0.00 3.05 -2.10 -5.12 0.00 -1.26 -5.01 120.51 110.06 3msi n ALA 1 Ca 0.00 -0.49 -0.42 0.00 0.00 0.00 0.00 53.44 52.52 3msi n ALA 1 Cb 0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 3msi n ALA 1 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3msi s GLN 2 N -3.42 4.20 0.16 0.00 2.00 -1.26 -4.97 119.66 116.37 3msi s GLN 2 Ca -0.05 2.07 -0.08 0.00 -2.00 0.00 0.00 55.36 55.31 3msi s GLN 2 Cb 0.14 -3.87 -0.06 0.00 0.80 0.00 0.00 33.01 30.02 3msi s GLN 2 CO 0.89 -0.78 0.45 0.00 -0.50 0.00 0.00 175.29 175.35 3msi s ALA 3 N 3.64 3.69 0.34 1.58 0.00 -1.26 -4.43 121.76 125.31 3msi s ALA 3 Ca 0.69 -0.40 0.09 0.00 0.00 0.00 0.00 51.96 52.34 3msi s ALA 3 Cb -0.31 -2.29 -0.05 0.00 0.00 0.00 0.00 23.12 20.47 3msi s ALA 3 CO 0.27 0.58 0.01 -1.12 0.00 0.00 0.00 175.76 175.49 3msi s SER 4 N -2.22 4.16 -0.01 0.00 0.01 0.26 -1.74 113.70 114.16 3msi s SER 4 Ca 0.41 -1.00 -0.30 0.00 1.31 0.00 0.00 55.95 56.37 3msi s SER 4 Cb -0.12 -0.52 -0.03 0.00 0.21 0.00 0.00 66.02 65.55 3msi s SER 4 CO 0.22 -0.24 1.03 -0.69 0.41 0.00 0.00 173.24 173.97 3msi s VAL 5 N -2.52 4.69 -0.04 3.43 1.01 -0.11 -1.64 120.40 125.20 3msi s VAL 5 Ca 0.35 1.93 0.05 0.00 0.00 0.00 0.00 61.98 64.31 3msi s VAL 5 Cb 0.00 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 3msi s VAL 5 CO 0.19 0.12 -0.19 -0.69 0.00 0.00 0.00 175.10 174.53 3msi s VAL 6 N 1.27 1.57 0.07 2.92 1.01 -0.10 -1.17 120.40 125.96 3msi s VAL 6 Ca 0.53 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 3msi s VAL 6 Cb -0.22 -1.33 -0.10 0.00 0.00 0.00 0.00 36.38 34.73 3msi s VAL 6 CO 0.26 0.45 1.94 0.00 0.00 0.00 0.00 175.10 177.74 3msi n ALA 7 N 3.03 1.83 1.25 5.51 0.00 -0.30 -0.91 120.51 130.92 3msi n ALA 7 Ca -0.18 0.24 0.13 0.00 0.00 0.00 0.00 53.44 53.64 3msi n ALA 7 Cb 0.53 -2.66 0.42 0.00 0.00 0.00 0.00 19.45 17.73 3msi n ALA 7 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3msi n ASN 8 N 6.93 0.86 -3.85 0.00 4.05 0.55 -0.93 115.26 122.87 3msi n ASN 8 Ca 0.19 -0.75 -0.07 0.00 0.45 0.00 0.00 54.58 54.40 3msi n ASN 8 Cb 0.40 0.09 -0.02 0.00 1.23 0.00 0.00 39.78 41.48 3msi n ASN 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3msi s GLN 9 N -2.55 1.78 0.21 1.20 -2.07 -1.26 -4.90 119.66 112.07 3msi s GLN 9 Ca 0.24 -0.98 -0.31 0.00 -1.82 0.00 0.00 55.36 52.49 3msi s GLN 9 Cb 0.19 0.61 -0.10 0.00 -1.09 0.00 0.00 33.01 32.62 3msi s GLN 9 CO 0.53 -0.81 1.51 -1.17 -1.32 0.00 0.00 175.29 174.02 3msi s LEU 10 N -2.92 4.37 -0.33 2.60 2.96 -1.26 -4.04 118.68 120.06 3msi s LEU 10 Ca 0.11 2.66 -0.04 0.00 -0.22 0.00 0.00 54.13 56.64 3msi s LEU 10 Cb -0.06 -3.61 0.05 0.00 0.50 0.00 0.00 46.19 43.07 3msi s LEU 10 CO 0.07 -0.78 0.07 -0.63 -1.32 0.00 0.00 176.35 173.76 3msi s ILE 11 N 0.56 3.39 0.57 6.68 1.01 -0.29 -4.95 121.20 128.18 3msi s ILE 11 Ca 0.65 -1.34 -0.20 0.00 0.00 0.00 0.00 60.65 59.75 3msi s ILE 11 Cb -0.43 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 3msi s ILE 11 CO 0.38 -0.21 1.29 -2.84 0.00 0.00 0.00 174.94 173.56 3msi s PRO 12 N 1.31 3.01 0.27 2.79 0.02 -1.26 -0.86 135.00 140.29 3msi s PRO 12 Ca -0.02 2.06 -0.29 0.00 0.02 0.00 0.00 61.00 62.77 3msi s PRO 12 Cb -0.20 -2.09 -0.14 0.00 0.02 0.00 0.00 34.50 32.08 3msi s PRO 12 CO 0.00 -1.23 1.01 1.51 -0.33 0.00 0.00 177.00 177.96 3msi n ILE 13 N -1.32 1.86 -1.19 2.83 3.06 -1.26 -1.73 119.36 121.61 3msi n ILE 13 Ca 0.12 -0.47 -0.07 0.00 -2.50 0.00 0.00 62.75 59.84 3msi n ILE 13 Cb 0.47 -0.95 -0.03 0.00 0.54 0.00 0.00 39.64 39.68 3msi n ILE 13 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 3msi n ASN 14 N 1.36 -4.96 -4.77 9.51 5.03 -0.69 -4.96 115.26 115.77 3msi n ASN 14 Ca 0.11 0.17 -0.38 0.00 0.87 0.00 0.00 54.58 55.34 3msi n ASN 14 Cb 0.31 -3.05 -0.04 0.00 -1.02 0.00 0.00 39.78 35.98 3msi n ASN 14 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3msi s THR 15 N -1.86 3.50 -0.11 3.41 2.01 -0.70 -4.76 115.64 117.13 3msi s THR 15 Ca 0.00 1.31 -0.24 0.00 0.31 0.00 0.00 61.69 63.08 3msi s THR 15 Cb 0.00 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 3msi s THR 15 CO 0.00 0.16 0.73 -1.00 -0.69 0.00 0.00 174.62 173.82 3msi s HIS 16 N -1.41 3.50 0.25 4.92 3.76 -1.26 -1.77 115.29 123.27 3msi s HIS 16 Ca 0.52 1.20 -0.30 0.00 -0.15 0.00 0.00 55.06 56.34 3msi s HIS 16 Cb -0.28 -2.87 -0.10 0.00 1.11 0.00 0.00 32.58 30.45 3msi s HIS 16 CO 0.35 -0.05 1.35 -0.51 -0.85 0.00 0.00 174.74 175.03 3msi s LEU 17 N 1.35 4.41 0.39 0.89 1.43 0.60 -4.80 118.68 122.95 3msi s LEU 17 Ca 0.36 2.55 0.08 0.00 -1.03 0.00 0.00 54.13 56.09 3msi s LEU 17 Cb -0.17 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.37 3msi s LEU 17 CO 0.15 -0.58 0.10 0.42 0.23 0.00 0.00 176.35 176.68 3msi s THR 18 N -0.25 2.39 0.39 5.49 -4.23 -1.26 -1.01 115.64 117.17 3msi s THR 18 Ca 0.55 -1.82 0.12 0.00 -1.18 0.00 0.00 61.69 59.36 3msi s THR 18 Cb -0.39 -2.94 0.13 0.00 1.34 0.00 0.00 72.50 70.64 3msi s THR 18 CO 0.43 -0.07 1.88 0.25 -0.54 0.00 0.00 174.62 176.58 3msi h LEU 19 N 1.60 0.09 -1.27 4.79 5.85 -1.95 -2.40 115.31 122.01 3msi h LEU 19 Ca -0.43 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3msi h LEU 19 Cb 1.25 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3msi h LEU 19 CO 0.70 0.35 0.00 -0.37 -0.34 0.00 0.00 178.44 178.78 3msi h VAL 20 N 0.09 0.00 0.00 1.05 -1.51 -2.03 -3.04 116.25 110.81 3msi h VAL 20 Ca 0.01 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 3msi h VAL 20 Cb 0.50 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 3msi h VAL 20 CO 0.04 0.00 -0.24 0.23 -1.23 0.00 0.00 177.57 176.36 3msi n MET 21 N -2.65 0.08 -4.36 5.19 2.81 -0.90 -4.70 117.12 112.58 3msi n MET 21 Ca 0.01 0.04 -0.29 0.00 -1.81 0.00 0.00 57.70 55.65 3msi n MET 21 Cb 0.23 -1.57 -0.17 0.00 -0.71 0.00 0.00 33.22 31.01 3msi n MET 21 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 3msi s MET 22 N -3.04 2.26 0.46 0.03 1.00 -1.15 -0.33 119.30 118.53 3msi s MET 22 Ca 0.12 -0.57 0.05 0.00 0.00 0.00 0.00 55.69 55.29 3msi s MET 22 Cb 0.17 -1.96 -0.04 0.00 0.00 0.00 0.00 34.83 33.01 3msi s MET 22 CO 0.62 -0.10 0.10 -0.98 0.00 0.00 0.00 175.02 174.65 3msi s ARG 23 N 1.10 2.14 -0.10 2.03 1.70 -0.09 -4.88 118.95 120.85 3msi s ARG 23 Ca -0.04 -2.13 0.01 0.00 -0.47 0.00 0.00 55.73 53.10 3msi s ARG 23 Cb -0.14 -1.74 -0.02 0.00 -0.57 0.00 0.00 34.95 32.47 3msi s ARG 23 CO -0.04 -0.24 -0.14 0.45 -1.08 0.00 0.00 175.30 174.26 3msi s SER 24 N -3.88 4.00 -0.11 -2.89 0.15 -1.26 -0.93 113.70 108.77 3msi s SER 24 Ca 0.27 -0.29 -0.25 0.00 0.70 0.00 0.00 55.95 56.37 3msi s SER 24 Cb 0.04 -1.38 0.06 0.00 -1.71 0.00 0.00 66.02 63.04 3msi s SER 24 CO 0.14 0.22 0.61 -0.70 1.20 0.00 0.00 173.24 174.71 3msi s GLU 25 N 0.02 0.88 -0.49 5.44 2.12 -0.65 -4.95 118.70 121.06 3msi s GLU 25 Ca -0.04 0.43 -0.25 0.00 0.36 0.00 0.00 54.97 55.46 3msi s GLU 25 Cb -0.14 0.42 0.03 0.00 0.26 0.00 0.00 34.13 34.70 3msi s GLU 25 CO 0.04 -0.22 0.92 0.08 -0.54 0.00 0.00 175.26 175.54 3msi s VAL 26 N -0.64 4.46 0.15 3.70 1.01 -1.26 -0.57 120.40 127.25 3msi s VAL 26 Ca -0.07 0.55 0.02 0.00 0.00 0.00 0.00 61.98 62.49 3msi s VAL 26 Cb -0.02 -4.46 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 3msi s VAL 26 CO 0.06 -0.92 -0.04 0.68 0.00 0.00 0.00 175.10 174.88 3msi s VAL 27 N 3.78 0.82 -0.07 2.92 -7.23 -1.26 -4.99 120.40 114.37 3msi s VAL 27 Ca 0.34 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.54 3msi s VAL 27 Cb -0.11 -1.97 0.01 0.00 0.56 0.00 0.00 36.38 34.87 3msi s VAL 27 CO 0.24 -0.62 -0.14 0.42 -0.31 0.00 0.00 175.10 174.69 3msi s THR 28 N -3.56 1.24 0.76 5.32 -4.23 -1.26 -3.92 115.64 110.00 3msi s THR 28 Ca 0.20 -0.55 -0.11 0.00 -1.18 0.00 0.00 61.69 60.05 3msi s THR 28 Cb 0.05 -1.12 0.05 0.00 1.34 0.00 0.00 72.50 72.82 3msi s THR 28 CO 0.01 0.38 1.10 -2.16 -0.54 0.00 0.00 174.62 173.41 3msi s PRO 29 N 0.59 2.27 0.30 3.99 0.04 -1.26 -5.11 135.00 135.82 3msi s PRO 29 Ca -0.14 1.24 -0.27 0.00 0.04 0.00 0.00 61.00 61.87 3msi s PRO 29 Cb -0.16 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 3msi s PRO 29 CO 0.04 -1.64 0.94 0.14 0.04 0.00 0.00 177.00 176.53 3msi s VAL 30 N -2.77 4.18 0.00 -0.36 -7.23 -1.25 -5.01 120.40 107.95 3msi s VAL 30 Ca 0.63 1.89 0.00 0.00 -1.81 0.00 0.00 61.98 62.69 3msi s VAL 30 Cb -0.18 -4.09 0.00 0.00 0.56 0.00 0.00 36.38 32.66 3msi s VAL 30 CO 0.53 0.24 0.00 0.61 -0.31 0.00 0.00 175.10 176.17 3msi n GLY 31 N 0.80 4.00 3.69 2.32 0.00 -1.26 -5.03 105.19 109.72 3msi n GLY 31 Ca 0.01 -1.80 -0.44 0.00 0.00 0.00 0.00 46.02 43.78 3msi n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3msi n ILE 32 N 0.00 0.13 -1.72 -0.61 5.41 -0.40 -4.84 119.36 117.34 3msi n ILE 32 Ca 0.00 -0.03 -0.43 0.00 1.00 0.00 0.00 62.75 63.29 3msi n ILE 32 Cb 0.00 -1.69 -0.02 0.00 -0.71 0.00 0.00 39.64 37.22 3msi n ILE 32 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3msi n PRO 33 N 3.41 2.38 -0.04 0.38 -0.02 -1.26 -0.94 135.00 138.91 3msi n PRO 33 Ca 0.16 0.84 0.24 0.00 -2.02 0.00 0.00 63.50 62.72 3msi n PRO 33 Cb 0.31 -2.54 0.72 0.00 -0.02 0.00 0.00 33.50 31.97 3msi n PRO 33 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3msi h ALA 34 N 4.01 2.52 0.00 3.55 0.00 -1.56 -1.53 119.26 126.25 3msi h ALA 34 Ca -0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3msi h ALA 34 Cb 1.25 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3msi h ALA 34 CO 0.73 -0.84 -0.03 1.05 0.00 0.00 0.00 179.25 180.17 3msi h GLU 35 N 0.00 0.00 0.00 0.00 4.11 -1.90 -2.31 114.58 114.48 3msi h GLU 35 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.73 3msi h GLU 35 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3msi h GLU 35 CO -0.00 0.03 0.00 -0.25 0.07 0.00 0.00 179.01 178.86 3msi n ASP 36 N -3.91 0.00 -0.31 3.06 8.00 -0.58 -4.32 116.55 118.50 3msi n ASP 36 Ca -0.03 0.08 0.15 0.00 0.71 0.00 0.00 54.79 55.70 3msi n ASP 36 Cb 0.12 -0.36 0.33 0.00 -0.02 0.00 0.00 41.12 41.19 3msi n ASP 36 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3msi h ILE 37 N 0.00 0.42 -0.68 0.53 2.04 -1.58 0.26 117.51 118.50 3msi h ILE 37 Ca 0.00 -0.12 0.11 0.00 1.00 0.00 0.00 64.86 65.85 3msi h ILE 37 Cb 0.36 0.03 -0.12 0.00 -0.74 0.00 0.00 36.82 36.35 3msi h ILE 37 CO 0.00 0.07 -0.37 -0.65 0.00 0.00 0.00 178.15 177.19 3msi h PRO 38 N 0.36 -0.14 -0.37 2.37 0.11 -1.86 -2.47 132.00 130.00 3msi h PRO 38 Ca 0.59 0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.78 3msi h PRO 38 Cb 1.16 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3msi h PRO 38 CO -0.56 -0.09 0.25 0.00 -0.21 0.00 0.00 178.00 177.39 3msi h ARG 39 N -0.14 0.18 0.00 1.05 3.08 -1.24 -3.01 114.38 114.30 3msi h ARG 39 Ca 0.24 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3msi h ARG 39 Cb 0.56 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3msi h ARG 39 CO -0.75 0.12 0.00 -0.07 -1.07 0.00 0.00 179.97 178.20 3msi h LEU 40 N 0.19 0.00 -9.72 3.04 3.38 -1.30 -3.46 115.31 107.44 3msi h LEU 40 Ca 0.17 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.61 3msi h LEU 40 Cb 0.42 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.24 3msi h LEU 40 CO -0.03 0.00 0.90 -0.69 0.09 0.00 0.00 178.44 178.71 3msi s VAL 41 N -3.29 2.24 0.00 1.22 1.01 -1.14 -1.21 120.40 119.23 3msi s VAL 41 Ca 0.06 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3msi s VAL 41 Cb 0.06 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.32 3msi s VAL 41 CO 0.64 0.02 0.00 -1.20 0.00 0.00 0.00 175.10 174.57 3msi n SER 42 N 3.00 -0.57 -4.91 3.32 7.64 -0.18 -4.95 113.62 116.98 3msi n SER 42 Ca 0.11 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.72 3msi n SER 42 Cb 0.37 -0.20 -0.01 0.00 -1.01 0.00 0.00 64.21 63.37 3msi n SER 42 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3msi s MET 43 N -0.05 3.56 -0.11 1.43 1.00 -0.35 -4.59 119.30 120.20 3msi s MET 43 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 55.69 55.76 3msi s MET 43 Cb 0.00 -2.46 -0.03 0.00 0.00 0.00 0.00 34.83 32.33 3msi s MET 43 CO 0.00 -0.08 -0.02 -1.14 0.00 0.00 0.00 175.02 173.79 3msi s GLN 44 N -4.46 3.21 0.31 2.03 0.74 -1.26 -0.29 119.66 119.94 3msi s GLN 44 Ca 0.46 -0.46 -0.18 0.00 0.05 0.00 0.00 55.36 55.23 3msi s GLN 44 Cb -0.10 -2.83 -0.09 0.00 1.10 0.00 0.00 33.01 31.09 3msi s GLN 44 CO 0.40 0.54 0.78 0.14 -0.55 0.00 0.00 175.29 176.60 3msi s VAL 45 N -0.43 4.57 -1.40 1.34 -7.23 -0.73 -0.16 120.40 116.35 3msi s VAL 45 Ca 0.07 1.19 0.18 0.00 -1.81 0.00 0.00 61.98 61.62 3msi s VAL 45 Cb -0.12 -3.71 0.55 0.00 0.56 0.00 0.00 36.38 33.66 3msi s VAL 45 CO 0.02 -0.08 1.46 -0.46 -0.31 0.00 0.00 175.10 175.74 3msi n ASN 46 N -0.05 3.80 -3.82 4.85 2.04 -0.21 -1.70 115.26 120.17 3msi n ASN 46 Ca 0.02 -2.13 -0.09 0.00 -0.44 0.00 0.00 54.58 51.94 3msi n ASN 46 Cb 0.52 -0.43 -0.04 0.00 -2.53 0.00 0.00 39.78 37.31 3msi n ASN 46 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3msi s ARG 47 N -1.25 1.50 0.32 -3.83 1.70 -1.26 -4.81 118.95 111.32 3msi s ARG 47 Ca 0.41 -0.98 -0.29 0.00 -0.47 0.00 0.00 55.73 54.41 3msi s ARG 47 Cb 0.23 0.53 -0.10 0.00 -0.57 0.00 0.00 34.95 35.04 3msi s ARG 47 CO 0.25 -0.64 1.18 0.00 -1.08 0.00 0.00 175.30 175.01 3msi s ALA 48 N -3.92 3.40 -0.33 7.88 0.00 -1.26 -4.09 121.76 123.45 3msi s ALA 48 Ca 0.13 1.03 0.04 0.00 0.00 0.00 0.00 51.96 53.16 3msi s ALA 48 Cb -0.02 -3.39 0.10 0.00 0.00 0.00 0.00 23.12 19.81 3msi s ALA 48 CO 0.02 -0.38 0.04 0.08 0.00 0.00 0.00 175.76 175.52 3msi s VAL 49 N -1.20 2.20 0.76 0.00 1.01 -0.04 -4.91 120.40 118.23 3msi s VAL 49 Ca 0.48 -2.24 -0.15 0.00 0.00 0.00 0.00 61.98 60.07 3msi s VAL 49 Cb -0.34 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.47 3msi s VAL 49 CO 0.45 -0.55 0.98 -2.65 0.00 0.00 0.00 175.10 173.32 3msi n PRO 50 N 4.30 0.34 -1.65 2.72 -0.02 -1.26 -1.14 135.00 138.29 3msi n PRO 50 Ca 0.02 0.18 -0.47 0.00 -2.02 0.00 0.00 63.50 61.21 3msi n PRO 50 Cb 0.42 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.62 3msi n PRO 50 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3msi n LEU 51 N -2.07 2.82 0.00 2.45 7.94 -1.26 -1.74 117.00 125.15 3msi n LEU 51 Ca 0.13 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 56.12 3msi n LEU 51 Cb 0.50 -1.38 0.00 0.00 0.53 0.00 0.00 43.42 43.07 3msi n LEU 51 CO 0.49 -0.46 0.00 0.61 -1.11 0.00 0.00 177.39 176.92 3msi n GLY 52 N 3.07 0.88 3.84 -3.96 0.00 -0.10 -4.98 105.19 103.93 3msi n GLY 52 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 3msi n GLY 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3msi s THR 53 N -3.12 4.93 0.05 2.61 -4.23 -0.71 -4.73 115.64 110.43 3msi s THR 53 Ca 0.00 0.80 -0.31 0.00 -1.18 0.00 0.00 61.69 61.00 3msi s THR 53 Cb 0.00 -3.73 -0.07 0.00 1.34 0.00 0.00 72.50 70.04 3msi s THR 53 CO 0.00 0.36 1.40 -0.89 -0.54 0.00 0.00 174.62 174.96 3msi s THR 54 N -1.33 3.54 -0.21 3.99 2.01 -1.26 -1.15 115.64 121.24 3msi s THR 54 Ca 0.33 1.02 -0.29 0.00 0.31 0.00 0.00 61.69 63.05 3msi s THR 54 Cb -0.16 -3.65 -0.00 0.00 0.01 0.00 0.00 72.50 68.70 3msi s THR 54 CO 0.18 0.03 1.20 -0.22 -0.69 0.00 0.00 174.62 175.12 3msi s LEU 55 N 1.91 4.11 0.15 4.42 2.96 -0.32 -4.95 118.68 126.96 3msi s LEU 55 Ca 0.65 1.52 0.03 0.00 -0.22 0.00 0.00 54.13 56.10 3msi s LEU 55 Cb -0.34 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.78 3msi s LEU 55 CO 0.28 -0.78 0.26 -0.04 -1.32 0.00 0.00 176.35 174.75 3msi s MET 56 N 3.52 3.37 0.30 1.98 -1.94 -1.26 -1.27 119.30 124.00 3msi s MET 56 Ca 0.52 -0.62 0.06 0.00 -1.71 0.00 0.00 55.69 53.94 3msi s MET 56 Cb -0.19 -2.93 0.81 0.00 2.01 0.00 0.00 34.83 34.53 3msi s MET 56 CO 0.14 0.52 1.70 -1.35 -0.01 0.00 0.00 175.02 176.02 3msi h PRO 57 N 2.23 0.43 0.00 2.03 0.11 -1.95 -1.19 132.00 133.65 3msi h PRO 57 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3msi h PRO 57 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3msi h PRO 57 CO 0.68 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 178.36 3msi n ASP 58 N -5.00 0.00 -0.07 -2.05 5.75 -1.26 -2.81 116.55 111.11 3msi n ASP 58 Ca 0.24 0.11 0.12 0.00 -0.01 0.00 0.00 54.79 55.26 3msi n ASP 58 Cb 0.71 -0.34 0.30 0.00 -1.03 0.00 0.00 41.12 40.76 3msi n ASP 58 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3msi n MET 59 N -1.34 0.24 -4.05 0.11 2.81 -0.45 -4.84 117.12 109.60 3msi n MET 59 Ca 0.09 -0.14 -0.34 0.00 -1.81 0.00 0.00 57.70 55.50 3msi n MET 59 Cb 0.19 -1.50 -0.15 0.00 -0.71 0.00 0.00 33.22 31.05 3msi n MET 59 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3msi s VAL 60 N -2.85 2.45 0.03 2.03 1.01 -1.12 -1.04 120.40 120.90 3msi s VAL 60 Ca 0.15 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 3msi s VAL 60 Cb 0.18 -2.10 -0.07 0.00 0.00 0.00 0.00 36.38 34.39 3msi s VAL 60 CO 0.64 0.45 1.63 -0.54 0.00 0.00 0.00 175.10 177.29 3msi s LYS 61 N 1.33 4.20 0.00 2.72 1.02 0.78 -2.27 119.74 127.52 3msi s LYS 61 Ca 0.04 2.26 0.00 0.00 0.02 0.00 0.00 55.97 58.29 3msi s LYS 61 Cb -0.14 -3.72 0.00 0.00 -0.52 0.00 0.00 37.83 33.45 3msi s LYS 61 CO -0.10 -0.75 0.00 0.41 -0.92 0.00 0.00 175.35 173.99 3msi n GLY 62 N 4.01 0.91 3.75 -3.33 0.00 -1.26 -4.37 105.19 104.90 3msi n GLY 62 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3msi n GLY 62 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3msi s TYR 63 N -2.91 3.76 -0.18 1.61 5.04 -0.96 -5.02 117.35 118.68 3msi s TYR 63 Ca 0.00 1.77 -0.11 0.00 -2.44 0.00 0.00 57.07 56.29 3msi s TYR 63 Cb 0.00 -3.14 0.06 0.00 0.35 0.00 0.00 41.96 39.23 3msi s TYR 63 CO 0.00 -0.10 0.45 0.00 -1.34 0.00 0.00 175.55 174.56 3msi s ALA 64 N -0.77 -1.16 -2.40 3.97 0.00 -1.26 -4.97 121.76 115.17 3msi s ALA 64 Ca 0.45 1.62 0.19 0.00 0.00 0.00 0.00 51.96 54.22 3msi s ALA 64 Cb -0.28 -0.97 0.15 0.00 0.00 0.00 0.00 23.12 22.02 3msi s ALA 64 CO 0.35 -0.27 1.11 0.00 0.00 0.00 0.00 175.76 176.94