#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2msi n ALA 1 N 0.00 1.75 -1.90 3.17 0.00 -1.26 -4.97 120.51 117.30 2msi n ALA 1 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2msi n ALA 1 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2msi n ALA 1 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2msi s GLN 2 N -1.03 4.28 0.09 0.00 2.00 -1.26 -4.97 119.66 118.78 2msi s GLN 2 Ca 0.00 2.27 -0.03 0.00 -2.00 0.00 0.00 55.36 55.60 2msi s GLN 2 Cb 0.00 -3.12 -0.05 0.00 0.80 0.00 0.00 33.01 30.64 2msi s GLN 2 CO 0.00 -0.40 0.29 0.00 -0.50 0.00 0.00 175.29 174.68 2msi s ALA 3 N 0.03 3.90 0.37 1.58 0.00 -1.26 -4.45 121.76 121.92 2msi s ALA 3 Ca 0.59 -0.70 0.07 0.00 0.00 0.00 0.00 51.96 51.93 2msi s ALA 3 Cb -0.41 -1.98 -0.07 0.00 0.00 0.00 0.00 23.12 20.66 2msi s ALA 3 CO 0.42 0.75 -0.03 -1.12 0.00 0.00 0.00 175.76 175.79 2msi s SER 4 N -2.43 3.61 -0.13 0.00 0.01 0.24 -1.60 113.70 113.40 2msi s SER 4 Ca 0.37 -1.30 -0.29 0.00 1.31 0.00 0.00 55.95 56.04 2msi s SER 4 Cb -0.13 -0.34 -0.01 0.00 0.21 0.00 0.00 66.02 65.76 2msi s SER 4 CO 0.26 -0.38 1.05 -0.69 0.41 0.00 0.00 173.24 173.89 2msi s VAL 5 N -2.75 4.68 0.07 3.43 1.01 -0.22 -1.63 120.40 124.98 2msi s VAL 5 Ca 0.34 1.97 0.06 0.00 0.00 0.00 0.00 61.98 64.35 2msi s VAL 5 Cb 0.07 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 2msi s VAL 5 CO 0.17 -0.05 -0.17 0.68 0.00 0.00 0.00 175.10 175.74 2msi s VAL 6 N 2.37 1.33 0.03 2.92 -7.23 -0.50 -0.77 120.40 118.55 2msi s VAL 6 Ca 0.48 -1.29 -0.30 0.00 -1.81 0.00 0.00 61.98 59.06 2msi s VAL 6 Cb -0.18 -1.22 -0.07 0.00 0.56 0.00 0.00 36.38 35.46 2msi s VAL 6 CO 0.15 -0.09 1.54 0.00 -0.31 0.00 0.00 175.10 176.40 2msi s ALA 7 N -1.11 3.64 -1.41 1.32 0.00 -0.30 -1.10 121.76 122.80 2msi s ALA 7 Ca 0.02 1.06 0.27 0.00 0.00 0.00 0.00 51.96 53.30 2msi s ALA 7 Cb -0.09 -3.65 0.81 0.00 0.00 0.00 0.00 23.12 20.18 2msi s ALA 7 CO 0.03 -1.03 1.60 -1.71 0.00 0.00 0.00 175.76 174.65 2msi n ASN 8 N 5.55 0.64 -3.92 0.00 4.05 0.39 -0.88 115.26 121.08 2msi n ASN 8 Ca 0.15 -0.49 -0.08 0.00 0.45 0.00 0.00 54.58 54.61 2msi n ASN 8 Cb 0.42 0.08 -0.04 0.00 1.23 0.00 0.00 39.78 41.47 2msi n ASN 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2msi s GLN 9 N -2.71 1.62 0.12 1.20 -2.07 -1.26 -4.88 119.66 111.68 2msi s GLN 9 Ca 0.20 -1.11 -0.31 0.00 -1.82 0.00 0.00 55.36 52.31 2msi s GLN 9 Cb 0.19 0.53 -0.08 0.00 -1.09 0.00 0.00 33.01 32.55 2msi s GLN 9 CO 0.57 -0.70 1.39 -1.17 -1.32 0.00 0.00 175.29 174.06 2msi s LEU 10 N -2.97 4.37 -0.35 2.60 1.98 -1.26 -3.93 118.68 119.12 2msi s LEU 10 Ca 0.17 2.34 -0.07 0.00 -2.89 0.00 0.00 54.13 53.67 2msi s LEU 10 Cb -0.03 -3.59 0.04 0.00 0.66 0.00 0.00 46.19 43.27 2msi s LEU 10 CO 0.07 -0.65 0.13 -0.63 -1.89 0.00 0.00 176.35 173.38 2msi s ILE 11 N 1.07 3.95 0.76 6.68 1.01 0.44 -4.94 121.20 130.18 2msi s ILE 11 Ca 0.64 -1.09 -0.14 0.00 0.00 0.00 0.00 60.65 60.06 2msi s ILE 11 Cb -0.37 -3.24 0.06 0.00 0.01 0.00 0.00 42.46 38.92 2msi s ILE 11 CO 0.31 -0.20 1.21 -2.84 0.00 0.00 0.00 174.94 173.41 2msi s PRO 12 N 1.43 1.93 0.31 2.79 0.02 -1.26 -0.12 135.00 140.10 2msi s PRO 12 Ca -0.01 1.77 -0.29 0.00 0.02 0.00 0.00 61.00 62.49 2msi s PRO 12 Cb -0.20 -1.81 -0.13 0.00 0.02 0.00 0.00 34.50 32.39 2msi s PRO 12 CO 0.04 -2.00 1.32 1.51 -0.33 0.00 0.00 177.00 177.53 2msi n ILE 13 N -2.96 1.68 -1.68 2.83 3.06 -1.26 -2.13 119.36 118.91 2msi n ILE 13 Ca 0.14 -0.42 -0.16 0.00 -2.50 0.00 0.00 62.75 59.81 2msi n ILE 13 Cb 0.50 -1.53 -0.05 0.00 0.54 0.00 0.00 39.64 39.10 2msi n ILE 13 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 2msi n ASN 14 N 1.22 -4.89 -4.80 9.51 5.03 -0.79 -4.94 115.26 115.59 2msi n ASN 14 Ca 0.07 0.29 -0.36 0.00 0.87 0.00 0.00 54.58 55.45 2msi n ASN 14 Cb 0.35 -3.86 -0.06 0.00 -1.02 0.00 0.00 39.78 35.18 2msi n ASN 14 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2msi s THR 15 N -2.65 4.44 -0.04 3.41 2.01 -0.90 -4.78 115.64 117.13 2msi s THR 15 Ca 0.00 1.48 -0.28 0.00 0.31 0.00 0.00 61.69 63.19 2msi s THR 15 Cb 0.00 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 2msi s THR 15 CO 0.00 0.14 0.91 -0.04 -0.69 0.00 0.00 174.62 174.94 2msi s MET 16 N -2.10 4.50 0.36 4.92 -1.94 -1.26 -2.12 119.30 121.66 2msi s MET 16 Ca 0.47 1.26 -0.27 0.00 -1.71 0.00 0.00 55.69 55.44 2msi s MET 16 Cb -0.17 -3.47 -0.09 0.00 2.01 0.00 0.00 34.83 33.11 2msi s MET 16 CO 0.21 -0.07 1.22 -0.51 -0.01 0.00 0.00 175.02 175.86 2msi s LEU 17 N 1.16 4.32 0.32 -0.03 1.43 0.04 -4.79 118.68 121.14 2msi s LEU 17 Ca 0.47 2.49 0.07 0.00 -1.03 0.00 0.00 54.13 56.13 2msi s LEU 17 Cb -0.20 -3.83 -0.06 0.00 0.03 0.00 0.00 46.19 42.13 2msi s LEU 17 CO 0.23 -0.58 -0.04 0.42 0.23 0.00 0.00 176.35 176.62 2msi s THR 18 N -1.27 1.77 0.38 5.49 -4.23 -1.26 -1.11 115.64 115.41 2msi s THR 18 Ca 0.53 -2.10 0.07 0.00 -1.18 0.00 0.00 61.69 59.00 2msi s THR 18 Cb -0.35 -2.64 0.18 0.00 1.34 0.00 0.00 72.50 71.03 2msi s THR 18 CO 0.45 -0.18 1.94 -0.07 -0.54 0.00 0.00 174.62 176.22 2msi h LEU 19 N 2.11 0.38 -2.19 4.79 3.38 -1.95 -2.30 115.31 119.52 2msi h LEU 19 Ca -0.41 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 2msi h LEU 19 Cb 1.24 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 2msi h LEU 19 CO 0.71 0.44 -0.03 1.62 0.09 0.00 0.00 178.44 181.26 2msi h VAL 20 N 0.40 0.14 0.00 1.22 3.04 -2.02 -2.76 116.25 116.26 2msi h VAL 20 Ca 0.09 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 2msi h VAL 20 Cb 0.25 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 2msi h VAL 20 CO 0.01 0.03 -0.14 0.23 -1.01 0.00 0.00 177.57 176.68 2msi n MET 21 N -3.22 0.14 -4.24 4.17 2.81 -0.86 -4.69 117.12 111.23 2msi n MET 21 Ca -0.01 0.09 -0.31 0.00 -1.81 0.00 0.00 57.70 55.66 2msi n MET 21 Cb 0.19 -1.64 -0.16 0.00 -0.71 0.00 0.00 33.22 30.90 2msi n MET 21 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 2msi s MET 22 N -3.06 2.52 0.47 0.03 -1.94 -1.04 -0.47 119.30 115.81 2msi s MET 22 Ca 0.11 -0.66 0.06 0.00 -1.71 0.00 0.00 55.69 53.50 2msi s MET 22 Cb 0.16 -2.20 -0.01 0.00 2.01 0.00 0.00 34.83 34.78 2msi s MET 22 CO 0.60 -0.16 0.25 -0.98 -0.01 0.00 0.00 175.02 174.72 2msi s ARG 23 N 1.24 2.26 -0.15 2.03 1.70 -0.26 -4.89 118.95 120.88 2msi s ARG 23 Ca 0.01 -1.94 0.01 0.00 -0.47 0.00 0.00 55.73 53.34 2msi s ARG 23 Cb -0.14 -2.01 -0.00 0.00 -0.57 0.00 0.00 34.95 32.23 2msi s ARG 23 CO -0.08 -0.32 -0.16 0.45 -1.08 0.00 0.00 175.30 174.11 2msi s SER 24 N -4.05 3.62 0.01 -2.89 0.15 -1.26 -1.41 113.70 107.87 2msi s SER 24 Ca 0.35 -0.47 -0.13 0.00 0.70 0.00 0.00 55.95 56.41 2msi s SER 24 Cb 0.01 -1.55 0.02 0.00 -1.71 0.00 0.00 66.02 62.79 2msi s SER 24 CO 0.20 0.10 0.27 -1.61 1.20 0.00 0.00 173.24 173.41 2msi s GLU 25 N 0.71 0.67 -0.58 5.44 2.02 -0.65 -4.93 118.70 121.38 2msi s GLU 25 Ca -0.07 -0.34 -0.22 0.00 0.02 0.00 0.00 54.97 54.36 2msi s GLU 25 Cb -0.16 0.29 0.06 0.00 0.10 0.00 0.00 34.13 34.43 2msi s GLU 25 CO 0.01 -0.19 0.86 0.08 0.02 0.00 0.00 175.26 176.05 2msi s VAL 26 N -1.73 4.50 0.26 2.63 1.01 -1.26 -0.59 120.40 125.23 2msi s VAL 26 Ca -0.11 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 61.73 2msi s VAL 26 Cb -0.04 -4.53 -0.06 0.00 0.00 0.00 0.00 36.38 31.75 2msi s VAL 26 CO 0.01 -1.16 -0.06 0.68 0.00 0.00 0.00 175.10 174.57 2msi s VAL 27 N 3.61 1.58 -0.02 2.92 -7.23 -1.26 -4.90 120.40 115.10 2msi s VAL 27 Ca 0.23 -2.12 0.03 0.00 -1.81 0.00 0.00 61.98 58.30 2msi s VAL 27 Cb -0.16 -2.38 -0.00 0.00 0.56 0.00 0.00 36.38 34.39 2msi s VAL 27 CO 0.14 -0.34 -0.10 0.42 -0.31 0.00 0.00 175.10 174.90 2msi s THR 28 N -3.06 0.83 0.87 5.32 -4.23 -1.26 -4.12 115.64 110.00 2msi s THR 28 Ca 0.28 -0.42 -0.10 0.00 -1.18 0.00 0.00 61.69 60.27 2msi s THR 28 Cb 0.03 -0.72 0.12 0.00 1.34 0.00 0.00 72.50 73.28 2msi s THR 28 CO 0.11 0.25 1.12 -2.16 -0.54 0.00 0.00 174.62 173.40 2msi s PRO 29 N -0.03 1.41 0.24 3.99 0.04 -1.26 -5.11 135.00 134.27 2msi s PRO 29 Ca 0.00 1.39 -0.21 0.00 0.04 0.00 0.00 61.00 62.22 2msi s PRO 29 Cb -0.06 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.61 2msi s PRO 29 CO 0.00 -2.31 0.77 0.14 0.04 0.00 0.00 177.00 175.64 2msi s VAL 30 N -2.74 4.50 0.00 -0.36 -7.23 -1.26 -5.01 120.40 108.29 2msi s VAL 30 Ca 0.65 1.40 0.00 0.00 -1.81 0.00 0.00 61.98 62.22 2msi s VAL 30 Cb -0.21 -3.90 0.00 0.00 0.56 0.00 0.00 36.38 32.83 2msi s VAL 30 CO 0.57 0.21 0.00 0.61 -0.31 0.00 0.00 175.10 176.19 2msi n GLY 31 N 0.74 3.82 3.73 2.32 0.00 -1.26 -5.03 105.19 109.52 2msi n GLY 31 Ca -0.02 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 2msi n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2msi n ILE 32 N 0.00 0.90 -1.98 -0.61 5.41 0.14 -4.83 119.36 118.40 2msi n ILE 32 Ca 0.00 -0.23 -0.41 0.00 1.00 0.00 0.00 62.75 63.12 2msi n ILE 32 Cb 0.00 -1.90 -0.01 0.00 -0.71 0.00 0.00 39.64 37.02 2msi n ILE 32 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2msi s PRO 33 N -0.32 4.25 0.56 0.38 0.02 -1.26 -1.06 135.00 137.57 2msi s PRO 33 Ca 0.66 2.37 0.28 0.00 0.02 0.00 0.00 61.00 64.33 2msi s PRO 33 Cb -0.52 -3.03 1.47 0.00 0.02 0.00 0.00 34.50 32.44 2msi s PRO 33 CO 0.47 -0.36 1.96 0.00 -0.33 0.00 0.00 177.00 178.75 2msi h ALA 34 N 3.46 2.33 0.00 -1.55 0.00 -1.52 -0.99 119.26 120.98 2msi h ALA 34 Ca -0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2msi h ALA 34 Cb 1.23 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2msi h ALA 34 CO 0.67 -0.68 -0.04 0.93 0.00 0.00 0.00 179.25 180.13 2msi h GLU 35 N 0.00 0.00 -0.01 0.00 3.07 -1.90 -2.38 114.58 113.37 2msi h GLU 35 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 2msi h GLU 35 Cb 1.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 2msi h GLU 35 CO -0.00 0.04 -0.04 -0.25 -1.40 0.00 0.00 179.01 177.35 2msi n ASP 36 N -3.36 0.60 -0.15 1.42 9.92 -0.38 -4.41 116.55 120.20 2msi n ASP 36 Ca -0.02 -0.96 -0.03 0.00 -0.53 0.00 0.00 54.79 53.25 2msi n ASP 36 Cb 0.17 -0.03 0.04 0.00 -0.64 0.00 0.00 41.12 40.65 2msi n ASP 36 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2msi h ILE 37 N 0.87 0.54 -0.23 0.53 2.04 -1.59 -1.03 117.51 118.64 2msi h ILE 37 Ca 0.00 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 65.92 2msi h ILE 37 Cb 0.28 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2msi h ILE 37 CO 0.00 0.00 0.19 1.55 0.00 0.00 0.00 178.15 179.89 2msi h PRO 38 N 0.02 0.00 0.00 2.37 0.13 -1.86 -1.48 132.00 131.18 2msi h PRO 38 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 2msi h PRO 38 Cb 0.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.49 2msi h PRO 38 CO -0.48 0.00 -0.19 0.00 -0.23 0.00 0.00 178.00 177.11 2msi h ARG 39 N 0.00 0.00 0.00 0.86 3.08 -1.50 -3.31 114.38 113.52 2msi h ARG 39 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2msi h ARG 39 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2msi h ARG 39 CO -0.00 0.00 -0.22 -0.07 -1.07 0.00 0.00 179.97 178.61 2msi h LEU 40 N 0.00 0.00 -9.80 3.04 3.38 -1.03 -3.46 115.31 107.44 2msi h LEU 40 Ca 0.00 -0.02 -0.53 0.00 0.09 0.00 0.00 57.88 57.42 2msi h LEU 40 Cb 0.90 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.72 2msi h LEU 40 CO 0.00 0.01 0.84 -0.69 0.09 0.00 0.00 178.44 178.69 2msi s VAL 41 N -3.21 2.23 0.00 1.22 1.01 -1.23 -1.51 120.40 118.91 2msi s VAL 41 Ca 0.07 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.24 2msi s VAL 41 Cb 0.08 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.33 2msi s VAL 41 CO 0.68 0.03 0.00 -1.20 0.00 0.00 0.00 175.10 174.61 2msi n SER 42 N 2.09 -0.02 -4.88 3.32 7.64 -0.26 -4.94 113.62 116.57 2msi n SER 42 Ca 0.07 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.65 2msi n SER 42 Cb 0.38 -0.42 -0.04 0.00 -1.01 0.00 0.00 64.21 63.13 2msi n SER 42 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2msi s MET 43 N -0.17 3.79 -0.12 1.43 1.00 -0.57 -4.68 119.30 119.98 2msi s MET 43 Ca 0.00 0.43 -0.06 0.00 0.00 0.00 0.00 55.69 56.06 2msi s MET 43 Cb 0.00 -2.43 -0.04 0.00 0.00 0.00 0.00 34.83 32.36 2msi s MET 43 CO 0.00 0.03 0.10 -1.14 0.00 0.00 0.00 175.02 174.01 2msi s GLN 44 N -3.67 3.36 0.27 2.03 0.74 -1.26 -0.78 119.66 120.35 2msi s GLN 44 Ca 0.51 -0.21 -0.11 0.00 0.05 0.00 0.00 55.36 55.60 2msi s GLN 44 Cb -0.10 -3.09 -0.07 0.00 1.10 0.00 0.00 33.01 30.84 2msi s GLN 44 CO 0.29 0.72 0.61 0.14 -0.55 0.00 0.00 175.29 176.51 2msi s VAL 45 N -0.89 4.87 -1.95 1.34 -7.23 -0.90 -0.07 120.40 115.56 2msi s VAL 45 Ca 0.14 0.56 0.19 0.00 -1.81 0.00 0.00 61.98 61.07 2msi s VAL 45 Cb -0.12 -3.63 0.42 0.00 0.56 0.00 0.00 36.38 33.61 2msi s VAL 45 CO 0.03 -0.15 1.35 -0.46 -0.31 0.00 0.00 175.10 175.56 2msi n ASN 46 N -0.34 3.33 -3.96 4.85 0.23 0.29 -1.88 115.26 117.78 2msi n ASN 46 Ca 0.01 -1.94 -0.10 0.00 -0.53 0.00 0.00 54.58 52.02 2msi n ASN 46 Cb 0.53 -0.28 -0.06 0.00 -2.08 0.00 0.00 39.78 37.89 2msi n ASN 46 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2msi s ARG 47 N -1.23 1.33 0.26 -3.83 1.70 -1.26 -4.77 118.95 111.14 2msi s ARG 47 Ca 0.36 -1.19 -0.30 0.00 -0.47 0.00 0.00 55.73 54.13 2msi s ARG 47 Cb 0.20 0.42 -0.09 0.00 -0.57 0.00 0.00 34.95 34.91 2msi s ARG 47 CO 0.27 -0.52 1.28 0.00 -1.08 0.00 0.00 175.30 175.25 2msi s ALA 48 N -3.99 3.50 -0.29 7.88 0.00 -1.26 -4.06 121.76 123.55 2msi s ALA 48 Ca 0.19 1.14 0.03 0.00 0.00 0.00 0.00 51.96 53.32 2msi s ALA 48 Cb 0.02 -3.46 0.08 0.00 0.00 0.00 0.00 23.12 19.75 2msi s ALA 48 CO 0.04 -0.52 -0.04 0.08 0.00 0.00 0.00 175.76 175.31 2msi s VAL 49 N -0.50 2.18 0.83 0.00 1.01 0.83 -4.91 120.40 119.84 2msi s VAL 49 Ca 0.52 -1.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.47 2msi s VAL 49 Cb -0.37 -2.42 0.10 0.00 0.00 0.00 0.00 36.38 33.69 2msi s VAL 49 CO 0.44 -0.27 1.18 -2.84 0.00 0.00 0.00 175.10 173.61 2msi s PRO 50 N 1.04 1.49 0.12 2.72 0.02 -1.26 -0.42 135.00 138.71 2msi s PRO 50 Ca -0.01 1.67 -0.35 0.00 0.02 0.00 0.00 61.00 62.33 2msi s PRO 50 Cb -0.20 -1.77 -0.16 0.00 0.02 0.00 0.00 34.50 32.40 2msi s PRO 50 CO -0.07 -2.31 1.36 -0.11 -0.33 0.00 0.00 177.00 175.55 2msi n LEU 51 N -3.57 1.98 0.00 -5.54 0.00 -1.25 -1.71 117.00 106.91 2msi n LEU 51 Ca 0.13 1.12 0.00 0.00 0.00 0.00 0.00 56.01 57.26 2msi n LEU 51 Cb 0.51 -1.25 0.00 0.00 0.00 0.00 0.00 43.42 42.68 2msi n LEU 51 CO 0.49 -0.92 0.00 0.61 0.00 0.00 0.00 177.39 177.57 2msi n GLY 52 N 2.58 1.01 3.74 -3.96 0.00 -0.06 -4.98 105.19 103.51 2msi n GLY 52 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2msi n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2msi s THR 53 N -3.67 4.38 0.15 2.61 2.01 -0.69 -4.75 115.64 115.68 2msi s THR 53 Ca 0.00 2.07 -0.30 0.00 0.31 0.00 0.00 61.69 63.76 2msi s THR 53 Cb 0.00 -4.32 -0.08 0.00 0.01 0.00 0.00 72.50 68.11 2msi s THR 53 CO 0.00 0.37 1.30 -0.89 -0.69 0.00 0.00 174.62 174.71 2msi s THR 54 N -0.35 3.42 -0.15 -0.82 2.01 -1.26 -1.15 115.64 117.34 2msi s THR 54 Ca 0.45 1.11 -0.28 0.00 0.31 0.00 0.00 61.69 63.27 2msi s THR 54 Cb -0.24 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 2msi s THR 54 CO 0.30 0.13 0.95 -0.22 -0.69 0.00 0.00 174.62 175.10 2msi s LEU 55 N 0.37 4.20 0.15 4.42 2.96 0.05 -4.95 118.68 125.88 2msi s LEU 55 Ca 0.58 1.39 0.05 0.00 -0.22 0.00 0.00 54.13 55.93 2msi s LEU 55 Cb -0.35 -3.45 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 2msi s LEU 55 CO 0.34 -0.47 0.09 -0.04 -1.32 0.00 0.00 176.35 174.96 2msi s MET 56 N 2.26 2.78 0.31 1.98 -1.94 -1.26 -0.68 119.30 122.74 2msi s MET 56 Ca 0.44 -0.89 0.07 0.00 -1.71 0.00 0.00 55.69 53.61 2msi s MET 56 Cb -0.17 -2.59 0.81 0.00 2.01 0.00 0.00 34.83 34.88 2msi s MET 56 CO 0.14 0.49 1.75 -1.35 -0.01 0.00 0.00 175.02 176.05 2msi h PRO 57 N 2.65 0.66 0.00 2.03 0.11 -1.96 -1.57 132.00 133.92 2msi h PRO 57 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2msi h PRO 57 Cb 1.19 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2msi h PRO 57 CO 0.62 0.44 0.00 -0.40 -0.21 0.00 0.00 178.00 178.45 2msi n ASP 58 N -4.83 0.00 -0.06 -2.05 5.75 -1.26 -3.07 116.55 111.03 2msi n ASP 58 Ca 0.25 0.26 0.12 0.00 -0.01 0.00 0.00 54.79 55.41 2msi n ASP 58 Cb 0.65 -0.40 0.22 0.00 -1.03 0.00 0.00 41.12 40.56 2msi n ASP 58 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2msi n MET 59 N -1.40 0.19 -4.42 0.11 2.81 -0.59 -4.85 117.12 108.97 2msi n MET 59 Ca 0.07 -0.12 -0.34 0.00 -1.81 0.00 0.00 57.70 55.50 2msi n MET 59 Cb 0.20 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.08 2msi n MET 59 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2msi s VAL 60 N -2.89 3.33 0.08 2.03 1.01 -1.18 -0.55 120.40 122.22 2msi s VAL 60 Ca 0.13 -0.54 -0.31 0.00 0.00 0.00 0.00 61.98 61.26 2msi s VAL 60 Cb 0.18 -2.45 -0.06 0.00 0.00 0.00 0.00 36.38 34.04 2msi s VAL 60 CO 0.68 0.49 1.28 -0.54 0.00 0.00 0.00 175.10 177.01 2msi s LYS 61 N 0.70 4.38 0.00 2.72 1.02 0.90 -3.13 119.74 126.33 2msi s LYS 61 Ca -0.04 1.89 0.00 0.00 0.02 0.00 0.00 55.97 57.84 2msi s LYS 61 Cb -0.15 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.83 2msi s LYS 61 CO 0.02 -0.35 0.00 0.41 -0.92 0.00 0.00 175.35 174.52 2msi n GLY 62 N 3.35 1.06 3.75 -3.33 0.00 -1.26 -4.36 105.19 104.40 2msi n GLY 62 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2msi n GLY 62 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2msi s TYR 63 N -3.38 3.87 -0.22 1.61 5.04 -1.18 -5.02 117.35 118.07 2msi s TYR 63 Ca 0.00 1.72 -0.16 0.00 -2.44 0.00 0.00 57.07 56.18 2msi s TYR 63 Cb 0.00 -2.90 0.06 0.00 0.35 0.00 0.00 41.96 39.47 2msi s TYR 63 CO 0.00 0.38 0.56 0.00 -1.34 0.00 0.00 175.55 175.16 2msi s ALA 64 N -0.68 -1.45 0.00 3.97 0.00 -1.26 -4.97 121.76 117.38 2msi s ALA 64 Ca 0.40 1.81 0.00 0.00 0.00 0.00 0.00 51.96 54.17 2msi s ALA 64 Cb -0.23 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 21.82 2msi s ALA 64 CO 0.28 -0.30 0.00 0.00 0.00 0.00 0.00 175.76 175.74