#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6msi n ALA 1 N 0.00 0.93 -2.32 -5.12 0.00 -1.26 -5.06 120.51 107.69 6msi n ALA 1 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 6msi n ALA 1 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 6msi n ALA 1 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 6msi s GLN 2 N -0.93 4.37 0.02 0.00 -1.52 -1.26 -4.97 119.66 115.36 6msi s GLN 2 Ca 0.00 1.89 -0.07 0.00 -1.95 0.00 0.00 55.36 55.23 6msi s GLN 2 Cb 0.00 -3.37 -0.05 0.00 -0.22 0.00 0.00 33.01 29.37 6msi s GLN 2 CO 0.00 -0.38 0.29 0.00 -0.25 0.00 0.00 175.29 174.95 6msi s ALA 3 N 1.40 3.83 0.35 6.09 0.00 -1.26 -4.38 121.76 127.79 6msi s ALA 3 Ca 0.61 -0.55 0.09 0.00 0.00 0.00 0.00 51.96 52.11 6msi s ALA 3 Cb -0.32 -2.10 -0.05 0.00 0.00 0.00 0.00 23.12 20.65 6msi s ALA 3 CO 0.28 0.64 0.04 -1.12 0.00 0.00 0.00 175.76 175.61 6msi s SER 4 N -1.73 4.27 -0.02 0.00 0.01 0.32 -1.56 113.70 115.00 6msi s SER 4 Ca 0.29 -0.97 -0.30 0.00 1.31 0.00 0.00 55.95 56.28 6msi s SER 4 Cb -0.13 -0.56 -0.03 0.00 0.21 0.00 0.00 66.02 65.50 6msi s SER 4 CO 0.17 -0.27 1.09 -0.69 0.41 0.00 0.00 173.24 173.94 6msi s VAL 5 N -2.51 4.51 -0.03 3.43 1.01 -0.15 -1.47 120.40 125.19 6msi s VAL 5 Ca 0.36 1.80 0.04 0.00 0.00 0.00 0.00 61.98 64.18 6msi s VAL 5 Cb -0.00 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.22 6msi s VAL 5 CO 0.20 0.08 -0.15 -0.69 0.00 0.00 0.00 175.10 174.54 6msi s VAL 6 N 1.50 1.24 0.05 2.92 1.01 -0.52 -1.05 120.40 125.55 6msi s VAL 6 Ca 0.54 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 6msi s VAL 6 Cb -0.23 -1.06 -0.08 0.00 0.00 0.00 0.00 36.38 35.00 6msi s VAL 6 CO 0.25 0.36 1.72 0.00 0.00 0.00 0.00 175.10 177.43 6msi s ALA 7 N -0.07 3.67 -1.62 5.51 0.00 0.04 -1.15 121.76 128.13 6msi s ALA 7 Ca -0.00 1.21 0.27 0.00 0.00 0.00 0.00 51.96 53.43 6msi s ALA 7 Cb -0.09 -3.74 0.79 0.00 0.00 0.00 0.00 23.12 20.09 6msi s ALA 7 CO 0.01 -1.25 1.59 -1.71 0.00 0.00 0.00 175.76 174.40 6msi n ASN 8 N 6.20 0.86 -3.70 0.00 4.05 0.24 -0.74 115.26 122.18 6msi n ASN 8 Ca 0.17 -0.74 -0.08 0.00 0.45 0.00 0.00 54.58 54.39 6msi n ASN 8 Cb 0.41 0.11 -0.02 0.00 1.23 0.00 0.00 39.78 41.51 6msi n ASN 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 6msi s GLN 9 N -2.57 1.85 0.05 1.20 -2.07 -1.26 -4.89 119.66 111.97 6msi s GLN 9 Ca 0.23 -1.11 -0.31 0.00 -1.82 0.00 0.00 55.36 52.36 6msi s GLN 9 Cb 0.19 0.60 -0.07 0.00 -1.09 0.00 0.00 33.01 32.64 6msi s GLN 9 CO 0.54 -0.84 1.43 -1.17 -1.32 0.00 0.00 175.29 173.93 6msi s LEU 10 N -2.96 4.34 -0.41 2.60 1.98 -1.26 -3.79 118.68 119.17 6msi s LEU 10 Ca 0.13 2.23 -0.13 0.00 -2.89 0.00 0.00 54.13 53.48 6msi s LEU 10 Cb -0.05 -3.57 0.04 0.00 0.66 0.00 0.00 46.19 43.27 6msi s LEU 10 CO 0.08 -0.72 0.28 -0.63 -1.89 0.00 0.00 176.35 173.48 6msi s ILE 11 N 2.00 4.84 0.74 6.68 1.01 0.24 -4.93 121.20 131.78 6msi s ILE 11 Ca 0.65 -0.95 -0.15 0.00 0.00 0.00 0.00 60.65 60.21 6msi s ILE 11 Cb -0.34 -3.79 0.05 0.00 0.01 0.00 0.00 42.46 38.38 6msi s ILE 11 CO 0.28 -0.38 1.21 -2.84 0.00 0.00 0.00 174.94 173.21 6msi s PRO 12 N 1.58 2.05 0.35 2.79 0.02 -1.26 -0.55 135.00 139.98 6msi s PRO 12 Ca 0.03 1.77 -0.28 0.00 0.02 0.00 0.00 61.00 62.54 6msi s PRO 12 Cb -0.21 -1.82 -0.12 0.00 0.02 0.00 0.00 34.50 32.37 6msi s PRO 12 CO 0.07 -1.91 1.35 1.51 -0.33 0.00 0.00 177.00 177.69 6msi n ILE 13 N -2.81 1.95 -1.01 2.83 3.06 -1.26 -1.92 119.36 120.20 6msi n ILE 13 Ca 0.14 -0.49 -0.00 0.00 -2.50 0.00 0.00 62.75 59.90 6msi n ILE 13 Cb 0.50 -1.68 -0.00 0.00 0.54 0.00 0.00 39.64 39.00 6msi n ILE 13 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 6msi n ASN 14 N 0.76 -4.40 -4.76 9.51 5.03 -0.75 -4.96 115.26 115.70 6msi n ASN 14 Ca 0.04 0.01 -0.40 0.00 0.87 0.00 0.00 54.58 55.09 6msi n ASN 14 Cb 0.37 -1.92 -0.04 0.00 -1.02 0.00 0.00 39.78 37.17 6msi n ASN 14 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 6msi s THR 15 N -1.55 3.33 -0.02 3.41 2.01 -0.81 -4.70 115.64 117.31 6msi s THR 15 Ca 0.00 1.33 -0.28 0.00 0.31 0.00 0.00 61.69 63.06 6msi s THR 15 Cb 0.00 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 6msi s THR 15 CO 0.00 0.32 0.88 -0.13 -0.69 0.00 0.00 174.62 175.00 6msi s ARG 16 N -1.49 4.52 0.26 4.92 0.52 -1.26 -1.85 118.95 124.58 6msi s ARG 16 Ca 0.46 1.24 -0.30 0.00 -0.52 0.00 0.00 55.73 56.61 6msi s ARG 16 Cb -0.34 -3.45 -0.10 0.00 0.52 0.00 0.00 34.95 31.58 6msi s ARG 16 CO 0.43 -0.01 1.32 -0.51 0.02 0.00 0.00 175.30 176.56 6msi s LEU 17 N 0.93 4.42 0.34 2.53 1.43 0.64 -4.77 118.68 124.19 6msi s LEU 17 Ca 0.47 2.55 0.10 0.00 -1.03 0.00 0.00 54.13 56.22 6msi s LEU 17 Cb -0.20 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.33 6msi s LEU 17 CO 0.25 -0.54 -0.08 0.42 0.23 0.00 0.00 176.35 176.63 6msi s THR 18 N -0.46 2.39 0.41 5.49 -4.23 -1.26 -0.72 115.64 117.25 6msi s THR 18 Ca 0.53 -2.16 0.10 0.00 -1.18 0.00 0.00 61.69 58.98 6msi s THR 18 Cb -0.38 -2.66 0.30 0.00 1.34 0.00 0.00 72.50 71.10 6msi s THR 18 CO 0.45 -0.22 2.00 -0.07 -0.54 0.00 0.00 174.62 176.24 6msi h LEU 19 N 1.99 0.47 -0.08 4.79 3.38 -1.95 -1.14 115.31 122.77 6msi h LEU 19 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 6msi h LEU 19 Cb 1.25 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.90 6msi h LEU 19 CO 0.68 0.31 0.00 1.33 0.09 0.00 0.00 178.44 180.86 6msi n VAL 20 N -4.47 0.71 1.24 1.22 0.24 -1.26 -2.79 118.33 113.22 6msi n VAL 20 Ca 0.08 0.16 0.14 0.00 -2.04 0.00 0.00 64.34 62.67 6msi n VAL 20 Cb 0.23 -0.88 0.54 0.00 -1.47 0.00 0.00 33.84 32.27 6msi n VAL 20 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 6msi n MET 21 N -1.62 0.41 -4.14 7.34 2.81 -0.43 -4.69 117.12 116.80 6msi n MET 21 Ca 0.04 -0.14 -0.27 0.00 -1.81 0.00 0.00 57.70 55.52 6msi n MET 21 Cb 0.23 -1.50 -0.17 0.00 -0.71 0.00 0.00 33.22 31.08 6msi n MET 21 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 6msi s MET 22 N -2.69 1.73 0.44 0.03 -1.94 -1.12 -0.59 119.30 115.17 6msi s MET 22 Ca 0.22 -0.36 0.06 0.00 -1.71 0.00 0.00 55.69 53.90 6msi s MET 22 Cb 0.19 -1.63 -0.04 0.00 2.01 0.00 0.00 34.83 35.36 6msi s MET 22 CO 0.53 -0.17 0.16 -0.98 -0.01 0.00 0.00 175.02 174.55 6msi s ARG 23 N 1.35 2.19 -0.11 2.03 1.70 -0.30 -4.89 118.95 120.91 6msi s ARG 23 Ca -0.01 -1.98 -0.00 0.00 -0.47 0.00 0.00 55.73 53.27 6msi s ARG 23 Cb -0.14 -1.89 -0.02 0.00 -0.57 0.00 0.00 34.95 32.33 6msi s ARG 23 CO -0.05 -0.21 -0.11 0.45 -1.08 0.00 0.00 175.30 174.30 6msi s SER 24 N -3.93 4.25 -0.10 -2.89 0.15 -1.26 -1.43 113.70 108.49 6msi s SER 24 Ca 0.34 -0.23 -0.22 0.00 0.70 0.00 0.00 55.95 56.55 6msi s SER 24 Cb 0.04 -1.46 0.05 0.00 -1.71 0.00 0.00 66.02 62.94 6msi s SER 24 CO 0.19 0.22 0.53 -0.70 1.20 0.00 0.00 173.24 174.68 6msi s GLU 25 N 0.02 0.79 -0.36 5.44 2.12 -0.54 -4.94 118.70 121.23 6msi s GLU 25 Ca -0.03 0.32 -0.20 0.00 0.36 0.00 0.00 54.97 55.42 6msi s GLU 25 Cb -0.14 0.37 0.00 0.00 0.26 0.00 0.00 34.13 34.62 6msi s GLU 25 CO 0.04 -0.19 0.60 0.14 -0.54 0.00 0.00 175.26 175.31 6msi s VAL 26 N -0.68 4.92 0.08 3.70 -7.23 -1.26 -0.52 120.40 119.41 6msi s VAL 26 Ca -0.08 0.51 0.01 0.00 -1.81 0.00 0.00 61.98 60.61 6msi s VAL 26 Cb -0.03 -4.05 -0.04 0.00 0.56 0.00 0.00 36.38 32.82 6msi s VAL 26 CO 0.05 -0.29 -0.06 0.68 -0.31 0.00 0.00 175.10 175.17 6msi s VAL 27 N 2.63 0.56 -0.05 1.32 -7.23 -1.26 -4.99 120.40 111.38 6msi s VAL 27 Ca 0.23 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 58.56 6msi s VAL 27 Cb -0.15 -1.60 0.01 0.00 0.56 0.00 0.00 36.38 35.20 6msi s VAL 27 CO 0.14 -0.89 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.03 6msi s THR 28 N -3.62 1.09 0.97 5.32 2.01 -1.26 -4.03 115.64 116.12 6msi s THR 28 Ca 0.10 -0.50 -0.11 0.00 0.31 0.00 0.00 61.69 61.49 6msi s THR 28 Cb 0.05 -0.98 0.17 0.00 0.01 0.00 0.00 72.50 71.76 6msi s THR 28 CO -0.06 0.33 1.09 -2.16 -0.69 0.00 0.00 174.62 173.14 6msi s PRO 29 N 0.36 0.64 0.33 4.92 0.04 -1.26 -5.12 135.00 134.92 6msi s PRO 29 Ca -0.08 1.09 -0.26 0.00 0.04 0.00 0.00 61.00 61.79 6msi s PRO 29 Cb -0.12 -1.72 -0.10 0.00 0.04 0.00 0.00 34.50 32.60 6msi s PRO 29 CO 0.02 -2.74 0.96 0.08 0.04 0.00 0.00 177.00 175.36 6msi s VAL 30 N -2.71 4.14 0.00 -0.36 1.01 -1.26 -5.03 120.40 116.19 6msi s VAL 30 Ca 0.66 1.75 0.00 0.00 0.00 0.00 0.00 61.98 64.39 6msi s VAL 30 Cb -0.21 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.20 6msi s VAL 30 CO 0.59 0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.43 6msi n GLY 31 N 0.53 4.40 3.74 4.51 0.00 -1.26 -5.02 105.19 112.09 6msi n GLY 31 Ca 0.02 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 6msi n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 6msi s ILE 32 N 3.04 2.49 0.29 -0.61 1.01 0.17 -4.85 121.20 122.75 6msi s ILE 32 Ca 0.00 0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.74 6msi s ILE 32 Cb 0.00 -3.25 -0.12 0.00 0.01 0.00 0.00 42.46 39.10 6msi s ILE 32 CO 0.00 0.05 1.52 -2.65 0.00 0.00 0.00 174.94 173.87 6msi n PRO 33 N 2.71 2.50 -0.03 2.79 -0.02 -1.26 -0.97 135.00 140.71 6msi n PRO 33 Ca 0.09 0.89 0.22 0.00 -2.02 0.00 0.00 63.50 62.68 6msi n PRO 33 Cb 0.39 -2.62 0.71 0.00 -0.02 0.00 0.00 33.50 31.96 6msi n PRO 33 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 6msi h ALA 34 N 4.38 2.54 0.00 3.55 0.00 -1.52 0.57 119.26 128.77 6msi h ALA 34 Ca -0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 6msi h ALA 34 Cb 1.24 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 6msi h ALA 34 CO 0.76 -0.77 -0.02 0.93 0.00 0.00 0.00 179.25 180.15 6msi h GLU 35 N 0.00 0.00 0.00 0.00 3.07 -1.89 -2.27 114.58 113.49 6msi h GLU 35 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 6msi h GLU 35 Cb 1.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 6msi h GLU 35 CO -0.00 0.02 0.00 -0.25 -1.40 0.00 0.00 179.01 177.38 6msi n ASP 36 N -4.43 0.00 -0.24 1.42 8.00 0.19 -4.24 116.55 117.25 6msi n ASP 36 Ca -0.03 -0.77 0.05 0.00 0.71 0.00 0.00 54.79 54.75 6msi n ASP 36 Cb 0.11 -0.07 0.17 0.00 -0.02 0.00 0.00 41.12 41.30 6msi n ASP 36 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 6msi h ILE 37 N 0.00 0.55 -0.87 0.53 2.04 -1.56 -0.76 117.51 117.44 6msi h ILE 37 Ca 0.00 -0.10 0.17 0.00 1.00 0.00 0.00 64.86 65.93 6msi h ILE 37 Cb 0.07 0.24 -0.16 0.00 -0.74 0.00 0.00 36.82 36.23 6msi h ILE 37 CO 0.00 0.05 -0.24 -0.65 0.00 0.00 0.00 178.15 177.31 6msi h PRO 38 N 0.28 -0.01 0.00 2.37 0.11 -1.86 -1.74 132.00 131.16 6msi h PRO 38 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 6msi h PRO 38 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 6msi h PRO 38 CO -0.48 -0.01 0.00 0.00 -0.21 0.00 0.00 178.00 177.30 6msi n ALA 39 N -3.43 1.96 0.16 -0.75 0.00 -0.32 -3.33 120.51 114.80 6msi n ALA 39 Ca 0.12 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.61 6msi n ALA 39 Cb 0.43 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 6msi n ALA 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 6msi n LEU 40 N -1.56 0.67 -4.74 0.00 4.77 -0.66 -4.86 117.00 110.64 6msi n LEU 40 Ca 0.05 0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.84 6msi n LEU 40 Cb 0.25 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 6msi n LEU 40 CO 0.20 -0.13 1.30 -0.69 -1.33 0.00 0.00 177.39 176.74 6msi s VAL 41 N -3.36 2.07 0.00 4.08 1.01 -1.21 -1.22 120.40 121.76 6msi s VAL 41 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.03 6msi s VAL 41 Cb 0.11 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.45 6msi s VAL 41 CO 0.81 0.01 0.00 -1.20 0.00 0.00 0.00 175.10 174.71 6msi n SER 42 N 3.04 0.00 -4.85 3.32 7.64 0.10 -4.93 113.62 117.94 6msi n SER 42 Ca 0.12 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.67 6msi n SER 42 Cb 0.36 -0.11 -0.06 0.00 -1.01 0.00 0.00 64.21 63.39 6msi n SER 42 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 6msi s MET 43 N -0.04 4.01 -0.08 1.43 1.00 -0.36 -4.59 119.30 120.66 6msi s MET 43 Ca 0.00 0.62 -0.12 0.00 0.00 0.00 0.00 55.69 56.19 6msi s MET 43 Cb 0.00 -2.58 -0.05 0.00 0.00 0.00 0.00 34.83 32.20 6msi s MET 43 CO 0.00 0.25 0.29 -1.14 0.00 0.00 0.00 175.02 174.42 6msi s GLN 44 N -2.71 3.82 0.19 2.03 0.74 -1.26 -0.26 119.66 122.20 6msi s GLN 44 Ca 0.50 0.15 -0.16 0.00 0.05 0.00 0.00 55.36 55.90 6msi s GLN 44 Cb -0.12 -3.25 -0.08 0.00 1.10 0.00 0.00 33.01 30.66 6msi s GLN 44 CO 0.19 0.63 0.63 0.14 -0.55 0.00 0.00 175.29 176.33 6msi s VAL 45 N -0.75 4.73 -2.30 1.34 -7.23 -0.77 -0.71 120.40 114.72 6msi s VAL 45 Ca 0.19 1.01 0.21 0.00 -1.81 0.00 0.00 61.98 61.58 6msi s VAL 45 Cb -0.14 -3.77 0.47 0.00 0.56 0.00 0.00 36.38 33.49 6msi s VAL 45 CO 0.08 0.19 1.45 -0.46 -0.31 0.00 0.00 175.10 176.05 6msi n ASN 46 N 0.67 3.07 -3.67 4.85 0.23 0.21 -1.80 115.26 118.82 6msi n ASN 46 Ca -0.03 -1.94 -0.10 0.00 -0.53 0.00 0.00 54.58 51.97 6msi n ASN 46 Cb 0.52 -0.27 -0.04 0.00 -2.08 0.00 0.00 39.78 37.91 6msi n ASN 46 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 6msi s ARG 47 N -1.46 1.24 0.15 -3.83 1.70 -1.26 -4.79 118.95 110.71 6msi s ARG 47 Ca 0.38 -0.77 -0.30 0.00 -0.47 0.00 0.00 55.73 54.57 6msi s ARG 47 Cb 0.21 0.50 -0.08 0.00 -0.57 0.00 0.00 34.95 35.02 6msi s ARG 47 CO 0.30 -0.51 1.30 0.00 -1.08 0.00 0.00 175.30 175.30 6msi s ALA 48 N -3.84 3.51 -0.34 7.88 0.00 -1.26 -4.24 121.76 123.47 6msi s ALA 48 Ca 0.06 1.05 -0.02 0.00 0.00 0.00 0.00 51.96 53.05 6msi s ALA 48 Cb 0.00 -3.48 0.07 0.00 0.00 0.00 0.00 23.12 19.71 6msi s ALA 48 CO -0.07 -0.52 0.07 0.08 0.00 0.00 0.00 175.76 175.32 6msi s VAL 49 N 0.49 3.05 0.64 0.00 1.01 0.29 -4.93 120.40 120.95 6msi s VAL 49 Ca 0.59 -1.64 -0.18 0.00 0.00 0.00 0.00 61.98 60.75 6msi s VAL 49 Cb -0.35 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 6msi s VAL 49 CO 0.34 -0.32 1.22 -2.84 0.00 0.00 0.00 175.10 173.51 6msi s PRO 50 N 1.20 2.69 0.07 2.72 0.02 -1.26 -0.59 135.00 139.84 6msi s PRO 50 Ca -0.00 1.85 -0.37 0.00 0.02 0.00 0.00 61.00 62.50 6msi s PRO 50 Cb -0.21 -1.89 -0.18 0.00 0.02 0.00 0.00 34.50 32.25 6msi s PRO 50 CO -0.02 -1.44 1.22 -0.11 -0.33 0.00 0.00 177.00 176.32 6msi n LEU 51 N -1.94 1.07 0.00 -5.54 7.94 -1.25 -1.57 117.00 115.72 6msi n LEU 51 Ca 0.14 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.17 6msi n LEU 51 Cb 0.49 -1.11 0.00 0.00 0.53 0.00 0.00 43.42 43.34 6msi n LEU 51 CO 0.46 -1.38 0.00 0.61 -1.11 0.00 0.00 177.39 175.97 6msi n GLY 52 N 2.15 0.83 3.78 -3.96 0.00 0.08 -4.99 105.19 103.08 6msi n GLY 52 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 6msi n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 6msi s THR 53 N -3.26 4.49 0.09 2.61 2.01 -0.61 -4.73 115.64 116.24 6msi s THR 53 Ca 0.00 1.58 -0.31 0.00 0.31 0.00 0.00 61.69 63.27 6msi s THR 53 Cb 0.00 -4.08 -0.07 0.00 0.01 0.00 0.00 72.50 68.36 6msi s THR 53 CO 0.00 0.52 1.30 -0.89 -0.69 0.00 0.00 174.62 174.85 6msi s THR 54 N -1.03 3.65 -0.14 -0.82 2.01 -1.26 -0.78 115.64 117.26 6msi s THR 54 Ca 0.34 1.19 -0.29 0.00 0.31 0.00 0.00 61.69 63.24 6msi s THR 54 Cb -0.22 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 6msi s THR 54 CO 0.24 0.09 1.15 -0.76 -0.69 0.00 0.00 174.62 174.66 6msi s LEU 55 N 1.06 4.20 0.18 4.42 1.02 -0.22 -4.93 118.68 124.41 6msi s LEU 55 Ca 0.62 1.63 0.04 0.00 0.02 0.00 0.00 54.13 56.44 6msi s LEU 55 Cb -0.33 -3.55 -0.03 0.00 0.02 0.00 0.00 46.19 42.29 6msi s LEU 55 CO 0.30 -0.63 0.26 -0.04 0.02 0.00 0.00 176.35 176.25 6msi s MET 56 N 2.79 3.26 0.27 1.70 -1.94 -1.26 -0.65 119.30 123.47 6msi s MET 56 Ca 0.52 -0.75 0.01 0.00 -1.71 0.00 0.00 55.69 53.75 6msi s MET 56 Cb -0.20 -2.83 0.61 0.00 2.01 0.00 0.00 34.83 34.41 6msi s MET 56 CO 0.15 0.48 1.73 -1.35 -0.01 0.00 0.00 175.02 176.02 6msi h PRO 57 N 1.90 0.48 0.00 2.03 0.11 -1.95 -1.33 132.00 133.24 6msi h PRO 57 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 6msi h PRO 57 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 6msi h PRO 57 CO 0.65 0.32 0.00 -0.40 -0.21 0.00 0.00 178.00 178.35 6msi n ASP 58 N -4.97 0.00 0.00 -2.05 5.75 -1.26 -2.78 116.55 111.24 6msi n ASP 58 Ca 0.19 -0.12 0.11 0.00 -0.01 0.00 0.00 54.79 54.96 6msi n ASP 58 Cb 0.53 -0.20 0.04 0.00 -1.03 0.00 0.00 41.12 40.46 6msi n ASP 58 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 6msi n MET 59 N -1.20 0.05 -4.03 0.11 2.81 -0.50 -4.87 117.12 109.49 6msi n MET 59 Ca 0.09 -0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.63 6msi n MET 59 Cb 0.11 -1.51 -0.14 0.00 -0.71 0.00 0.00 33.22 30.97 6msi n MET 59 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 6msi s VAL 60 N -3.03 3.35 0.03 2.03 1.01 -1.12 -0.61 120.40 122.05 6msi s VAL 60 Ca 0.08 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 6msi s VAL 60 Cb 0.16 -2.51 -0.07 0.00 0.00 0.00 0.00 36.38 33.97 6msi s VAL 60 CO 0.80 0.44 1.48 -0.54 0.00 0.00 0.00 175.10 177.28 6msi s LYS 61 N 1.30 4.26 0.00 2.72 1.02 0.11 -2.64 119.74 126.51 6msi s LYS 61 Ca 0.04 2.09 0.00 0.00 0.02 0.00 0.00 55.97 58.12 6msi s LYS 61 Cb -0.14 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.62 6msi s LYS 61 CO -0.02 -0.61 0.00 0.41 -0.92 0.00 0.00 175.35 174.20 6msi n GLY 62 N 3.74 0.82 3.68 -3.33 0.00 -1.26 -4.40 105.19 104.44 6msi n GLY 62 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 6msi n GLY 62 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 6msi s TYR 63 N -3.25 3.31 -0.14 1.61 5.04 -1.08 -4.97 117.35 117.87 6msi s TYR 63 Ca 0.00 1.39 -0.06 0.00 -2.44 0.00 0.00 57.07 55.96 6msi s TYR 63 Cb 0.00 -3.31 0.06 0.00 0.35 0.00 0.00 41.96 39.06 6msi s TYR 63 CO 0.00 -0.79 0.31 0.00 -1.34 0.00 0.00 175.55 173.73 6msi s ALA 64 N 2.36 -0.74 0.00 3.97 0.00 -1.26 -4.97 121.76 121.12 6msi s ALA 64 Ca 0.51 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.64 6msi s ALA 64 Cb -0.20 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.04 6msi s ALA 64 CO 0.18 -0.38 0.00 0.00 0.00 0.00 0.00 175.76 175.55