#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gun s ILE 3 N 0.00 2.48 0.55 0.44 2.07 -1.26 -5.05 121.20 120.43 1gun s ILE 3 Ca 0.00 -1.54 0.26 0.00 -1.41 0.00 0.00 60.65 57.96 1gun s ILE 3 Cb 0.00 -2.08 0.38 0.00 0.13 0.00 0.00 42.46 40.89 1gun s ILE 3 CO 0.00 0.18 2.02 0.77 -1.91 0.00 0.00 174.94 176.00 1gun h SER 4 N 4.09 0.00 -2.26 4.50 4.64 -2.04 -3.41 113.55 119.08 1gun h SER 4 Ca -0.49 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.27 1gun h SER 4 Cb 1.16 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1gun h SER 4 CO 0.43 0.00 1.33 0.00 -0.87 0.00 0.00 176.83 177.72 1gun s ALA 5 N -4.86 3.20 -1.46 5.18 0.00 -1.26 -4.83 121.76 117.72 1gun s ALA 5 Ca -0.05 1.02 0.29 0.00 0.00 0.00 0.00 51.96 53.21 1gun s ALA 5 Cb 0.18 -3.94 1.21 0.00 0.00 0.00 0.00 23.12 20.57 1gun s ALA 5 CO 0.65 -2.11 1.86 0.54 0.00 0.00 0.00 175.76 176.70 1gun n ARG 6 N 8.05 0.49 -3.60 0.00 1.74 -1.26 -4.71 116.66 117.37 1gun n ARG 6 Ca 0.24 -0.14 -0.40 0.00 -0.77 0.00 0.00 57.85 56.78 1gun n ARG 6 Cb 0.43 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.26 1gun n ARG 6 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1gun s ASN 7 N -2.61 5.72 -0.19 0.55 0.01 -1.21 -5.05 114.94 112.17 1gun s ASN 7 Ca 0.25 -0.91 -0.01 0.00 -0.71 0.00 0.00 52.86 51.48 1gun s ASN 7 Cb 0.20 -2.03 0.05 0.00 0.41 0.00 0.00 41.25 39.88 1gun s ASN 7 CO 0.50 -0.36 -0.03 -1.10 -1.51 0.00 0.00 177.10 174.61 1gun s GLN 8 N 1.57 1.23 -0.26 -0.60 -0.21 -1.26 -2.21 119.66 117.92 1gun s GLN 8 Ca 0.03 -0.57 0.03 0.00 0.02 0.00 0.00 55.36 54.86 1gun s GLN 8 Cb -0.19 -2.13 0.06 0.00 1.00 0.00 0.00 33.01 31.75 1gun s GLN 8 CO 0.07 -0.52 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.10 1gun s LEU 9 N 1.65 3.36 0.47 2.90 1.43 -0.50 -4.95 118.68 123.05 1gun s LEU 9 Ca -0.01 -1.37 -0.22 0.00 -1.03 0.00 0.00 54.13 51.49 1gun s LEU 9 Cb -0.16 -1.52 -0.07 0.00 0.03 0.00 0.00 46.19 44.47 1gun s LEU 9 CO -0.07 -0.19 1.13 -0.54 0.23 0.00 0.00 176.35 176.90 1gun s LYS 10 N 1.13 3.73 0.22 1.70 1.02 -1.26 -1.74 119.74 124.54 1gun s LYS 10 Ca -0.09 1.66 -0.21 0.00 0.02 0.00 0.00 55.97 57.36 1gun s LYS 10 Cb -0.20 -2.31 0.07 0.00 -0.52 0.00 0.00 37.83 34.88 1gun s LYS 10 CO -0.05 -0.55 1.01 0.20 -0.92 0.00 0.00 175.35 175.04 1gun s GLY 11 N -1.54 0.19 0.01 -3.33 0.00 0.58 -4.37 107.32 98.86 1gun s GLY 11 Ca 0.65 -0.45 0.08 0.00 0.00 0.00 0.00 44.72 45.00 1gun s GLY 11 CO 0.30 2.42 -0.24 1.25 0.00 0.00 0.00 173.10 176.83 1gun s LYS 12 N -2.06 2.04 -0.03 2.90 2.20 -0.77 -1.37 119.74 122.64 1gun s LYS 12 Ca 0.22 -0.98 -0.30 0.00 -0.36 0.00 0.00 55.97 54.56 1gun s LYS 12 Cb -0.03 -2.07 -0.05 0.00 -1.51 0.00 0.00 37.83 34.17 1gun s LYS 12 CO 0.06 0.55 1.46 0.08 -0.36 0.00 0.00 175.35 177.15 1gun s VAL 13 N -0.73 3.71 -0.14 4.02 1.01 -0.17 -0.35 120.40 127.74 1gun s VAL 13 Ca 0.11 1.01 0.01 0.00 0.00 0.00 0.00 61.98 63.12 1gun s VAL 13 Cb -0.10 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1gun s VAL 13 CO 0.01 -0.04 0.41 1.33 0.00 0.00 0.00 175.10 176.81 1gun n VAL 14 N 4.98 0.00 -3.64 2.92 0.24 0.10 -0.97 118.33 121.96 1gun n VAL 14 Ca 0.14 -0.49 -0.14 0.00 -2.04 0.00 0.00 64.34 61.81 1gun n VAL 14 Cb 0.43 1.02 -0.08 0.00 -1.47 0.00 0.00 33.84 33.75 1gun n VAL 14 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1gun s GLY 15 N -0.39 -0.48 -0.19 7.63 0.00 -1.13 -4.96 107.32 107.81 1gun s GLY 15 Ca 0.01 1.68 -0.08 0.00 0.00 0.00 0.00 44.72 46.33 1gun s GLY 15 CO 0.03 1.42 0.43 -2.27 0.00 0.00 0.00 173.10 172.70 1gun s LEU 16 N 0.07 -0.37 -0.06 0.66 2.96 -1.26 -1.05 118.68 119.64 1gun s LEU 16 Ca -0.02 0.96 -0.01 0.00 -0.22 0.00 0.00 54.13 54.84 1gun s LEU 16 Cb -0.04 1.39 0.03 0.00 0.50 0.00 0.00 46.19 48.07 1gun s LEU 16 CO 0.02 -0.21 0.02 -0.75 -1.32 0.00 0.00 176.35 174.11 1gun s LYS 17 N 1.94 0.38 -0.20 1.98 2.20 -0.60 -5.00 119.74 120.43 1gun s LYS 17 Ca -0.06 0.17 -0.11 0.00 -0.36 0.00 0.00 55.97 55.61 1gun s LYS 17 Cb -0.10 -0.77 -0.05 0.00 -1.51 0.00 0.00 37.83 35.40 1gun s LYS 17 CO -0.13 -0.28 0.17 0.15 -0.36 0.00 0.00 175.35 174.90 1gun s LYS 18 N 1.85 4.18 0.00 4.03 1.02 -1.26 -0.98 119.74 128.58 1gun s LYS 18 Ca 0.02 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 55.84 1gun s LYS 18 Cb -0.12 -3.45 0.00 0.00 -0.52 0.00 0.00 37.83 33.74 1gun s LYS 18 CO -0.04 0.23 0.00 0.41 -0.92 0.00 0.00 175.35 175.03 1gun n GLY 19 N 3.67 2.32 0.13 -3.33 0.00 -0.01 -5.01 105.19 102.96 1gun n GLY 19 Ca -0.15 -2.13 -0.19 0.00 0.00 0.00 0.00 46.02 43.56 1gun n GLY 19 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1gun h VAL 20 N 0.12 1.47 0.00 1.61 2.07 -2.02 -3.42 116.25 116.08 1gun h VAL 20 Ca 0.00 -2.33 -0.20 0.00 0.82 0.00 0.00 66.70 64.99 1gun h VAL 20 Cb 0.00 2.92 -0.04 0.00 -1.52 0.00 0.00 31.29 32.66 1gun h VAL 20 CO 0.00 0.67 -1.75 0.52 0.02 0.00 0.00 177.57 177.03 1gun n VAL 21 N -4.16 0.75 -4.14 2.57 0.31 -1.26 -4.87 118.33 107.53 1gun n VAL 21 Ca -0.12 -0.37 -0.25 0.00 -0.01 0.00 0.00 64.34 63.59 1gun n VAL 21 Cb 0.76 -0.86 -0.07 0.00 -0.91 0.00 0.00 33.84 32.76 1gun n VAL 21 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1gun s THR 22 N -2.26 2.33 0.01 2.52 -4.23 -1.26 -0.82 115.64 111.93 1gun s THR 22 Ca -0.12 -1.71 -0.08 0.00 -1.18 0.00 0.00 61.69 58.60 1gun s THR 22 Cb 0.04 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.89 1gun s THR 22 CO 0.37 -0.01 0.15 0.00 -0.54 0.00 0.00 174.62 174.58 1gun s ALA 23 N -2.59 -0.31 -0.16 3.99 0.00 0.01 -0.83 121.76 121.87 1gun s ALA 23 Ca 0.41 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 52.14 1gun s ALA 23 Cb 0.04 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.31 1gun s ALA 23 CO 0.22 -0.25 -0.10 -2.00 0.00 0.00 0.00 175.76 173.63 1gun s GLU 24 N -1.78 3.37 -0.10 0.00 2.12 -0.15 -1.40 118.70 120.76 1gun s GLU 24 Ca -0.12 -0.67 0.03 0.00 0.36 0.00 0.00 54.97 54.58 1gun s GLU 24 Cb -0.05 -2.76 -0.00 0.00 0.26 0.00 0.00 34.13 31.57 1gun s GLU 24 CO -0.00 0.06 -0.21 0.08 -0.54 0.00 0.00 175.26 174.65 1gun s VAL 25 N 0.76 2.31 -0.17 3.70 1.01 -0.17 -1.56 120.40 126.27 1gun s VAL 25 Ca -0.04 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 1gun s VAL 25 Cb -0.15 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 1gun s VAL 25 CO 0.01 0.55 -0.09 -0.69 0.00 0.00 0.00 175.10 174.88 1gun s VAL 26 N 0.31 3.20 -0.09 2.92 1.01 -0.21 -0.91 120.40 126.63 1gun s VAL 26 Ca -0.16 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1gun s VAL 26 Cb -0.17 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1gun s VAL 26 CO 0.08 0.49 -0.08 -0.76 0.00 0.00 0.00 175.10 174.82 1gun s LEU 27 N 0.81 3.06 -0.23 3.92 1.43 0.08 -0.72 118.68 127.03 1gun s LEU 27 Ca -0.03 -0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 52.83 1gun s LEU 27 Cb -0.15 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1gun s LEU 27 CO 0.01 0.30 0.29 -0.70 0.23 0.00 0.00 176.35 176.49 1gun s GLU 28 N -0.45 4.11 0.38 1.70 2.12 0.52 -0.71 118.70 126.36 1gun s GLU 28 Ca 0.06 -0.02 0.02 0.00 0.36 0.00 0.00 54.97 55.40 1gun s GLU 28 Cb -0.12 -3.55 0.02 0.00 0.26 0.00 0.00 34.13 30.74 1gun s GLU 28 CO 0.02 -0.03 0.20 0.44 -0.54 0.00 0.00 175.26 175.35 1gun n ILE 29 N 4.42 0.00 -1.61 -3.70 -5.35 -0.62 -1.85 119.36 110.65 1gun n ILE 29 Ca -0.11 -1.58 -0.56 0.00 -0.27 0.00 0.00 62.75 60.23 1gun n ILE 29 Cb 0.51 -0.01 -0.08 0.00 -1.74 0.00 0.00 39.64 38.32 1gun n ILE 29 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gun n ALA 30 N -2.10 0.16 -0.07 -1.28 0.00 -1.26 -0.93 120.51 115.02 1gun n ALA 30 Ca -0.13 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1gun n ALA 30 Cb 0.44 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1gun n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gun n GLY 31 N 5.05 0.89 3.09 0.00 0.00 -1.26 -4.26 105.19 108.70 1gun n GLY 31 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1gun n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gun n GLY 32 N -2.06 1.95 3.50 -0.02 0.00 -0.11 -4.97 105.19 103.47 1gun n GLY 32 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1gun n GLY 32 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gun n ASN 33 N 0.00 -0.68 -4.28 1.61 3.02 -1.24 -4.74 115.26 108.96 1gun n ASN 33 Ca 0.00 0.71 -0.32 0.00 -0.03 0.00 0.00 54.58 54.93 1gun n ASN 33 Cb 0.00 -1.24 -0.16 0.00 -0.61 0.00 0.00 39.78 37.77 1gun n ASN 33 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1gun s LYS 34 N -2.45 3.16 -0.19 3.52 1.02 -1.26 -1.59 119.74 121.95 1gun s LYS 34 Ca 0.70 -0.81 -0.07 0.00 0.02 0.00 0.00 55.97 55.81 1gun s LYS 34 Cb -0.41 -2.42 -0.04 0.00 -0.52 0.00 0.00 37.83 34.44 1gun s LYS 34 CO 0.53 0.20 0.04 0.42 -0.92 0.00 0.00 175.35 175.63 1gun s ILE 35 N 0.32 4.54 -0.15 2.17 -1.09 0.11 -4.94 121.20 122.15 1gun s ILE 35 Ca -0.15 -0.12 -0.04 0.00 -2.23 0.00 0.00 60.65 58.10 1gun s ILE 35 Cb -0.17 -3.05 -0.03 0.00 -1.58 0.00 0.00 42.46 37.63 1gun s ILE 35 CO 0.08 0.45 -0.00 -0.89 -1.23 0.00 0.00 174.94 173.34 1gun s THR 36 N 0.57 4.22 -0.03 2.92 2.01 -1.26 -0.74 115.64 123.33 1gun s THR 36 Ca 0.02 -0.25 0.06 0.00 0.31 0.00 0.00 61.69 61.83 1gun s THR 36 Cb -0.13 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.52 1gun s THR 36 CO 0.01 0.50 -0.20 -0.55 -0.69 0.00 0.00 174.62 173.70 1gun s SER 37 N 0.15 2.36 -0.19 3.53 0.15 -0.08 -5.00 113.70 114.62 1gun s SER 37 Ca 0.01 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1gun s SER 37 Cb -0.13 -0.42 0.02 0.00 -1.71 0.00 0.00 66.02 63.78 1gun s SER 37 CO 0.02 0.22 -0.17 -0.63 1.20 0.00 0.00 173.24 173.87 1gun s ILE 38 N -0.29 2.25 0.11 6.45 1.01 -1.26 -1.00 121.20 128.47 1gun s ILE 38 Ca 0.03 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.79 1gun s ILE 38 Cb -0.09 -1.97 -0.00 0.00 0.01 0.00 0.00 42.46 40.40 1gun s ILE 38 CO 0.01 0.50 0.04 2.30 0.00 0.00 0.00 174.94 177.79 1gun n ILE 39 N 4.64 0.00 -2.50 2.92 -5.35 -0.49 -4.96 119.36 113.62 1gun n ILE 39 Ca -0.20 -0.63 -0.37 0.00 -0.27 0.00 0.00 62.75 61.27 1gun n ILE 39 Cb 0.50 0.23 -0.04 0.00 -1.74 0.00 0.00 39.64 38.59 1gun n ILE 39 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1gun s SER 40 N -1.67 6.80 0.29 7.28 1.04 -1.26 -0.81 113.70 125.37 1gun s SER 40 Ca 0.05 2.12 -0.01 0.00 0.48 0.00 0.00 55.95 58.59 1gun s SER 40 Cb 0.00 -2.60 0.46 0.00 0.10 0.00 0.00 66.02 63.99 1gun s SER 40 CO 0.04 -0.46 1.93 0.25 0.98 0.00 0.00 173.24 175.97 1gun h LEU 41 N 2.73 0.96 -1.09 2.42 5.85 -1.18 -2.21 115.31 122.79 1gun h LEU 41 Ca -0.48 -0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.38 1gun h LEU 41 Cb 1.22 -0.22 -0.09 0.00 0.37 0.00 0.00 40.66 41.94 1gun h LEU 41 CO 0.63 0.65 0.61 0.44 -0.34 0.00 0.00 178.44 180.44 1gun h ASP 42 N 1.11 0.82 -0.05 1.25 5.19 -1.92 -2.57 116.42 120.26 1gun h ASP 42 Ca 0.36 0.06 -0.15 0.00 -0.62 0.00 0.00 57.03 56.68 1gun h ASP 42 Cb 0.05 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 1gun h ASP 42 CO -0.11 0.40 -0.49 0.28 -3.12 0.00 0.00 179.24 176.19 1gun h SER 43 N 0.86 0.67 -0.60 6.45 0.02 -1.78 -1.67 113.55 117.49 1gun h SER 43 Ca 0.51 -0.33 0.03 0.00 -0.84 0.00 0.00 61.79 61.15 1gun h SER 43 Cb 0.66 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 1gun h SER 43 CO -0.28 1.05 0.36 -0.37 -1.14 0.00 0.00 176.83 176.45 1gun h VAL 44 N 0.48 1.06 -0.34 2.27 -1.51 -1.40 0.22 116.25 117.03 1gun h VAL 44 Ca 0.02 -0.25 -0.01 0.00 -1.23 0.00 0.00 66.70 65.23 1gun h VAL 44 Cb 1.03 0.28 -0.02 0.00 -2.13 0.00 0.00 31.29 30.46 1gun h VAL 44 CO 0.10 0.13 0.16 -0.33 -1.23 0.00 0.00 177.57 176.40 1gun h GLU 45 N 0.72 0.50 -0.23 5.19 5.08 -1.47 -0.28 114.58 124.08 1gun h GLU 45 Ca 0.25 -0.08 -0.17 0.00 -1.00 0.00 0.00 59.36 58.36 1gun h GLU 45 Cb 0.04 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1gun h GLU 45 CO -0.11 0.46 -0.54 0.93 -1.00 0.00 0.00 179.01 178.75 1gun h GLU 46 N 0.42 0.68 -0.03 2.33 5.08 -0.74 -2.83 114.58 119.50 1gun h GLU 46 Ca 0.12 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1gun h GLU 46 Cb 0.13 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1gun h GLU 46 CO -0.01 1.04 0.00 1.28 -1.00 0.00 0.00 179.01 180.32 1gun n LEU 47 N -3.98 0.64 -3.77 1.33 4.77 0.72 -4.93 117.00 111.78 1gun n LEU 47 Ca -0.03 -0.24 -0.22 0.00 -0.03 0.00 0.00 56.01 55.49 1gun n LEU 47 Cb 0.61 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.70 1gun n LEU 47 CO 0.48 0.12 -0.11 0.61 -1.33 0.00 0.00 177.39 177.16 1gun n GLY 48 N 1.02 -0.27 3.71 -0.72 0.00 -0.21 -4.92 105.19 103.80 1gun n GLY 48 Ca 0.19 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 1gun n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gun s VAL 49 N -3.74 4.18 0.05 1.61 1.01 -0.66 -5.01 120.40 117.84 1gun s VAL 49 Ca 0.01 1.56 -0.13 0.00 0.00 0.00 0.00 61.98 63.42 1gun s VAL 49 Cb -0.01 -4.00 0.02 0.00 0.00 0.00 0.00 36.38 32.39 1gun s VAL 49 CO 0.83 0.12 0.29 -0.54 0.00 0.00 0.00 175.10 175.80 1gun s LYS 50 N 1.08 0.81 0.35 2.72 1.02 -1.26 -4.91 119.74 119.54 1gun s LYS 50 Ca 0.58 -0.54 -0.27 0.00 0.02 0.00 0.00 55.97 55.75 1gun s LYS 50 Cb -0.28 0.35 -0.12 0.00 -0.52 0.00 0.00 37.83 37.26 1gun s LYS 50 CO 0.29 -0.26 1.19 -1.91 -0.92 0.00 0.00 175.35 173.74 1gun n GLU 51 N 0.53 1.85 0.00 1.68 4.07 -1.26 -1.51 120.64 126.00 1gun n GLU 51 Ca -0.18 0.65 0.00 0.00 -0.06 0.00 0.00 57.16 57.57 1gun n GLU 51 Cb 0.60 -2.19 0.00 0.00 -0.06 0.00 0.00 31.44 29.78 1gun n GLU 51 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1gun n GLY 52 N 0.92 3.01 3.73 8.31 0.00 -0.15 -4.93 105.19 116.08 1gun n GLY 52 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1gun n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gun s ALA 53 N -1.78 2.29 -0.50 4.61 0.00 -0.57 -4.51 121.76 121.30 1gun s ALA 53 Ca 0.00 1.09 -0.15 0.00 0.00 0.00 0.00 51.96 52.90 1gun s ALA 53 Cb 0.00 -3.52 0.10 0.00 0.00 0.00 0.00 23.12 19.70 1gun s ALA 53 CO 0.00 -1.68 0.43 -1.21 0.00 0.00 0.00 175.76 173.30 1gun s GLU 54 N -3.56 2.93 0.48 0.00 2.02 -1.26 -1.00 118.70 118.31 1gun s GLU 54 Ca 0.79 -1.53 0.02 0.00 0.02 0.00 0.00 54.97 54.28 1gun s GLU 54 Cb -0.34 -4.17 -0.01 0.00 0.10 0.00 0.00 34.13 29.71 1gun s GLU 54 CO 0.41 -1.15 0.07 -0.51 0.02 0.00 0.00 175.26 174.09 1gun s LEU 55 N 1.60 2.11 -0.05 1.80 1.43 -0.47 -4.97 118.68 120.13 1gun s LEU 55 Ca 0.04 -1.70 0.02 0.00 -1.03 0.00 0.00 54.13 51.45 1gun s LEU 55 Cb -0.27 -0.41 0.01 0.00 0.03 0.00 0.00 46.19 45.56 1gun s LEU 55 CO 0.04 -0.94 -0.09 -0.89 0.23 0.00 0.00 176.35 174.70 1gun s THR 56 N -3.03 0.88 -0.09 5.49 2.01 -1.26 -0.31 115.64 119.33 1gun s THR 56 Ca 0.12 -0.35 -0.18 0.00 0.31 0.00 0.00 61.69 61.58 1gun s THR 56 Cb 0.01 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 1gun s THR 56 CO 0.08 0.29 0.48 0.00 -0.69 0.00 0.00 174.62 174.78 1gun s ALA 57 N 0.60 3.50 -0.04 7.40 0.00 -0.71 -4.91 121.76 127.60 1gun s ALA 57 Ca -0.11 -0.17 0.05 0.00 0.00 0.00 0.00 51.96 51.73 1gun s ALA 57 Cb -0.14 -2.63 -0.01 0.00 0.00 0.00 0.00 23.12 20.35 1gun s ALA 57 CO 0.02 0.07 -0.19 0.08 0.00 0.00 0.00 175.76 175.74 1gun s VAL 58 N 0.35 1.59 -0.04 0.00 1.01 -1.26 -1.41 120.40 120.64 1gun s VAL 58 Ca 0.26 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1gun s VAL 58 Cb -0.16 -1.36 0.03 0.00 0.00 0.00 0.00 36.38 34.90 1gun s VAL 58 CO 0.11 0.45 0.07 -0.69 0.00 0.00 0.00 175.10 175.05 1gun s VAL 59 N -0.08 -0.10 0.36 2.92 1.01 -0.94 -5.05 120.40 118.52 1gun s VAL 59 Ca -0.02 0.29 -0.28 0.00 0.00 0.00 0.00 61.98 61.97 1gun s VAL 59 Cb -0.11 -0.15 -0.11 0.00 0.00 0.00 0.00 36.38 36.01 1gun s VAL 59 CO 0.02 0.12 1.43 -0.75 0.00 0.00 0.00 175.10 175.92 1gun s LYS 60 N 1.54 4.18 0.30 2.72 2.20 -1.26 -3.33 119.74 126.09 1gun s LYS 60 Ca -0.04 2.46 0.01 0.00 -0.36 0.00 0.00 55.97 58.04 1gun s LYS 60 Cb -0.12 -3.00 0.54 0.00 -1.51 0.00 0.00 37.83 33.73 1gun s LYS 60 CO -0.04 -0.43 1.90 0.77 -0.36 0.00 0.00 175.35 177.20 1gun h SER 61 N 3.11 0.91 0.05 1.43 0.02 -1.95 -1.40 113.55 115.72 1gun h SER 61 Ca -0.50 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1gun h SER 61 Cb 1.24 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1gun h SER 61 CO 0.64 0.57 0.00 0.35 -1.14 0.00 0.00 176.83 177.25 1gun n THR 62 N -4.50 0.11 0.90 -2.27 -2.24 -1.26 -2.07 114.28 102.94 1gun n THR 62 Ca 0.14 0.03 0.10 0.00 -2.27 0.00 0.00 64.05 62.05 1gun n THR 62 Cb 0.22 -0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 67.63 1gun n THR 62 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1gun n ASP 63 N -1.05 1.63 -4.63 3.42 8.00 -0.53 -4.94 116.55 118.46 1gun n ASP 63 Ca 0.10 -1.32 -0.41 0.00 0.71 0.00 0.00 54.79 53.88 1gun n ASP 63 Cb 0.06 0.61 -0.06 0.00 -0.02 0.00 0.00 41.12 41.71 1gun n ASP 63 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1gun s VAL 64 N -2.41 4.98 0.33 2.53 1.01 -0.88 -5.04 120.40 120.93 1gun s VAL 64 Ca 0.14 1.12 0.03 0.00 0.00 0.00 0.00 61.98 63.27 1gun s VAL 64 Cb 0.16 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1gun s VAL 64 CO 0.58 0.02 0.50 -0.04 0.00 0.00 0.00 175.10 176.17 1gun s MET 65 N 2.50 3.33 -0.11 2.72 -1.94 -1.26 -5.07 119.30 119.47 1gun s MET 65 Ca 0.26 -0.60 0.01 0.00 -1.71 0.00 0.00 55.69 53.65 1gun s MET 65 Cb -0.15 -2.73 -0.01 0.00 2.01 0.00 0.00 34.83 33.94 1gun s MET 65 CO 0.09 0.14 -0.15 0.42 -0.01 0.00 0.00 175.02 175.50 1gun s ILE 66 N -2.24 2.86 -0.11 2.53 -1.09 -1.26 -5.11 121.20 116.77 1gun s ILE 66 Ca 0.41 -0.74 0.02 0.00 -2.23 0.00 0.00 60.65 58.10 1gun s ILE 66 Cb -0.09 -2.17 -0.01 0.00 -1.58 0.00 0.00 42.46 38.61 1gun s ILE 66 CO 0.34 0.54 -0.18 -0.22 -1.23 0.00 0.00 174.94 174.19 1gun s LEU 67 N 0.20 2.47 0.00 2.97 2.96 -1.26 -5.34 118.68 120.67 1gun s LEU 67 Ca -0.09 -0.41 0.22 0.00 -0.22 0.00 0.00 54.13 53.63 1gun s LEU 67 Cb -0.16 -1.53 0.18 0.00 0.50 0.00 0.00 46.19 45.18 1gun s LEU 67 CO 0.06 0.17 1.20 0.00 -1.32 0.00 0.00 176.35 176.46