#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 2.39 0.41 2.46 2.07 -1.26 -5.04 121.20 122.22 1gun s ILE 3 Ca 0.00 -2.16 0.09 0.00 -1.41 0.00 0.00 60.65 57.17 1gun s ILE 3 Cb 0.00 -2.18 0.22 0.00 0.13 0.00 0.00 42.46 40.63 1gun s ILE 3 CO 0.00 -0.21 2.01 0.77 -1.91 0.00 0.00 174.94 175.59 1gun h SER 4 N 2.89 0.33 -1.47 4.50 4.64 -2.04 -3.43 113.55 118.97 1gun h SER 4 Ca -0.44 -0.03 -0.67 0.00 -0.47 0.00 0.00 61.79 60.17 1gun h SER 4 Cb 1.23 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1gun h SER 4 CO 0.52 0.33 1.20 0.00 -0.87 0.00 0.00 176.83 178.01 1gun n ALA 5 N -2.49 0.70 0.53 5.18 0.00 -1.26 -4.85 120.51 118.33 1gun n ALA 5 Ca 0.01 0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.72 1gun n ALA 5 Cb 0.15 -2.46 0.35 0.00 0.00 0.00 0.00 19.45 17.50 1gun n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gun h ARG 6 N 10.26 0.00 -4.69 0.00 3.08 -1.84 -3.43 114.38 117.76 1gun h ARG 6 Ca -0.38 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 58.97 1gun h ARG 6 Cb 1.31 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 31.16 1gun h ARG 6 CO 0.99 0.00 -0.36 -0.80 -1.07 0.00 0.00 179.97 178.73 1gun s ASN 7 N -4.92 6.14 -0.22 7.04 0.01 -1.17 -5.02 114.94 116.79 1gun s ASN 7 Ca 0.10 -0.69 -0.01 0.00 -0.71 0.00 0.00 52.86 51.55 1gun s ASN 7 Cb 0.11 -2.18 0.06 0.00 0.41 0.00 0.00 41.25 39.65 1gun s ASN 7 CO 0.61 -0.44 -0.01 -1.10 -1.51 0.00 0.00 177.10 174.65 1gun s GLN 8 N 1.86 1.14 -0.29 -0.60 -0.21 -1.26 -1.44 119.66 118.86 1gun s GLN 8 Ca 0.08 -0.74 0.01 0.00 0.02 0.00 0.00 55.36 54.72 1gun s GLN 8 Cb -0.18 -2.36 0.06 0.00 1.00 0.00 0.00 33.01 31.54 1gun s GLN 8 CO 0.11 -0.64 -0.04 -0.51 -2.12 0.00 0.00 175.29 172.10 1gun s LEU 9 N 1.61 3.80 0.29 2.90 1.43 0.26 -4.95 118.68 124.03 1gun s LEU 9 Ca -0.03 -1.41 -0.29 0.00 -1.03 0.00 0.00 54.13 51.37 1gun s LEU 9 Cb -0.18 -1.64 -0.10 0.00 0.03 0.00 0.00 46.19 44.30 1gun s LEU 9 CO -0.08 -0.25 1.25 -0.54 0.23 0.00 0.00 176.35 176.96 1gun s LYS 10 N 1.16 4.44 0.28 1.70 1.02 -1.26 -0.80 119.74 126.28 1gun s LYS 10 Ca -0.05 2.07 -0.20 0.00 0.02 0.00 0.00 55.97 57.80 1gun s LYS 10 Cb -0.20 -3.13 0.04 0.00 -0.52 0.00 0.00 37.83 34.03 1gun s LYS 10 CO -0.03 -0.08 0.82 0.20 -0.92 0.00 0.00 175.35 175.33 1gun s GLY 11 N -0.45 0.04 -0.09 -3.33 0.00 0.20 -4.33 107.32 99.36 1gun s GLY 11 Ca 0.49 -0.36 0.03 0.00 0.00 0.00 0.00 44.72 44.88 1gun s GLY 11 CO 0.47 0.10 -0.17 1.25 0.00 0.00 0.00 173.10 174.75 1gun s LYS 12 N -3.17 2.91 -0.07 2.90 2.20 -0.70 0.35 119.74 124.16 1gun s LYS 12 Ca 0.14 -0.75 -0.30 0.00 -0.36 0.00 0.00 55.97 54.70 1gun s LYS 12 Cb -0.05 -2.42 -0.05 0.00 -1.51 0.00 0.00 37.83 33.80 1gun s LYS 12 CO 0.07 0.37 1.57 0.08 -0.36 0.00 0.00 175.35 177.09 1gun s VAL 13 N -0.09 3.72 -0.57 4.02 1.01 -0.02 -0.71 120.40 127.76 1gun s VAL 13 Ca -0.03 0.88 0.05 0.00 0.00 0.00 0.00 61.98 62.87 1gun s VAL 13 Cb -0.14 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.72 1gun s VAL 13 CO 0.04 -0.08 0.67 1.33 0.00 0.00 0.00 175.10 177.06 1gun n VAL 14 N 5.44 0.04 -3.62 2.92 0.24 -0.18 -0.35 118.33 122.84 1gun n VAL 14 Ca 0.17 -0.52 -0.11 0.00 -2.04 0.00 0.00 64.34 61.84 1gun n VAL 14 Cb 0.43 1.07 -0.07 0.00 -1.47 0.00 0.00 33.84 33.81 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 -0.41 -0.25 -0.14 7.63 0.00 -1.11 -4.96 107.32 108.08 1gun s GLY 15 Ca 0.06 2.39 -0.08 0.00 0.00 0.00 0.00 44.72 47.09 1gun s GLY 15 CO 0.06 1.61 0.34 -2.27 0.00 0.00 0.00 173.10 172.83 1gun s LEU 16 N -0.12 0.14 -0.09 0.66 2.96 -1.26 -1.09 118.68 119.89 1gun s LEU 16 Ca 0.01 0.73 -0.01 0.00 -0.22 0.00 0.00 54.13 54.64 1gun s LEU 16 Cb -0.04 1.09 0.03 0.00 0.50 0.00 0.00 46.19 47.77 1gun s LEU 16 CO -0.03 -0.18 -0.04 -0.75 -1.32 0.00 0.00 176.35 174.03 1gun s LYS 17 N 1.31 1.08 -0.30 1.98 2.20 -0.29 -5.00 119.74 120.72 1gun s LYS 17 Ca -0.09 -0.08 -0.12 0.00 -0.36 0.00 0.00 55.97 55.31 1gun s LYS 17 Cb -0.09 -1.27 -0.04 0.00 -1.51 0.00 0.00 37.83 34.92 1gun s LYS 17 CO -0.11 -0.27 0.25 0.15 -0.36 0.00 0.00 175.35 175.01 1gun s LYS 18 N 1.77 3.80 0.00 4.03 1.02 -1.26 -1.41 119.74 127.69 1gun s LYS 18 Ca 0.04 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 55.66 1gun s LYS 18 Cb -0.13 -3.71 0.00 0.00 -0.52 0.00 0.00 37.83 33.47 1gun s LYS 18 CO -0.06 -0.30 0.00 0.41 -0.92 0.00 0.00 175.35 174.48 1gun n GLY 19 N 5.01 1.07 0.12 -3.33 0.00 -0.27 -5.02 105.19 102.78 1gun n GLY 19 Ca -0.12 -1.94 -0.21 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.09 1.42 0.00 1.61 2.07 -2.02 -3.42 116.25 115.81 1gun h VAL 20 Ca 0.00 -2.56 -0.18 0.00 0.82 0.00 0.00 66.70 64.78 1gun h VAL 20 Cb 0.00 3.12 -0.03 0.00 -1.52 0.00 0.00 31.29 32.86 1gun h VAL 20 CO 0.00 0.74 -1.67 0.52 0.02 0.00 0.00 177.57 177.18 1gun n VAL 21 N -4.02 0.67 -3.95 2.57 0.31 -1.26 -4.91 118.33 107.74 1gun n VAL 21 Ca -0.16 -0.26 -0.23 0.00 -0.01 0.00 0.00 64.34 63.68 1gun n VAL 21 Cb 0.89 -0.91 -0.06 0.00 -0.91 0.00 0.00 33.84 32.85 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 -2.23 2.64 -0.03 2.52 -4.23 -1.26 -0.97 115.64 112.07 1gun s THR 22 Ca -0.16 -1.59 -0.08 0.00 -1.18 0.00 0.00 61.69 58.69 1gun s THR 22 Cb 0.04 -3.00 0.01 0.00 1.34 0.00 0.00 72.50 70.89 1gun s THR 22 CO 0.27 -0.06 0.18 0.00 -0.54 0.00 0.00 174.62 174.48 1gun s ALA 23 N -2.51 -0.45 -0.19 3.99 0.00 -0.08 -1.11 121.76 121.42 1gun s ALA 23 Ca 0.42 0.19 -0.05 0.00 0.00 0.00 0.00 51.96 52.53 1gun s ALA 23 Cb -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1gun s ALA 23 CO 0.24 -0.17 -0.01 -2.00 0.00 0.00 0.00 175.76 173.82 1gun s GLU 24 N -0.79 3.61 -0.11 0.00 2.12 -0.50 -1.40 118.70 121.62 1gun s GLU 24 Ca -0.09 -0.53 0.03 0.00 0.36 0.00 0.00 54.97 54.74 1gun s GLU 24 Cb -0.05 -3.03 -0.00 0.00 0.26 0.00 0.00 34.13 31.31 1gun s GLU 24 CO 0.01 0.05 -0.22 0.08 -0.54 0.00 0.00 175.26 174.65 1gun s VAL 25 N 0.88 2.24 -0.18 3.70 1.01 0.16 -1.14 120.40 127.08 1gun s VAL 25 Ca 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 1gun s VAL 25 Cb -0.14 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1gun s VAL 25 CO 0.02 0.55 -0.10 -0.69 0.00 0.00 0.00 175.10 174.88 1gun s VAL 26 N 0.42 3.08 0.03 2.92 1.01 -0.25 -0.71 120.40 126.90 1gun s VAL 26 Ca -0.16 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.27 1gun s VAL 26 Cb -0.17 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1gun s VAL 26 CO 0.07 0.48 -0.15 -0.76 0.00 0.00 0.00 175.10 174.73 1gun s LEU 27 N 1.00 2.74 -0.27 3.92 1.43 0.24 -1.01 118.68 126.74 1gun s LEU 27 Ca -0.01 -0.34 -0.10 0.00 -1.03 0.00 0.00 54.13 52.65 1gun s LEU 27 Cb -0.15 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1gun s LEU 27 CO -0.01 0.27 0.15 -0.70 0.23 0.00 0.00 176.35 176.29 1gun s GLU 28 N -1.38 3.86 0.00 1.70 2.12 0.11 -0.49 118.70 124.62 1gun s GLU 28 Ca 0.15 -0.37 0.00 0.00 0.36 0.00 0.00 54.97 55.11 1gun s GLU 28 Cb -0.11 -3.55 0.00 0.00 0.26 0.00 0.00 34.13 30.73 1gun s GLU 28 CO 0.05 -0.18 0.00 0.44 -0.54 0.00 0.00 175.26 175.04 1gun n ILE 29 N 5.00 0.00 -1.67 -3.70 -5.35 -0.42 -1.72 119.36 111.50 1gun n ILE 29 Ca -0.15 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 61.90 1gun n ILE 29 Cb 0.52 -0.55 -0.01 0.00 -1.74 0.00 0.00 39.64 37.86 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 -3.00 0.98 -0.97 -1.28 0.00 -1.26 -2.55 120.51 112.42 1gun n ALA 30 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1gun n ALA 30 Cb 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.24 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 1.02 0.50 1.70 0.00 0.00 -1.26 -3.18 105.19 103.97 1gun n GLY 31 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.16 0.80 3.71 -0.02 0.00 -1.06 -5.04 105.19 101.42 1gun n GLY 32 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1gun n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1gun s ASN 33 N -3.00 3.52 -0.02 1.61 0.01 -1.19 -4.81 114.94 111.06 1gun s ASN 33 Ca 0.00 2.12 0.05 0.00 -0.71 0.00 0.00 52.86 54.32 1gun s ASN 33 Cb 0.00 -2.56 -0.01 0.00 0.41 0.00 0.00 41.25 39.09 1gun s ASN 33 CO 0.00 -2.71 -0.17 -0.54 -1.51 0.00 0.00 177.10 172.17 1gun s LYS 34 N -4.60 1.43 -0.07 -0.60 1.02 -1.26 -1.30 119.74 114.36 1gun s LYS 34 Ca 0.66 -0.62 0.05 0.00 0.02 0.00 0.00 55.97 56.08 1gun s LYS 34 Cb -0.22 -1.37 -0.02 0.00 -0.52 0.00 0.00 37.83 35.70 1gun s LYS 34 CO 0.55 0.36 -0.20 0.42 -0.92 0.00 0.00 175.35 175.56 1gun s ILE 35 N -0.37 2.48 -0.11 2.17 -1.09 0.36 -4.96 121.20 119.68 1gun s ILE 35 Ca 0.06 -0.91 0.01 0.00 -2.23 0.00 0.00 60.65 57.58 1gun s ILE 35 Cb -0.07 -1.95 -0.01 0.00 -1.58 0.00 0.00 42.46 38.85 1gun s ILE 35 CO -0.00 0.57 -0.15 -0.89 -1.23 0.00 0.00 174.94 173.23 1gun s THR 36 N -0.25 2.89 -0.07 2.92 2.01 -1.26 -0.59 115.64 121.29 1gun s THR 36 Ca -0.00 -0.73 0.04 0.00 0.31 0.00 0.00 61.69 61.31 1gun s THR 36 Cb -0.13 -2.19 0.00 0.00 0.01 0.00 0.00 72.50 70.20 1gun s THR 36 CO 0.03 0.54 -0.19 -0.55 -0.69 0.00 0.00 174.62 173.76 1gun s SER 37 N 0.17 2.43 -0.27 3.53 0.15 0.12 -4.99 113.70 114.83 1gun s SER 37 Ca -0.08 -0.42 -0.04 0.00 0.70 0.00 0.00 55.95 56.11 1gun s SER 37 Cb -0.15 -0.92 0.02 0.00 -1.71 0.00 0.00 66.02 63.25 1gun s SER 37 CO 0.05 0.13 0.01 -0.63 1.20 0.00 0.00 173.24 174.01 1gun s ILE 38 N 0.28 3.45 0.47 6.45 1.09 -1.26 -0.66 121.20 131.01 1gun s ILE 38 Ca -0.11 -0.84 0.02 0.00 -1.10 0.00 0.00 60.65 58.62 1gun s ILE 38 Cb -0.15 -2.77 -0.01 0.00 -1.06 0.00 0.00 42.46 38.47 1gun s ILE 38 CO 0.05 0.14 0.07 0.27 -0.10 0.00 0.00 174.94 175.37 1gun s ILE 39 N 1.42 0.79 0.47 2.92 -4.36 -0.50 -4.96 121.20 116.98 1gun s ILE 39 Ca 0.01 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.19 1gun s ILE 39 Cb -0.17 -2.19 -0.08 0.00 1.25 0.00 0.00 42.46 41.28 1gun s ILE 39 CO -0.01 0.00 1.09 -0.94 0.24 0.00 0.00 174.94 175.32 1gun s SER 40 N -3.76 6.26 0.36 4.36 1.04 -1.26 -0.90 113.70 119.79 1gun s SER 40 Ca 0.13 2.10 0.03 0.00 0.48 0.00 0.00 55.95 58.69 1gun s SER 40 Cb 0.01 -2.58 0.67 0.00 0.10 0.00 0.00 66.02 64.22 1gun s SER 40 CO 0.08 -0.85 2.00 0.25 0.98 0.00 0.00 173.24 175.70 1gun h LEU 41 N 1.80 0.65 -1.15 2.42 5.85 -1.27 -1.96 115.31 121.65 1gun h LEU 41 Ca -0.49 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.23 1gun h LEU 41 Cb 1.23 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1gun h LEU 41 CO 0.60 0.51 0.58 0.44 -0.34 0.00 0.00 178.44 180.22 1gun h ASP 42 N 0.76 0.96 -0.41 1.25 3.32 -1.91 -2.66 116.42 117.73 1gun h ASP 42 Ca 0.20 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 1gun h ASP 42 Cb -0.03 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1gun h ASP 42 CO -0.04 0.67 -0.09 0.28 -1.72 0.00 0.00 179.24 178.33 1gun h SER 43 N 1.12 0.85 -0.97 6.45 0.02 -1.74 -1.43 113.55 117.86 1gun h SER 43 Ca 0.35 -0.26 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1gun h SER 43 Cb 0.00 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.26 1gun h SER 43 CO -0.10 0.97 0.63 0.58 -1.14 0.00 0.00 176.83 177.77 1gun h VAL 44 N 0.77 1.17 -0.03 2.27 2.07 -1.32 -0.84 116.25 120.35 1gun h VAL 44 Ca 0.13 -0.42 -0.15 0.00 0.82 0.00 0.00 66.70 67.08 1gun h VAL 44 Cb 0.60 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1gun h VAL 44 CO 0.04 0.22 -0.67 -0.33 0.02 0.00 0.00 177.57 176.86 1gun h GLU 45 N 1.23 0.13 0.00 1.57 4.39 -1.24 -2.05 114.58 118.61 1gun h GLU 45 Ca 0.38 -0.10 -0.18 0.00 0.34 0.00 0.00 59.36 59.80 1gun h GLU 45 Cb -0.01 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 1gun h GLU 45 CO -0.12 0.75 -1.05 0.93 -1.16 0.00 0.00 179.01 178.36 1gun h GLU 46 N 0.09 0.00 -0.59 2.33 5.08 -0.71 -3.32 114.58 117.46 1gun h GLU 46 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1gun h GLU 46 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1gun h GLU 46 CO 0.10 0.59 0.00 1.28 -1.00 0.00 0.00 179.01 179.98 1gun n LEU 47 N -3.15 3.36 -3.50 1.33 4.77 -0.37 -4.95 117.00 114.49 1gun n LEU 47 Ca -0.04 -1.65 -0.23 0.00 -0.03 0.00 0.00 56.01 54.06 1gun n LEU 47 Cb 0.87 -0.39 0.05 0.00 -2.33 0.00 0.00 43.42 41.62 1gun n LEU 47 CO 0.44 0.82 -0.02 0.61 -1.33 0.00 0.00 177.39 177.91 1gun n GLY 48 N 1.50 -0.93 3.68 -0.72 0.00 -1.21 -4.92 105.19 102.60 1gun n GLY 48 Ca 0.21 0.44 -0.41 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.46 4.91 0.07 1.61 1.01 -0.77 -5.00 120.40 118.76 1gun s VAL 49 Ca 0.38 1.63 -0.16 0.00 0.00 0.00 0.00 61.98 63.83 1gun s VAL 49 Cb -0.09 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.18 1gun s VAL 49 CO 0.80 0.08 0.37 -0.54 0.00 0.00 0.00 175.10 175.81 1gun s LYS 50 N 1.81 0.93 0.34 2.72 1.02 -1.26 -4.94 119.74 120.37 1gun s LYS 50 Ca 0.39 -0.52 -0.28 0.00 0.02 0.00 0.00 55.97 55.58 1gun s LYS 50 Cb -0.17 0.41 -0.12 0.00 -0.52 0.00 0.00 37.83 37.42 1gun s LYS 50 CO 0.15 -0.33 1.22 -1.91 -0.92 0.00 0.00 175.35 173.56 1gun n GLU 51 N 0.30 1.93 0.00 1.68 2.13 -1.26 -1.78 120.64 123.64 1gun n GLU 51 Ca -0.18 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.32 1gun n GLU 51 Cb 0.61 -2.23 0.00 0.00 0.27 0.00 0.00 31.44 30.09 1gun n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1gun n GLY 52 N 0.88 3.16 3.77 8.31 0.00 0.53 -4.97 105.19 116.87 1gun n GLY 52 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.86 3.46 -0.29 4.61 0.00 -0.73 -4.56 121.76 122.38 1gun s ALA 53 Ca 0.00 1.56 -0.17 0.00 0.00 0.00 0.00 51.96 53.35 1gun s ALA 53 Cb 0.00 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 1gun s ALA 53 CO 0.00 -1.14 0.46 -1.21 0.00 0.00 0.00 175.76 173.88 1gun s GLU 54 N -2.24 3.90 0.33 0.00 2.02 -1.26 -0.84 118.70 120.61 1gun s GLU 54 Ca 0.56 0.06 0.04 0.00 0.02 0.00 0.00 54.97 55.65 1gun s GLU 54 Cb -0.46 -3.71 -0.03 0.00 0.10 0.00 0.00 34.13 30.03 1gun s GLU 54 CO 0.61 -0.42 0.17 -0.51 0.02 0.00 0.00 175.26 175.13 1gun s LEU 55 N 2.24 1.76 -0.10 1.80 1.43 0.16 -4.97 118.68 120.99 1gun s LEU 55 Ca 0.18 -1.60 0.03 0.00 -1.03 0.00 0.00 54.13 51.71 1gun s LEU 55 Cb -0.16 0.17 0.00 0.00 0.03 0.00 0.00 46.19 46.23 1gun s LEU 55 CO 0.11 -0.91 -0.22 -0.89 0.23 0.00 0.00 176.35 174.66 1gun s THR 56 N -3.50 1.95 0.01 5.49 2.01 -1.26 0.60 115.64 120.94 1gun s THR 56 Ca 0.34 -0.94 -0.23 0.00 0.31 0.00 0.00 61.69 61.17 1gun s THR 56 Cb 0.04 -1.70 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 1gun s THR 56 CO 0.18 0.53 0.68 0.00 -0.69 0.00 0.00 174.62 175.32 1gun s ALA 57 N 0.48 3.42 -0.04 7.40 0.00 0.02 -4.87 121.76 128.17 1gun s ALA 57 Ca -0.16 0.15 0.04 0.00 0.00 0.00 0.00 51.96 51.99 1gun s ALA 57 Cb -0.17 -2.87 -0.00 0.00 0.00 0.00 0.00 23.12 20.08 1gun s ALA 57 CO 0.06 0.10 -0.16 0.08 0.00 0.00 0.00 175.76 175.84 1gun s VAL 58 N -0.06 1.35 -0.01 0.00 1.01 -1.26 -0.57 120.40 120.86 1gun s VAL 58 Ca 0.35 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 1gun s VAL 58 Cb -0.19 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.03 1gun s VAL 58 CO 0.20 0.39 0.02 -0.69 0.00 0.00 0.00 175.10 175.02 1gun s VAL 59 N 0.09 -0.02 0.38 2.92 1.01 -0.52 -5.04 120.40 119.22 1gun s VAL 59 Ca -0.05 0.09 -0.26 0.00 0.00 0.00 0.00 61.98 61.77 1gun s VAL 59 Cb -0.11 -0.04 -0.09 0.00 0.00 0.00 0.00 36.38 36.13 1gun s VAL 59 CO 0.02 0.04 1.11 -0.75 0.00 0.00 0.00 175.10 175.52 1gun s LYS 60 N 0.43 4.21 0.31 2.72 2.20 -1.26 -3.03 119.74 125.31 1gun s LYS 60 Ca -0.04 1.71 0.00 0.00 -0.36 0.00 0.00 55.97 57.29 1gun s LYS 60 Cb -0.05 -2.72 0.51 0.00 -1.51 0.00 0.00 37.83 34.06 1gun s LYS 60 CO -0.01 -0.15 1.93 0.77 -0.36 0.00 0.00 175.35 177.52 1gun h SER 61 N 2.81 0.77 0.25 1.43 0.02 -1.94 -1.06 113.55 115.81 1gun h SER 61 Ca -0.48 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1gun h SER 61 Cb 1.22 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1gun h SER 61 CO 0.63 0.64 0.00 0.35 -1.14 0.00 0.00 176.83 177.31 1gun n THR 62 N -4.36 0.72 0.66 -2.27 -2.24 -1.26 -2.17 114.28 103.36 1gun n THR 62 Ca 0.06 0.18 0.10 0.00 -2.27 0.00 0.00 64.05 62.12 1gun n THR 62 Cb 0.12 -0.98 0.12 0.00 -2.10 0.00 0.00 70.33 67.49 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 -1.30 2.91 -4.61 3.42 8.00 -0.40 -4.90 116.55 119.66 1gun n ASP 63 Ca 0.06 -1.89 -0.39 0.00 0.71 0.00 0.00 54.79 53.28 1gun n ASP 63 Cb 0.10 -0.08 -0.09 0.00 -0.02 0.00 0.00 41.12 41.03 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 -1.60 5.20 0.27 2.53 1.01 -0.92 -5.02 120.40 121.87 1gun s VAL 64 Ca 0.28 0.52 0.02 0.00 0.00 0.00 0.00 61.98 62.79 1gun s VAL 64 Cb 0.18 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1gun s VAL 64 CO 0.27 0.19 0.44 -0.04 0.00 0.00 0.00 175.10 175.95 1gun s MET 65 N 1.90 3.47 -0.08 2.72 -1.94 -1.26 -5.06 119.30 119.05 1gun s MET 65 Ca 0.14 -0.51 0.03 0.00 -1.71 0.00 0.00 55.69 53.64 1gun s MET 65 Cb -0.16 -2.79 -0.02 0.00 2.01 0.00 0.00 34.83 33.87 1gun s MET 65 CO 0.10 0.32 -0.19 0.42 -0.01 0.00 0.00 175.02 175.66 1gun s ILE 66 N -2.08 2.62 -0.15 2.53 -1.09 -1.26 -5.11 121.20 116.66 1gun s ILE 66 Ca 0.37 -0.85 0.02 0.00 -2.23 0.00 0.00 60.65 57.96 1gun s ILE 66 Cb -0.10 -2.03 0.01 0.00 -1.58 0.00 0.00 42.46 38.77 1gun s ILE 66 CO 0.32 0.56 -0.21 -0.22 -1.23 0.00 0.00 174.94 174.16 1gun s LEU 67 N -0.13 2.12 0.00 2.97 2.96 -1.26 -5.34 118.68 120.00 1gun s LEU 67 Ca -0.03 -0.62 0.23 0.00 -0.22 0.00 0.00 54.13 53.49 1gun s LEU 67 Cb -0.14 -1.46 0.18 0.00 0.50 0.00 0.00 46.19 45.27 1gun s LEU 67 CO 0.04 0.05 1.22 0.00 -1.32 0.00 0.00 176.35 176.34