#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4e s SER 2 N 0.00 3.79 -0.11 1.61 0.15 -1.26 -5.09 113.70 112.79 1x4e s SER 2 Ca 0.00 -2.90 -0.29 0.00 0.70 0.00 0.00 55.95 53.46 1x4e s SER 2 Cb 0.00 -1.20 -0.05 0.00 -1.71 0.00 0.00 66.02 63.06 1x4e s SER 2 CO 0.00 -0.23 1.73 -0.94 1.20 0.00 0.00 173.24 175.01 1x4e s SER 3 N -0.04 6.44 -1.17 5.45 1.04 -1.26 -4.91 113.70 119.25 1x4e s SER 3 Ca 0.19 2.07 -0.19 0.00 0.48 0.00 0.00 55.95 58.51 1x4e s SER 3 Cb -0.20 -2.53 0.09 0.00 0.10 0.00 0.00 66.02 63.48 1x4e s SER 3 CO -0.03 -1.14 1.54 -0.83 0.98 0.00 0.00 173.24 173.76 1x4e s GLY 4 N 4.20 1.73 0.20 7.32 0.00 -1.26 -4.95 107.32 114.56 1x4e s GLY 4 Ca 0.77 -2.82 0.10 0.00 0.00 0.00 0.00 44.72 42.77 1x4e s GLY 4 CO 0.32 2.51 -0.20 -0.56 0.00 0.00 0.00 173.10 175.17 1x4e s SER 5 N 4.08 3.07 0.03 1.64 0.01 -1.26 -4.78 113.70 116.49 1x4e s SER 5 Ca 0.47 -0.92 0.22 0.00 1.31 0.00 0.00 55.95 57.04 1x4e s SER 5 Cb 0.01 -0.21 -0.20 0.00 0.21 0.00 0.00 66.02 65.82 1x4e s SER 5 CO -0.00 0.01 0.72 -1.54 0.41 0.00 0.00 173.24 172.84 1x4e n SER 6 N -0.00 0.37 -4.73 2.44 3.41 -1.26 -4.39 113.62 109.45 1x4e n SER 6 Ca -0.11 -0.10 -0.41 0.00 -0.26 0.00 0.00 58.87 57.99 1x4e n SER 6 Cb 0.58 1.41 -0.04 0.00 -0.26 0.00 0.00 64.21 65.91 1x4e n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x4e s GLY 7 N -4.17 2.69 0.32 5.00 0.00 -1.26 -1.42 107.32 108.49 1x4e s GLY 7 Ca -0.03 0.81 0.10 0.00 0.00 0.00 0.00 44.72 45.60 1x4e s GLY 7 CO 0.87 1.81 -0.08 1.08 0.00 0.00 0.00 173.10 176.77 1x4e s LEU 8 N 0.27 2.82 -0.29 0.66 1.43 0.12 -2.88 118.68 120.81 1x4e s LEU 8 Ca 0.53 -1.04 -0.01 0.00 -1.03 0.00 0.00 54.13 52.58 1x4e s LEU 8 Cb -0.29 -1.21 0.12 0.00 0.03 0.00 0.00 46.19 44.85 1x4e s LEU 8 CO 0.32 -0.14 0.25 -0.47 0.23 0.00 0.00 176.35 176.55 1x4e s TYR 9 N -2.53 -0.24 -0.27 0.29 6.14 0.73 -2.50 117.35 118.97 1x4e s TYR 9 Ca 0.33 -0.36 -0.10 0.00 0.64 0.00 0.00 57.07 57.57 1x4e s TYR 9 Cb -0.01 -0.58 -0.05 0.00 0.42 0.00 0.00 41.96 41.74 1x4e s TYR 9 CO 0.17 -0.89 0.16 0.42 0.64 0.00 0.00 175.55 176.06 1x4e s ILE 10 N 2.29 5.15 0.42 3.14 1.09 -0.30 -1.97 121.20 131.02 1x4e s ILE 10 Ca 0.09 0.11 0.03 0.00 -1.10 0.00 0.00 60.65 59.78 1x4e s ILE 10 Cb -0.14 -3.44 -0.00 0.00 -1.06 0.00 0.00 42.46 37.81 1x4e s ILE 10 CO -0.34 0.28 0.61 -0.13 -0.10 0.00 0.00 174.94 175.26 1x4e s ARG 11 N 1.62 3.04 -0.28 2.79 0.52 0.76 -0.14 118.95 127.26 1x4e s ARG 11 Ca 0.07 -0.70 -0.01 0.00 -0.52 0.00 0.00 55.73 54.56 1x4e s ARG 11 Cb -0.15 -2.65 -0.01 0.00 0.52 0.00 0.00 34.95 32.66 1x4e s ARG 11 CO 0.09 -0.19 0.25 0.41 0.02 0.00 0.00 175.30 175.88 1x4e n GLY 12 N -1.95 -0.17 0.00 -3.53 0.00 0.35 -4.14 105.19 95.75 1x4e n GLY 12 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1x4e n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4e n LEU 13 N -1.62 0.00 -4.77 0.99 4.77 -1.06 -4.98 117.00 110.32 1x4e n LEU 13 Ca -0.01 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.74 1x4e n LEU 13 Cb 0.52 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 1x4e n LEU 13 CO 0.17 -0.07 -0.22 -1.10 -1.33 0.00 0.00 177.39 174.84 1x4e s GLN 14 N 0.28 2.74 0.42 3.23 -1.52 -1.26 -4.85 119.66 118.70 1x4e s GLN 14 Ca 0.00 -1.12 0.29 0.00 -1.95 0.00 0.00 55.36 52.58 1x4e s GLN 14 Cb 0.00 -2.46 1.22 0.00 -0.22 0.00 0.00 33.01 31.55 1x4e s GLN 14 CO 0.00 0.41 1.87 -1.00 -0.25 0.00 0.00 175.29 176.32 1x4e h PRO 15 N 1.78 0.00 -0.27 2.91 0.13 -1.83 -2.55 132.00 132.16 1x4e h PRO 15 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1x4e h PRO 15 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1x4e h PRO 15 CO 0.61 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 1x4e n GLY 16 N -0.03 1.47 3.71 1.56 0.00 -1.26 -4.17 105.19 106.47 1x4e n GLY 16 Ca 0.01 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 1x4e n GLY 16 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x4e n THR 17 N 1.43 0.03 -4.49 2.61 -1.04 -0.96 -5.00 114.28 106.85 1x4e n THR 17 Ca 0.18 -0.01 -0.24 0.00 -2.04 0.00 0.00 64.05 61.94 1x4e n THR 17 Cb 0.60 -1.92 -0.10 0.00 -1.82 0.00 0.00 70.33 67.08 1x4e n THR 17 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1x4e s THR 18 N 1.25 2.02 0.10 12.58 -4.23 -1.26 -4.80 115.64 121.31 1x4e s THR 18 Ca 0.76 -2.19 -0.19 0.00 -1.18 0.00 0.00 61.69 58.89 1x4e s THR 18 Cb -0.53 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 70.72 1x4e s THR 18 CO 0.34 -0.26 1.24 0.47 -0.54 0.00 0.00 174.62 175.87 1x4e n ASP 19 N -0.70 -0.66 -0.20 3.99 9.92 -1.26 0.01 116.55 127.66 1x4e n ASP 19 Ca -0.05 1.39 -0.01 0.00 -0.53 0.00 0.00 54.79 55.59 1x4e n ASP 19 Cb 0.63 -0.28 0.07 0.00 -0.64 0.00 0.00 41.12 40.90 1x4e n ASP 19 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1x4e h GLN 20 N 0.00 0.03 -1.34 -1.24 7.50 -1.97 0.22 115.11 118.31 1x4e h GLN 20 Ca 0.10 -0.00 0.41 0.00 0.50 0.00 0.00 58.65 59.66 1x4e h GLN 20 Cb 0.26 -0.01 -0.11 0.00 0.05 0.00 0.00 27.48 27.67 1x4e h GLN 20 CO -0.58 0.02 0.89 0.22 -1.50 0.00 0.00 178.83 177.88 1x4e h ASP 21 N 0.03 0.22 -0.31 1.46 1.82 -0.80 0.96 116.42 119.80 1x4e h ASP 21 Ca 0.30 0.09 -0.18 0.00 -0.39 0.00 0.00 57.03 56.85 1x4e h ASP 21 Cb 0.46 0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.55 1x4e h ASP 21 CO -0.58 -0.09 -0.50 -0.07 -1.61 0.00 0.00 179.24 176.38 1x4e h LEU 22 N 0.12 0.98 -0.69 2.28 3.38 -0.19 -2.98 115.31 118.22 1x4e h LEU 22 Ca 0.77 -0.51 0.09 0.00 0.09 0.00 0.00 57.88 58.32 1x4e h LEU 22 Cb 2.51 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 42.91 1x4e h LEU 22 CO -0.30 1.31 0.34 0.58 0.09 0.00 0.00 178.44 180.46 1x4e h VAL 23 N 0.70 0.86 0.00 1.22 2.07 0.11 0.60 116.25 121.81 1x4e h VAL 23 Ca 0.03 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1x4e h VAL 23 Cb 1.11 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1x4e h VAL 23 CO 0.12 0.11 -0.11 0.11 0.02 0.00 0.00 177.57 177.82 1x4e h LYS 24 N 0.60 0.00 -0.72 1.57 1.57 -1.46 0.73 116.57 118.86 1x4e h LYS 24 Ca 0.33 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.17 1x4e h LYS 24 Cb 0.33 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 1x4e h LYS 24 CO -0.25 0.11 0.47 1.25 -0.57 0.00 0.00 179.45 180.45 1x4e h LEU 25 N 0.00 0.69 -3.31 2.94 5.85 -0.71 -3.26 115.31 117.50 1x4e h LEU 25 Ca -0.00 -0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 1x4e h LEU 25 Cb 0.54 -0.15 -0.32 0.00 0.37 0.00 0.00 40.66 41.10 1x4e h LEU 25 CO 0.01 0.46 -0.85 0.00 -0.34 0.00 0.00 178.44 177.72 1x4e h GLN 27 N 1.06 -0.80 0.00 0.00 4.15 0.43 -2.90 115.11 117.05 1x4e h GLN 27 Ca -0.30 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.17 1x4e h GLN 27 Cb 1.66 0.18 0.00 0.00 0.21 0.00 0.00 27.48 29.53 1x4e h GLN 27 CO 0.01 -0.49 0.00 -0.35 -1.93 0.00 0.00 178.83 176.07 1x4e n PRO 28 N -5.36 0.49 0.01 -2.39 -0.04 -1.26 -2.47 135.00 123.97 1x4e n PRO 28 Ca -0.12 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.23 1x4e n PRO 28 Cb 0.35 -1.39 -0.14 0.00 -0.04 0.00 0.00 33.50 32.28 1x4e n PRO 28 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1x4e h TYR 29 N 0.00 0.14 0.00 0.54 -1.99 -1.88 -3.50 116.97 110.27 1x4e h TYR 29 Ca 0.00 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.63 1x4e h TYR 29 Cb 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.72 1x4e h TYR 29 CO 0.00 1.16 0.00 0.41 -0.00 0.00 0.00 178.16 179.73 1x4e n GLY 30 N 1.59 -0.55 3.67 3.88 0.00 -1.03 -4.94 105.19 107.81 1x4e n GLY 30 Ca -0.16 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1x4e n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x4e s LYS 31 N -0.47 4.28 -0.33 1.61 2.20 -1.26 -4.74 119.74 121.03 1x4e s LYS 31 Ca 0.00 1.03 -0.09 0.00 -0.36 0.00 0.00 55.97 56.55 1x4e s LYS 31 Cb 0.00 -3.59 0.02 0.00 -1.51 0.00 0.00 37.83 32.75 1x4e s LYS 31 CO 0.00 -0.37 0.14 0.42 -0.36 0.00 0.00 175.35 175.17 1x4e s ILE 32 N 2.31 4.24 -0.00 5.43 1.01 -1.26 -1.79 121.20 131.14 1x4e s ILE 32 Ca 0.38 -0.76 -0.17 0.00 0.00 0.00 0.00 60.65 60.10 1x4e s ILE 32 Cb -0.16 -3.27 -0.09 0.00 0.01 0.00 0.00 42.46 38.94 1x4e s ILE 32 CO 0.11 -0.06 0.85 0.58 0.00 0.00 0.00 174.94 176.42 1x4e h VAL 33 N 5.88 0.00 -3.45 2.92 2.07 -1.01 -3.47 116.25 119.19 1x4e h VAL 33 Ca -0.28 -0.30 -0.10 0.00 0.82 0.00 0.00 66.70 66.84 1x4e h VAL 33 Cb 1.12 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.72 1x4e h VAL 33 CO 0.62 0.00 -0.31 -0.44 0.02 0.00 0.00 177.57 177.46 1x4e s SER 34 N -4.04 -0.04 0.04 0.57 0.01 -1.18 -5.04 113.70 104.02 1x4e s SER 34 Ca -0.09 -0.31 0.07 0.00 1.31 0.00 0.00 55.95 56.94 1x4e s SER 34 Cb 0.01 0.33 -0.03 0.00 0.21 0.00 0.00 66.02 66.55 1x4e s SER 34 CO 0.26 -0.61 -0.20 0.42 0.41 0.00 0.00 173.24 173.52 1x4e s THR 35 N -2.72 1.63 -0.13 1.44 -4.23 -1.26 -1.12 115.64 109.26 1x4e s THR 35 Ca -0.04 -1.20 -0.04 0.00 -1.18 0.00 0.00 61.69 59.24 1x4e s THR 35 Cb -0.00 -1.43 0.05 0.00 1.34 0.00 0.00 72.50 72.46 1x4e s THR 35 CO -0.05 0.19 0.07 -0.75 -0.54 0.00 0.00 174.62 173.54 1x4e s LYS 36 N -1.19 0.08 -0.18 3.99 2.47 -0.74 -4.94 119.74 119.22 1x4e s LYS 36 Ca 0.07 0.04 -0.21 0.00 -1.56 0.00 0.00 55.97 54.31 1x4e s LYS 36 Cb -0.09 -1.42 -0.03 0.00 -1.46 0.00 0.00 37.83 34.84 1x4e s LYS 36 CO 0.02 -0.55 0.64 0.00 0.16 0.00 0.00 175.35 175.62 1x4e s ALA 37 N 2.12 3.53 -0.39 3.13 0.00 -1.26 0.81 121.76 129.70 1x4e s ALA 37 Ca 0.03 -0.22 -0.29 0.00 0.00 0.00 0.00 51.96 51.48 1x4e s ALA 37 Cb -0.15 -2.97 -0.00 0.00 0.00 0.00 0.00 23.12 20.00 1x4e s ALA 37 CO -0.07 -0.51 1.56 0.42 0.00 0.00 0.00 175.76 177.16 1x4e s ILE 38 N 1.81 3.73 0.12 0.00 -1.09 -0.15 -4.94 121.20 120.68 1x4e s ILE 38 Ca 0.30 0.73 0.09 0.00 -2.23 0.00 0.00 60.65 59.53 1x4e s ILE 38 Cb -0.16 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.68 1x4e s ILE 38 CO 0.11 -0.65 -0.16 -0.76 -1.23 0.00 0.00 174.94 172.25 1x4e s LEU 39 N 6.08 2.79 0.88 2.97 1.43 -1.26 0.08 118.68 131.65 1x4e s LEU 39 Ca 0.68 -0.54 -0.10 0.00 -1.03 0.00 0.00 54.13 53.14 1x4e s LEU 39 Cb -0.17 -1.60 0.13 0.00 0.03 0.00 0.00 46.19 44.58 1x4e s LEU 39 CO 0.33 0.17 1.13 -1.81 0.23 0.00 0.00 176.35 176.39 1x4e s ASP 40 N -2.25 3.28 0.18 2.29 1.11 -1.26 -4.67 116.67 115.34 1x4e s ASP 40 Ca 0.19 2.07 0.23 0.00 0.18 0.00 0.00 52.55 55.22 1x4e s ASP 40 Cb -0.10 -2.54 0.15 0.00 1.07 0.00 0.00 42.92 41.50 1x4e s ASP 40 CO 0.11 -2.86 1.18 0.11 1.18 0.00 0.00 175.17 174.90 1x4e h LYS 41 N -1.70 0.00 0.00 8.23 1.57 -2.00 -2.97 116.57 119.71 1x4e h LYS 41 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1x4e h LYS 41 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1x4e h LYS 41 CO 0.44 0.00 -0.29 0.25 -0.57 0.00 0.00 179.45 179.29 1x4e n THR 42 N -2.46 0.50 0.07 -0.16 -2.24 -1.26 -4.74 114.28 104.00 1x4e n THR 42 Ca 0.02 0.39 -0.21 0.00 -2.27 0.00 0.00 64.05 61.97 1x4e n THR 42 Cb 0.50 -1.79 -0.14 0.00 -2.10 0.00 0.00 70.33 66.80 1x4e n THR 42 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1x4e h THR 43 N -0.34 1.37 -3.43 4.28 1.35 -1.99 -3.48 112.91 110.67 1x4e h THR 43 Ca 0.00 -2.45 -0.23 0.00 -0.55 0.00 0.00 66.41 63.19 1x4e h THR 43 Cb 0.29 2.87 0.07 0.00 -1.73 0.00 0.00 68.15 69.64 1x4e h THR 43 CO 0.00 0.72 -0.37 0.59 -0.25 0.00 0.00 175.52 176.21 1x4e n ASN 44 N -3.95 -4.37 -2.52 5.36 3.02 -1.12 -4.95 115.26 106.73 1x4e n ASN 44 Ca -0.14 -0.26 -0.29 0.00 -0.03 0.00 0.00 54.58 53.86 1x4e n ASN 44 Cb 0.91 -3.04 0.01 0.00 -0.61 0.00 0.00 39.78 37.04 1x4e n ASN 44 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1x4e n LYS 45 N -2.91 3.32 -2.28 3.52 2.85 -1.26 -4.72 118.16 116.67 1x4e n LYS 45 Ca -0.02 -4.30 0.00 0.00 -1.05 0.00 0.00 58.31 52.95 1x4e n LYS 45 Cb 0.54 -2.26 0.00 0.00 -0.65 0.00 0.00 35.03 32.67 1x4e n LYS 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1x4e h LYS 47 N 4.06 0.00 0.00 0.00 1.57 -0.63 -3.43 116.57 118.14 1x4e h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x4e h LYS 47 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1x4e h LYS 47 CO 0.00 0.11 0.00 0.41 -0.57 0.00 0.00 179.45 179.40 1x4e n GLY 48 N -0.81 1.45 3.19 3.86 0.00 -1.25 -4.97 105.19 106.66 1x4e n GLY 48 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1x4e n GLY 48 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x4e s TYR 49 N -1.45 -0.29 0.07 1.61 2.02 -1.26 0.13 117.35 118.18 1x4e s TYR 49 Ca 0.00 0.67 0.08 0.00 -0.37 0.00 0.00 57.07 57.45 1x4e s TYR 49 Cb 0.00 0.10 -0.03 0.00 -0.40 0.00 0.00 41.96 41.63 1x4e s TYR 49 CO 0.00 -0.20 -0.21 0.20 -1.57 0.00 0.00 175.55 173.76 1x4e s GLY 50 N -0.17 1.20 0.00 0.71 0.00 0.80 -0.98 107.32 108.89 1x4e s GLY 50 Ca -0.03 -1.16 0.02 0.00 0.00 0.00 0.00 44.72 43.55 1x4e s GLY 50 CO 0.01 -1.12 -0.02 -0.12 0.00 0.00 0.00 173.10 171.85 1x4e s PHE 51 N -0.96 3.01 -0.19 1.90 2.19 0.24 -1.15 117.98 123.03 1x4e s PHE 51 Ca 0.08 0.04 -0.04 0.00 0.33 0.00 0.00 56.93 57.34 1x4e s PHE 51 Cb -0.09 -1.65 0.09 0.00 -1.31 0.00 0.00 43.02 40.06 1x4e s PHE 51 CO 0.03 0.43 0.25 0.08 1.83 0.00 0.00 175.22 177.85 1x4e s VAL 52 N -1.06 -0.39 -0.19 3.12 1.01 -1.04 -1.80 120.40 120.05 1x4e s VAL 52 Ca 0.19 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.05 1x4e s VAL 52 Cb -0.11 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 1x4e s VAL 52 CO 0.10 -0.12 0.13 -1.81 0.00 0.00 0.00 175.10 173.39 1x4e s ASP 53 N 2.38 6.19 0.33 3.32 1.01 -0.27 0.13 116.67 129.75 1x4e s ASP 53 Ca 0.07 0.25 0.07 0.00 0.71 0.00 0.00 52.55 53.64 1x4e s ASP 53 Cb -0.15 -2.08 -0.02 0.00 1.01 0.00 0.00 42.92 41.69 1x4e s ASP 53 CO -0.12 0.21 0.39 -0.36 0.21 0.00 0.00 175.17 175.49 1x4e s PHE 54 N 0.19 3.04 -1.01 4.23 0.40 -0.51 -0.45 117.98 123.87 1x4e s PHE 54 Ca 0.09 -0.24 0.20 0.00 -0.60 0.00 0.00 56.93 56.37 1x4e s PHE 54 Cb -0.11 -1.88 0.84 0.00 0.51 0.00 0.00 43.02 42.38 1x4e s PHE 54 CO -0.01 0.10 1.63 -0.40 0.70 0.00 0.00 175.22 177.24 1x4e n ASP 55 N -1.51 0.00 -3.65 1.36 5.75 -0.74 -4.58 116.55 113.18 1x4e n ASP 55 Ca -0.01 0.49 -0.15 0.00 -0.01 0.00 0.00 54.79 55.10 1x4e n ASP 55 Cb 0.59 -0.49 -0.07 0.00 -1.03 0.00 0.00 41.12 40.11 1x4e n ASP 55 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1x4e s SER 56 N -2.99 -0.39 0.38 -1.12 0.01 -1.26 -5.05 113.70 103.28 1x4e s SER 56 Ca 0.10 0.33 0.17 0.00 1.31 0.00 0.00 55.95 57.85 1x4e s SER 56 Cb 0.13 0.42 0.74 0.00 0.21 0.00 0.00 66.02 67.52 1x4e s SER 56 CO 0.36 -0.55 1.79 1.55 0.41 0.00 0.00 173.24 176.80 1x4e h PRO 57 N 3.39 0.00 0.00 12.44 0.13 -1.87 -2.60 132.00 143.50 1x4e h PRO 57 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1x4e h PRO 57 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1x4e h PRO 57 CO 0.40 0.38 0.00 0.45 -0.23 0.00 0.00 178.00 179.00 1x4e n SER 58 N -3.77 0.68 -0.10 1.44 2.88 -1.26 -3.13 113.62 110.36 1x4e n SER 58 Ca -0.01 0.62 -0.21 0.00 -1.33 0.00 0.00 58.87 57.94 1x4e n SER 58 Cb 0.46 -0.78 -0.12 0.00 -0.75 0.00 0.00 64.21 63.02 1x4e n SER 58 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x4e h ALA 59 N 2.40 0.25 -0.85 -1.46 0.00 -1.83 -3.36 119.26 114.40 1x4e h ALA 59 Ca 0.00 -1.16 0.15 0.00 0.00 0.00 0.00 54.91 53.90 1x4e h ALA 59 Cb 0.51 0.69 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 1x4e h ALA 59 CO 0.00 0.65 0.43 0.00 0.00 0.00 0.00 179.25 180.34 1x4e h ALA 60 N -0.46 1.28 -0.61 0.00 0.00 -1.56 -0.96 119.26 116.95 1x4e h ALA 60 Ca -0.32 0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.78 1x4e h ALA 60 Cb 1.28 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 1x4e h ALA 60 CO -0.20 -0.11 0.21 1.96 0.00 0.00 0.00 179.25 181.12 1x4e h GLN 61 N 0.61 0.36 -1.30 0.00 4.20 -1.72 -0.15 115.11 117.11 1x4e h GLN 61 Ca 0.47 -0.02 0.39 0.00 0.06 0.00 0.00 58.65 59.54 1x4e h GLN 61 Cb 0.68 -0.08 -0.09 0.00 0.30 0.00 0.00 27.48 28.28 1x4e h GLN 61 CO -0.37 0.24 0.88 -0.22 -0.67 0.00 0.00 178.83 178.69 1x4e h LYS 62 N 0.37 0.13 0.20 1.46 3.64 -1.31 0.68 116.57 121.74 1x4e h LYS 62 Ca 0.31 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 1x4e h LYS 62 Cb 0.41 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1x4e h LYS 62 CO -0.33 0.08 -0.09 0.00 -2.27 0.00 0.00 179.45 176.84 1x4e h ALA 63 N 1.47 -0.29 -0.95 5.00 0.00 -1.09 -2.99 119.26 120.42 1x4e h ALA 63 Ca 0.71 -0.06 0.25 0.00 0.00 0.00 0.00 54.91 55.81 1x4e h ALA 63 Cb 2.38 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 20.13 1x4e h ALA 63 CO -0.22 -0.27 0.47 0.28 0.00 0.00 0.00 179.25 179.51 1x4e h VAL 64 N -0.96 0.43 -0.15 0.00 2.07 -1.07 0.64 116.25 117.22 1x4e h VAL 64 Ca -0.03 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1x4e h VAL 64 Cb 0.20 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 1x4e h VAL 64 CO 0.04 0.08 0.09 0.74 0.02 0.00 0.00 177.57 178.54 1x4e h THR 65 N 0.41 1.07 0.13 2.57 2.02 -1.02 -2.19 112.91 115.90 1x4e h THR 65 Ca 0.62 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.63 1x4e h THR 65 Cb 1.25 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 1x4e h THR 65 CO -0.55 0.06 -0.06 0.00 0.37 0.00 0.00 175.52 175.35 1x4e h ALA 66 N 1.01 -0.30 -0.76 6.16 0.00 -0.75 -3.29 119.26 121.33 1x4e h ALA 66 Ca 0.05 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.07 1x4e h ALA 66 Cb 0.03 0.07 -0.14 0.00 0.00 0.00 0.00 17.79 17.74 1x4e h ALA 66 CO -0.01 -0.29 -0.20 1.28 0.00 0.00 0.00 179.25 180.02 1x4e n LEU 67 N -3.44 -0.30 -0.21 0.00 4.77 0.20 0.15 117.00 118.16 1x4e n LEU 67 Ca -0.02 1.31 0.01 0.00 -0.03 0.00 0.00 56.01 57.27 1x4e n LEU 67 Cb 0.07 -0.38 0.09 0.00 -2.33 0.00 0.00 43.42 40.86 1x4e n LEU 67 CO 0.05 -1.25 0.78 0.11 -1.33 0.00 0.00 177.39 175.75 1x4e h LYS 68 N 0.00 0.04 0.00 3.23 1.57 -1.51 0.54 116.57 120.44 1x4e h LYS 68 Ca 0.35 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.10 1x4e h LYS 68 Cb 0.54 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1x4e h LYS 68 CO -0.78 0.03 -0.15 0.00 -0.57 0.00 0.00 179.45 177.98 1x4e h ALA 69 N 1.62 1.43 -0.03 3.86 0.00 0.12 -2.13 119.26 124.13 1x4e h ALA 69 Ca 0.32 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1x4e h ALA 69 Cb 0.51 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1x4e h ALA 69 CO -0.61 0.19 -0.40 1.03 0.00 0.00 0.00 179.25 179.46 1x4e h SER 70 N 0.00 0.07 0.00 0.00 0.87 0.82 -3.47 113.55 111.84 1x4e h SER 70 Ca -0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1x4e h SER 70 Cb 0.34 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1x4e h SER 70 CO 0.02 0.47 0.00 0.61 -0.53 0.00 0.00 176.83 177.40 1x4e n GLY 71 N -0.32 1.59 3.45 5.77 0.00 -0.80 -5.10 105.19 109.77 1x4e n GLY 71 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1x4e n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4e s VAL 72 N -2.00 2.87 -0.49 1.61 0.11 -1.18 -5.06 120.40 116.27 1x4e s VAL 72 Ca 0.00 -0.82 -0.28 0.00 -2.93 0.00 0.00 61.98 57.95 1x4e s VAL 72 Cb 0.00 -2.11 -0.00 0.00 -1.53 0.00 0.00 36.38 32.73 1x4e s VAL 72 CO 0.00 0.57 1.63 -1.10 -3.33 0.00 0.00 175.10 172.87 1x4e s GLN 73 N -0.76 3.18 -0.04 1.54 -0.21 -1.26 -4.02 119.66 118.09 1x4e s GLN 73 Ca 0.11 0.83 0.03 0.00 0.02 0.00 0.00 55.36 56.35 1x4e s GLN 73 Cb -0.10 -4.20 0.01 0.00 1.00 0.00 0.00 33.01 29.72 1x4e s GLN 73 CO 0.01 -2.06 -0.11 0.00 -2.12 0.00 0.00 175.29 171.01 1x4e s ALA 74 N 6.95 1.06 0.11 6.09 0.00 -1.26 -0.17 121.76 134.54 1x4e s ALA 74 Ca 0.65 -0.38 -0.02 0.00 0.00 0.00 0.00 51.96 52.21 1x4e s ALA 74 Cb -0.15 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 1x4e s ALA 74 CO 0.27 0.14 0.07 1.14 0.00 0.00 0.00 175.76 177.38 1x4e s GLN 75 N 0.38 0.87 0.00 0.00 -2.07 -0.83 -4.89 119.66 113.12 1x4e s GLN 75 Ca -0.07 -1.33 -0.05 0.00 -1.82 0.00 0.00 55.36 52.09 1x4e s GLN 75 Cb -0.12 0.25 -0.22 0.00 -1.09 0.00 0.00 33.01 31.84 1x4e s GLN 75 CO 0.02 -0.24 3.09 -1.33 -1.32 0.00 0.00 175.29 175.51 1x4e n MET 76 N -0.05 1.66 -2.95 9.60 2.81 -1.26 -0.19 117.12 126.74 1x4e n MET 76 Ca -0.08 -0.80 -0.01 0.00 -1.81 0.00 0.00 57.70 54.99 1x4e n MET 76 Cb 0.63 -1.88 -0.01 0.00 -0.71 0.00 0.00 33.22 31.25 1x4e n MET 76 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x4e n ALA 77 N 2.51 -2.19 -3.35 3.04 0.00 -1.14 -4.76 120.51 114.63 1x4e n ALA 77 Ca 0.35 0.66 -0.13 0.00 0.00 0.00 0.00 53.44 54.32 1x4e n ALA 77 Cb 0.77 -1.61 -0.13 0.00 0.00 0.00 0.00 19.45 18.48 1x4e n ALA 77 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1x4e s LYS 78 N -0.59 0.19 0.16 0.00 2.20 -1.26 -4.99 119.74 115.45 1x4e s LYS 78 Ca -0.07 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.88 1x4e s LYS 78 Cb 0.00 -0.00 0.00 0.00 -1.51 0.00 0.00 37.83 36.32 1x4e s LYS 78 CO 0.29 -0.08 0.00 0.94 -0.36 0.00 0.00 175.35 176.14 1x4e n GLN 79 N 3.50 0.00 -3.50 4.03 -0.06 -1.26 -5.14 117.38 114.95 1x4e n GLN 79 Ca -0.18 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 54.72 1x4e n GLN 79 Cb 0.56 -0.09 -0.03 0.00 -4.06 0.00 0.00 30.24 26.62 1x4e n GLN 79 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1x4e s SER 80 N -5.11 -0.40 0.00 1.69 1.04 -1.26 -5.18 113.70 104.48 1x4e s SER 80 Ca 0.00 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1x4e s SER 80 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1x4e s SER 80 CO 0.00 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1x4e n GLY 81 N -0.09 -0.52 3.62 7.32 0.00 -1.26 -5.10 105.19 109.16 1x4e n GLY 81 Ca -0.10 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 1x4e n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4e s PRO 82 N -1.44 3.71 -0.38 1.61 0.04 -1.26 -4.97 135.00 132.31 1x4e s PRO 82 Ca 0.00 1.58 0.04 0.00 0.04 0.00 0.00 61.00 62.66 1x4e s PRO 82 Cb 0.00 -4.06 0.11 0.00 0.04 0.00 0.00 34.50 30.59 1x4e s PRO 82 CO 0.00 -1.40 0.11 -1.54 0.04 0.00 0.00 177.00 174.20 1x4e s SER 83 N 4.51 4.59 -0.68 6.66 1.04 -1.26 -5.07 113.70 123.50 1x4e s SER 83 Ca 0.72 -2.34 -0.27 0.00 0.48 0.00 0.00 55.95 54.54 1x4e s SER 83 Cb -0.24 -1.57 0.03 0.00 0.10 0.00 0.00 66.02 64.34 1x4e s SER 83 CO 0.30 -0.35 1.24 -0.55 0.98 0.00 0.00 173.24 174.87 1x4e s SER 84 N 0.66 6.27 0.00 7.02 0.15 -1.26 -5.33 113.70 121.21 1x4e s SER 84 Ca 0.12 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1x4e s SER 84 Cb -0.21 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1x4e s SER 84 CO -0.07 -1.70 0.00 0.61 1.20 0.00 0.00 173.24 173.28