#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4e n SER 2 N 0.00 -0.30 -0.55 1.61 2.88 -1.26 -5.13 113.62 110.87 1x4e n SER 2 Ca 0.00 -2.07 0.00 0.00 -1.33 0.00 0.00 58.87 55.47 1x4e n SER 2 Cb 0.00 0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 1x4e n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x4e n SER 3 N -0.45 -3.32 0.00 -3.46 7.64 -1.26 -5.09 113.62 107.68 1x4e n SER 3 Ca -0.12 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1x4e n SER 3 Cb 0.86 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1x4e n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4e n GLY 4 N -1.39 -1.45 3.30 0.23 0.00 -1.26 -5.15 105.19 99.46 1x4e n GLY 4 Ca 0.00 0.61 -0.16 0.00 0.00 0.00 0.00 46.02 46.47 1x4e n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4e s SER 5 N 0.00 1.82 -0.03 1.61 0.01 -1.26 -4.84 113.70 111.00 1x4e s SER 5 Ca 0.00 -1.13 0.21 0.00 1.31 0.00 0.00 55.95 56.34 1x4e s SER 5 Cb 0.00 0.00 -0.28 0.00 0.21 0.00 0.00 66.02 65.95 1x4e s SER 5 CO 0.00 -0.43 0.48 -1.54 0.41 0.00 0.00 173.24 172.16 1x4e n SER 6 N -0.33 0.12 -4.73 2.44 3.41 -1.26 -4.36 113.62 108.91 1x4e n SER 6 Ca -0.07 0.05 -0.41 0.00 -0.26 0.00 0.00 58.87 58.17 1x4e n SER 6 Cb 0.62 1.61 -0.03 0.00 -0.26 0.00 0.00 64.21 66.16 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 -4.67 2.41 0.01 5.00 0.00 -1.26 -2.23 107.32 106.58 1x4e s GLY 7 Ca -0.07 1.11 0.08 0.00 0.00 0.00 0.00 44.72 45.84 1x4e s GLY 7 CO 0.88 2.10 -0.25 1.08 0.00 0.00 0.00 173.10 176.91 1x4e s LEU 8 N 0.02 2.10 -0.32 0.66 1.43 0.13 -2.98 118.68 119.73 1x4e s LEU 8 Ca 0.57 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 1x4e s LEU 8 Cb -0.36 -1.27 0.09 0.00 0.03 0.00 0.00 46.19 44.68 1x4e s LEU 8 CO 0.37 0.28 0.03 -0.47 0.23 0.00 0.00 176.35 176.79 1x4e s TYR 9 N -0.68 3.28 -0.24 0.29 6.14 -0.32 -1.21 117.35 124.62 1x4e s TYR 9 Ca 0.10 -2.62 -0.08 0.00 0.64 0.00 0.00 57.07 55.11 1x4e s TYR 9 Cb -0.10 -2.50 -0.03 0.00 0.42 0.00 0.00 41.96 39.75 1x4e s TYR 9 CO 0.00 -0.91 0.08 0.42 0.64 0.00 0.00 175.55 175.78 1x4e s ILE 10 N 1.07 4.47 0.37 3.14 1.09 -0.38 -1.01 121.20 129.96 1x4e s ILE 10 Ca 0.07 -0.12 0.07 0.00 -1.10 0.00 0.00 60.65 59.57 1x4e s ILE 10 Cb -0.19 -3.08 -0.00 0.00 -1.06 0.00 0.00 42.46 38.13 1x4e s ILE 10 CO -0.10 0.34 0.51 -0.13 -0.10 0.00 0.00 174.94 175.47 1x4e s ARG 11 N 1.47 3.00 -0.20 2.79 0.52 0.51 0.04 118.95 127.08 1x4e s ARG 11 Ca 0.06 -1.11 -0.01 0.00 -0.52 0.00 0.00 55.73 54.16 1x4e s ARG 11 Cb -0.15 -2.79 -0.01 0.00 0.52 0.00 0.00 34.95 32.52 1x4e s ARG 11 CO 0.04 -0.08 0.17 0.41 0.02 0.00 0.00 175.30 175.87 1x4e n GLY 12 N -1.73 0.44 0.00 -3.53 0.00 0.17 -4.16 105.19 96.38 1x4e n GLY 12 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.70 0.00 -4.65 0.99 4.77 -1.16 -5.02 117.00 110.23 1x4e n LEU 13 Ca -0.03 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.72 1x4e n LEU 13 Cb 0.53 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.54 1x4e n LEU 13 CO 0.11 -0.12 -0.31 -1.10 -1.33 0.00 0.00 177.39 174.64 1x4e s GLN 14 N 0.51 2.27 0.53 3.23 -1.52 -1.26 -4.82 119.66 118.59 1x4e s GLN 14 Ca 0.00 -1.47 0.33 0.00 -1.95 0.00 0.00 55.36 52.27 1x4e s GLN 14 Cb 0.00 -2.14 1.37 0.00 -0.22 0.00 0.00 33.01 32.02 1x4e s GLN 14 CO 0.00 0.31 1.97 -1.00 -0.25 0.00 0.00 175.29 176.32 1x4e h PRO 15 N 1.84 0.00 -0.38 2.91 0.13 -1.79 -2.57 132.00 132.14 1x4e h PRO 15 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1x4e h PRO 15 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 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 -0.01 1.29 3.67 1.56 0.00 -1.26 -4.25 105.19 106.19 1x4e n GLY 16 Ca 0.01 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1x4e n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x4e s THR 17 N -1.50 3.61 0.50 2.61 2.01 -0.97 -5.00 115.64 116.90 1x4e s THR 17 Ca 0.36 0.84 0.03 0.00 0.31 0.00 0.00 61.69 63.23 1x4e s THR 17 Cb 0.20 -3.54 0.03 0.00 0.01 0.00 0.00 72.50 69.20 1x4e s THR 17 CO 0.28 -0.05 0.24 0.35 -0.69 0.00 0.00 174.62 174.75 1x4e n THR 18 N 5.21 0.00 -0.06 -0.82 -2.24 -1.26 -4.88 114.28 110.23 1x4e n THR 18 Ca 0.16 -2.14 -0.08 0.00 -2.27 0.00 0.00 64.05 59.72 1x4e n THR 18 Cb 0.43 0.14 -0.01 0.00 -2.10 0.00 0.00 70.33 68.79 1x4e n THR 18 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1x4e h ASP 19 N 0.83 -0.77 -0.04 3.42 1.82 -1.94 -2.25 116.42 117.48 1x4e h ASP 19 Ca -0.36 0.14 0.03 0.00 -0.39 0.00 0.00 57.03 56.46 1x4e h ASP 19 Cb 1.20 0.37 -0.04 0.00 0.68 0.00 0.00 39.33 41.54 1x4e h ASP 19 CO 0.57 -0.27 -0.20 1.56 -1.61 0.00 0.00 179.24 179.28 1x4e h GLN 20 N -0.23 -0.30 -1.00 0.28 4.20 -1.96 -1.59 115.11 114.52 1x4e h GLN 20 Ca 0.15 0.02 0.36 0.00 0.06 0.00 0.00 58.65 59.24 1x4e h GLN 20 Cb 0.46 0.07 -0.16 0.00 0.30 0.00 0.00 27.48 28.14 1x4e h GLN 20 CO -0.41 -0.20 0.54 -0.44 -0.67 0.00 0.00 178.83 177.66 1x4e h ASP 21 N -0.31 0.41 -0.38 1.46 3.32 -1.80 0.67 116.42 119.79 1x4e h ASP 21 Ca 0.07 0.22 -0.07 0.00 0.02 0.00 0.00 57.03 57.27 1x4e h ASP 21 Cb 0.41 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1x4e h ASP 21 CO -0.22 -0.26 -0.04 -0.07 -1.72 0.00 0.00 179.24 176.93 1x4e h LEU 22 N 0.19 0.69 -0.55 1.55 3.38 -0.95 -2.70 115.31 116.91 1x4e h LEU 22 Ca 0.77 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 58.48 1x4e h LEU 22 Cb 1.88 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 42.39 1x4e h LEU 22 CO -0.68 0.86 0.24 0.58 0.09 0.00 0.00 178.44 179.53 1x4e h VAL 23 N 0.51 0.86 0.00 1.22 2.07 0.65 0.83 116.25 122.39 1x4e h VAL 23 Ca 0.10 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1x4e h VAL 23 Cb 0.53 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1x4e h VAL 23 CO 0.03 0.08 0.00 0.11 0.02 0.00 0.00 177.57 177.81 1x4e h LYS 24 N 0.45 0.00 -0.81 1.57 1.57 -1.28 0.51 116.57 118.58 1x4e h LYS 24 Ca 0.26 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 1x4e h LYS 24 Cb 0.25 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 1x4e h LYS 24 CO -0.23 0.00 0.42 1.25 -0.57 0.00 0.00 179.45 180.31 1x4e h LEU 25 N 0.00 1.03 -3.44 2.94 5.85 -0.49 -3.32 115.31 117.88 1x4e h LEU 25 Ca 0.00 -0.12 -0.19 0.00 0.84 0.00 0.00 57.88 58.41 1x4e h LEU 25 Cb 0.36 -0.26 -0.38 0.00 0.37 0.00 0.00 40.66 40.74 1x4e h LEU 25 CO 0.00 0.85 -1.03 0.00 -0.34 0.00 0.00 178.44 177.92 1x4e h GLN 27 N 1.27 -0.92 0.00 0.00 4.15 -0.08 -2.84 115.11 116.69 1x4e h GLN 27 Ca -0.22 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.26 1x4e h GLN 27 Cb 1.77 0.21 0.00 0.00 0.21 0.00 0.00 27.48 29.67 1x4e h GLN 27 CO 0.10 -0.59 0.00 -0.35 -1.93 0.00 0.00 178.83 176.06 1x4e n PRO 28 N -5.43 0.49 0.05 -2.39 -0.04 -1.26 -2.69 135.00 123.73 1x4e n PRO 28 Ca -0.13 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.11 1x4e n PRO 28 Cb 0.39 -1.36 -0.15 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.62 -0.59 0.54 -1.99 -1.87 -3.50 116.97 110.17 1x4e h TYR 29 Ca 0.00 -0.45 0.00 0.00 2.00 0.00 0.00 58.73 60.28 1x4e h TYR 29 Cb 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.71 1x4e h TYR 29 CO 0.00 1.69 0.00 0.41 -0.00 0.00 0.00 178.16 180.26 1x4e n GLY 30 N 1.90 0.66 3.66 3.88 0.00 -1.09 -4.96 105.19 109.22 1x4e n GLY 30 Ca -0.27 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.58 4.21 -0.33 1.61 2.20 -1.26 -4.73 119.74 120.85 1x4e s LYS 31 Ca 0.00 1.48 -0.10 0.00 -0.36 0.00 0.00 55.97 56.99 1x4e s LYS 31 Cb 0.00 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 1x4e s LYS 31 CO 0.00 -0.73 0.17 0.42 -0.36 0.00 0.00 175.35 174.85 1x4e s ILE 32 N 3.47 4.62 0.01 5.43 1.01 -1.26 -1.65 121.20 132.83 1x4e s ILE 32 Ca 0.50 -0.54 -0.20 0.00 0.00 0.00 0.00 60.65 60.42 1x4e s ILE 32 Cb -0.18 -3.42 -0.11 0.00 0.01 0.00 0.00 42.46 38.76 1x4e s ILE 32 CO 0.12 -0.02 0.98 0.58 0.00 0.00 0.00 174.94 176.60 1x4e h VAL 33 N 5.71 0.00 -2.37 2.92 2.07 -1.23 -3.46 116.25 119.89 1x4e h VAL 33 Ca -0.30 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 1x4e h VAL 33 Cb 1.13 0.00 -0.21 0.00 -1.52 0.00 0.00 31.29 30.69 1x4e h VAL 33 CO 0.63 0.00 -0.01 -0.44 0.02 0.00 0.00 177.57 177.77 1x4e s SER 34 N -3.99 -0.54 0.04 0.57 0.01 -1.23 -5.04 113.70 103.51 1x4e s SER 34 Ca -0.10 0.83 0.04 0.00 1.31 0.00 0.00 55.95 58.02 1x4e s SER 34 Cb 0.01 0.83 -0.04 0.00 0.21 0.00 0.00 66.02 67.03 1x4e s SER 34 CO 0.31 -0.37 -0.03 0.42 0.41 0.00 0.00 173.24 173.98 1x4e s THR 35 N -0.45 3.86 -0.17 1.44 -4.23 -1.26 -1.90 115.64 112.94 1x4e s THR 35 Ca -0.06 -0.83 -0.04 0.00 -1.18 0.00 0.00 61.69 59.57 1x4e s THR 35 Cb -0.03 -2.75 0.07 0.00 1.34 0.00 0.00 72.50 71.13 1x4e s THR 35 CO 0.04 0.29 0.14 -0.75 -0.54 0.00 0.00 174.62 173.80 1x4e s LYS 36 N -1.78 0.09 -0.17 3.99 2.47 -0.03 -4.93 119.74 119.39 1x4e s LYS 36 Ca 0.21 0.10 -0.25 0.00 -1.56 0.00 0.00 55.97 54.47 1x4e s LYS 36 Cb -0.11 -1.39 -0.02 0.00 -1.46 0.00 0.00 37.83 34.85 1x4e s LYS 36 CO 0.12 -0.61 0.81 0.00 0.16 0.00 0.00 175.35 175.82 1x4e s ALA 37 N 2.22 3.51 -0.50 3.13 0.00 -1.26 0.67 121.76 129.53 1x4e s ALA 37 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 51.96 51.72 1x4e s ALA 37 Cb -0.15 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.78 1x4e s ALA 37 CO -0.09 -0.63 1.51 0.42 0.00 0.00 0.00 175.76 176.97 1x4e s ILE 38 N 2.09 3.73 0.22 0.00 -1.09 -0.05 -4.93 121.20 121.17 1x4e s ILE 38 Ca 0.37 0.66 0.09 0.00 -2.23 0.00 0.00 60.65 59.54 1x4e s ILE 38 Cb -0.16 -4.23 -0.04 0.00 -1.58 0.00 0.00 42.46 36.44 1x4e s ILE 38 CO 0.12 -0.95 -0.04 -0.76 -1.23 0.00 0.00 174.94 172.08 1x4e s LEU 39 N 6.33 3.13 0.87 2.97 1.43 -1.26 -2.00 118.68 130.15 1x4e s LEU 39 Ca 0.59 -0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 53.01 1x4e s LEU 39 Cb -0.13 -1.74 0.11 0.00 0.03 0.00 0.00 46.19 44.47 1x4e s LEU 39 CO 0.27 0.06 1.10 -1.81 0.23 0.00 0.00 176.35 176.20 1x4e s ASP 40 N -3.22 3.59 0.19 2.29 1.01 -1.26 -4.73 116.67 114.54 1x4e s ASP 40 Ca 0.28 1.81 0.21 0.00 0.71 0.00 0.00 52.55 55.56 1x4e s ASP 40 Cb -0.08 -2.43 -0.01 0.00 1.01 0.00 0.00 42.92 41.42 1x4e s ASP 40 CO 0.18 -2.61 1.05 0.11 0.21 0.00 0.00 175.17 174.10 1x4e h LYS 41 N -1.53 0.00 0.00 8.23 1.57 -2.00 -2.87 116.57 119.98 1x4e h LYS 41 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 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 0.50 0.10 -0.31 2.41 -0.57 0.00 0.00 179.45 181.57 1x4e n THR 42 N -2.80 0.54 0.06 -0.16 -1.04 -1.26 -4.68 114.28 104.95 1x4e n THR 42 Ca -0.02 0.38 -0.06 0.00 -2.04 0.00 0.00 64.05 62.30 1x4e n THR 42 Cb 0.64 -1.82 -0.11 0.00 -1.82 0.00 0.00 70.33 67.22 1x4e n THR 42 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1x4e h THR 43 N -0.37 1.65 -6.45 12.58 1.35 -1.99 -3.47 112.91 116.20 1x4e h THR 43 Ca 0.00 -3.34 -0.50 0.00 -0.55 0.00 0.00 66.41 62.03 1x4e h THR 43 Cb 0.31 2.81 -0.08 0.00 -1.73 0.00 0.00 68.15 69.47 1x4e h THR 43 CO 0.00 0.94 -0.81 -3.20 -0.25 0.00 0.00 175.52 172.19 1x4e n ASN 44 N -3.33 -3.09 -2.43 5.36 5.15 -1.08 -4.87 115.26 110.96 1x4e n ASN 44 Ca -0.00 -0.90 -0.30 0.00 -0.60 0.00 0.00 54.58 52.78 1x4e n ASN 44 Cb 0.93 -3.41 0.03 0.00 -0.53 0.00 0.00 39.78 36.80 1x4e n ASN 44 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1x4e n LYS 45 N -4.50 3.21 -2.79 1.20 2.85 -1.26 -4.66 118.16 112.20 1x4e n LYS 45 Ca -0.05 -4.00 -0.02 0.00 -1.05 0.00 0.00 58.31 53.19 1x4e n LYS 45 Cb 0.56 -2.27 -0.01 0.00 -0.65 0.00 0.00 35.03 32.66 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 3.64 0.08 0.00 0.00 1.57 -1.69 -3.41 116.57 116.76 1x4e h LYS 47 Ca -0.17 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1x4e h LYS 47 Cb 0.53 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1x4e h LYS 47 CO 0.05 0.05 0.00 0.41 -0.57 0.00 0.00 179.45 179.39 1x4e n GLY 48 N -1.69 1.03 2.99 3.86 0.00 -1.26 -4.95 105.19 105.18 1x4e n GLY 48 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.03 0.01 0.02 1.61 2.02 -1.26 0.45 117.35 119.16 1x4e s TYR 49 Ca 0.00 -0.00 0.04 0.00 -0.37 0.00 0.00 57.07 56.74 1x4e s TYR 49 Cb 0.00 -0.03 -0.02 0.00 -0.40 0.00 0.00 41.96 41.51 1x4e s TYR 49 CO 0.00 -0.12 -0.13 0.20 -1.57 0.00 0.00 175.55 173.93 1x4e s GLY 50 N -0.56 0.70 -0.11 0.71 0.00 0.11 -0.87 107.32 107.30 1x4e s GLY 50 Ca -0.06 -0.69 -0.02 0.00 0.00 0.00 0.00 44.72 43.95 1x4e s GLY 50 CO 0.00 -0.64 -0.03 -0.12 0.00 0.00 0.00 173.10 172.31 1x4e s PHE 51 N -0.61 3.04 -0.20 1.90 2.19 0.21 -1.25 117.98 123.27 1x4e s PHE 51 Ca 0.03 -0.03 -0.04 0.00 0.33 0.00 0.00 56.93 57.21 1x4e s PHE 51 Cb -0.06 -1.83 0.07 0.00 -1.31 0.00 0.00 43.02 39.88 1x4e s PHE 51 CO 0.00 0.24 0.08 0.08 1.83 0.00 0.00 175.22 177.46 1x4e s VAL 52 N -0.40 0.09 0.01 3.12 1.01 -0.35 -0.85 120.40 123.04 1x4e s VAL 52 Ca 0.07 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.58 1x4e s VAL 52 Cb -0.12 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 1x4e s VAL 52 CO 0.02 -0.33 0.33 -1.81 0.00 0.00 0.00 175.10 173.30 1x4e s ASP 53 N 2.05 6.60 0.28 3.32 1.01 -0.80 0.21 116.67 129.35 1x4e s ASP 53 Ca 0.02 0.72 0.11 0.00 0.71 0.00 0.00 52.55 54.11 1x4e s ASP 53 Cb -0.16 -2.15 -0.05 0.00 1.01 0.00 0.00 42.92 41.57 1x4e s ASP 53 CO -0.13 0.27 -0.10 -0.36 0.21 0.00 0.00 175.17 175.06 1x4e s PHE 54 N -1.24 2.48 -1.44 4.23 0.40 -0.95 -0.82 117.98 120.65 1x4e s PHE 54 Ca 0.26 -0.30 0.17 0.00 -0.60 0.00 0.00 56.93 56.46 1x4e s PHE 54 Cb -0.14 -1.14 0.88 0.00 0.51 0.00 0.00 43.02 43.13 1x4e s PHE 54 CO 0.14 0.65 1.51 -0.40 0.70 0.00 0.00 175.22 177.83 1x4e n ASP 55 N -0.77 0.00 -3.59 1.36 5.75 -0.66 -4.60 116.55 114.05 1x4e n ASP 55 Ca -0.05 0.03 -0.17 0.00 -0.01 0.00 0.00 54.79 54.59 1x4e n ASP 55 Cb 0.60 -0.28 -0.07 0.00 -1.03 0.00 0.00 41.12 40.34 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 -2.56 -0.57 0.19 -1.12 0.01 -1.26 -5.06 113.70 103.33 1x4e s SER 56 Ca 0.16 0.68 -0.05 0.00 1.31 0.00 0.00 55.95 58.05 1x4e s SER 56 Cb 0.12 0.60 0.12 0.00 0.21 0.00 0.00 66.02 67.07 1x4e s SER 56 CO 0.26 -0.52 1.54 1.55 0.41 0.00 0.00 173.24 176.48 1x4e h PRO 57 N 3.46 0.69 0.00 12.44 0.13 -1.85 -2.76 132.00 144.11 1x4e h PRO 57 Ca -0.28 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 1x4e h PRO 57 Cb 1.15 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1x4e h PRO 57 CO 0.35 0.97 0.00 0.45 -0.23 0.00 0.00 178.00 179.55 1x4e n SER 58 N -4.03 0.57 -0.08 1.44 2.88 -1.26 -2.66 113.62 110.48 1x4e n SER 58 Ca -0.02 0.67 -0.21 0.00 -1.33 0.00 0.00 58.87 57.99 1x4e n SER 58 Cb 0.54 -0.78 -0.12 0.00 -0.75 0.00 0.00 64.21 63.09 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 2.20 0.24 -0.43 -1.46 0.00 -1.85 -3.37 119.26 114.59 1x4e h ALA 59 Ca 0.00 -1.13 0.07 0.00 0.00 0.00 0.00 54.91 53.85 1x4e h ALA 59 Cb 0.25 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1x4e h ALA 59 CO 0.00 0.68 0.09 0.00 0.00 0.00 0.00 179.25 180.02 1x4e h ALA 60 N -0.35 0.47 -0.84 0.00 0.00 -1.36 -2.01 119.26 115.17 1x4e h ALA 60 Ca -0.31 0.08 0.21 0.00 0.00 0.00 0.00 54.91 54.90 1x4e h ALA 60 Cb 1.36 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 19.12 1x4e h ALA 60 CO -0.14 -0.31 0.11 1.96 0.00 0.00 0.00 179.25 180.87 1x4e h GLN 61 N 0.22 0.14 -0.99 0.00 4.20 -1.69 0.27 115.11 117.26 1x4e h GLN 61 Ca 0.21 -0.01 0.34 0.00 0.06 0.00 0.00 58.65 59.25 1x4e h GLN 61 Cb 0.25 -0.03 -0.16 0.00 0.30 0.00 0.00 27.48 27.84 1x4e h GLN 61 CO -0.27 0.09 0.46 -0.22 -0.67 0.00 0.00 178.83 178.22 1x4e h LYS 62 N 0.14 0.15 0.33 1.46 3.64 -1.52 -0.08 116.57 120.70 1x4e h LYS 62 Ca 0.50 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.85 1x4e h LYS 62 Cb 0.95 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1x4e h LYS 62 CO -0.69 0.10 -0.16 0.00 -2.27 0.00 0.00 179.45 176.43 1x4e h ALA 63 N 1.92 -0.69 -0.97 5.00 0.00 -0.57 -2.70 119.26 121.25 1x4e h ALA 63 Ca 0.74 -0.10 0.32 0.00 0.00 0.00 0.00 54.91 55.88 1x4e h ALA 63 Cb 1.78 0.17 -0.17 0.00 0.00 0.00 0.00 17.79 19.57 1x4e h ALA 63 CO -0.71 -0.66 0.28 0.28 0.00 0.00 0.00 179.25 178.44 1x4e h VAL 64 N -0.69 0.09 -0.24 0.00 2.07 -1.19 0.87 116.25 117.16 1x4e h VAL 64 Ca -0.05 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1x4e h VAL 64 Cb 0.34 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1x4e h VAL 64 CO 0.07 0.01 0.14 0.74 0.02 0.00 0.00 177.57 178.56 1x4e h THR 65 N 0.07 1.10 0.13 2.57 2.02 -1.09 -2.19 112.91 115.52 1x4e h THR 65 Ca 0.69 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.62 1x4e h THR 65 Cb 1.59 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1x4e h THR 65 CO -0.80 0.10 -0.06 0.00 0.37 0.00 0.00 175.52 175.12 1x4e h ALA 66 N 1.04 -0.25 -0.81 6.16 0.00 0.34 -3.27 119.26 122.46 1x4e h ALA 66 Ca 0.09 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.10 1x4e h ALA 66 Cb 0.03 0.07 -0.14 0.00 0.00 0.00 0.00 17.79 17.75 1x4e h ALA 66 CO -0.02 -0.24 -0.25 1.28 0.00 0.00 0.00 179.25 180.02 1x4e n LEU 67 N -3.89 -0.39 -0.16 0.00 4.77 0.25 0.10 117.00 117.68 1x4e n LEU 67 Ca -0.02 1.41 -0.03 0.00 -0.03 0.00 0.00 56.01 57.33 1x4e n LEU 67 Cb 0.07 -0.38 0.03 0.00 -2.33 0.00 0.00 43.42 40.81 1x4e n LEU 67 CO 0.05 -1.31 0.74 0.11 -1.33 0.00 0.00 177.39 175.65 1x4e h LYS 68 N 0.00 -0.04 0.00 3.23 1.57 -1.52 0.27 116.57 120.08 1x4e h LYS 68 Ca 0.34 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.12 1x4e h LYS 68 Cb 0.55 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1x4e h LYS 68 CO -0.83 -0.03 -0.04 0.00 -0.57 0.00 0.00 179.45 177.99 1x4e h ALA 69 N 1.41 1.93 0.00 3.86 0.00 0.64 -1.14 119.26 125.95 1x4e h ALA 69 Ca 0.24 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1x4e h ALA 69 Cb 0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1x4e h ALA 69 CO -0.54 0.05 -0.32 1.03 0.00 0.00 0.00 179.25 179.47 1x4e h SER 70 N 0.00 0.00 0.00 0.00 0.87 0.56 -3.46 113.55 111.52 1x4e h SER 70 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1x4e h SER 70 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1x4e h SER 70 CO 0.01 0.32 0.00 0.61 -0.53 0.00 0.00 176.83 177.24 1x4e n GLY 71 N -0.34 1.87 3.26 5.77 0.00 -0.43 -5.10 105.19 110.22 1x4e n GLY 71 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 1.93 -0.58 1.61 0.11 -1.14 -5.05 120.40 115.28 1x4e s VAL 72 Ca 0.00 -1.01 -0.26 0.00 -2.93 0.00 0.00 61.98 57.77 1x4e s VAL 72 Cb 0.00 -1.62 -0.03 0.00 -1.53 0.00 0.00 36.38 33.20 1x4e s VAL 72 CO 0.00 0.54 1.98 -1.10 -3.33 0.00 0.00 175.10 173.19 1x4e s GLN 73 N -0.28 2.52 -0.13 1.54 -0.21 -1.26 -3.96 119.66 117.88 1x4e s GLN 73 Ca 0.01 0.79 0.01 0.00 0.02 0.00 0.00 55.36 56.19 1x4e s GLN 73 Cb -0.12 -4.43 0.02 0.00 1.00 0.00 0.00 33.01 29.48 1x4e s GLN 73 CO 0.02 -2.84 -0.14 0.00 -2.12 0.00 0.00 175.29 170.21 1x4e s ALA 74 N 9.71 1.78 0.43 6.09 0.00 -1.26 -0.36 121.76 138.14 1x4e s ALA 74 Ca 0.74 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.92 1x4e s ALA 74 Cb -0.14 -0.98 -0.06 0.00 0.00 0.00 0.00 23.12 21.94 1x4e s ALA 74 CO 0.22 -0.29 0.01 -0.65 0.00 0.00 0.00 175.76 175.06 1x4e s GLN 75 N 1.34 1.99 -0.25 0.00 -1.52 -0.18 -4.86 119.66 116.18 1x4e s GLN 75 Ca 0.01 -2.16 -0.02 0.00 -1.95 0.00 0.00 55.36 51.25 1x4e s GLN 75 Cb -0.13 -1.56 0.10 0.00 -0.22 0.00 0.00 33.01 31.19 1x4e s GLN 75 CO -0.08 -0.13 2.32 -1.33 -0.25 0.00 0.00 175.29 175.82 1x4e n MET 76 N -1.01 1.79 -3.77 2.91 2.81 -1.26 -1.17 117.12 117.41 1x4e n MET 76 Ca -0.08 -1.37 -0.31 0.00 -1.81 0.00 0.00 57.70 54.13 1x4e n MET 76 Cb 0.67 -1.64 -0.06 0.00 -0.71 0.00 0.00 33.22 31.48 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 0.87 -0.94 -1.48 3.04 0.00 -1.16 -4.58 120.51 116.26 1x4e n ALA 77 Ca 0.29 -0.15 -0.16 0.00 0.00 0.00 0.00 53.44 53.42 1x4e n ALA 77 Cb 0.59 -1.87 -0.14 0.00 0.00 0.00 0.00 19.45 18.03 1x4e n ALA 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1x4e n LYS 78 N -3.21 0.23 -2.19 0.00 4.81 -1.26 -4.31 118.16 112.23 1x4e n LYS 78 Ca 0.09 -0.48 -0.02 0.00 -0.87 0.00 0.00 58.31 57.03 1x4e n LYS 78 Cb 0.36 -2.30 0.08 0.00 0.02 0.00 0.00 35.03 33.19 1x4e n LYS 78 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1x4e n GLN 79 N 6.92 0.87 -3.64 1.64 7.27 -1.26 -5.11 117.38 124.07 1x4e n GLN 79 Ca 0.51 -0.83 -0.12 0.00 0.07 0.00 0.00 57.00 56.63 1x4e n GLN 79 Cb 0.31 0.32 -0.12 0.00 2.41 0.00 0.00 30.24 33.17 1x4e n GLN 79 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1x4e s SER 80 N -0.78 0.17 0.46 1.69 0.15 -1.26 -5.15 113.70 108.98 1x4e s SER 80 Ca 0.06 0.69 -0.23 0.00 0.70 0.00 0.00 55.95 57.16 1x4e s SER 80 Cb 0.29 0.94 -0.07 0.00 -1.71 0.00 0.00 66.02 65.47 1x4e s SER 80 CO -0.08 -0.24 1.18 -0.83 1.20 0.00 0.00 173.24 174.47 1x4e s GLY 81 N 2.49 2.79 -0.61 9.45 0.00 -1.26 -4.92 107.32 115.26 1x4e s GLY 81 Ca 0.01 0.97 -0.26 0.00 0.00 0.00 0.00 44.72 45.44 1x4e s GLY 81 CO -0.11 1.44 1.86 2.56 0.00 0.00 0.00 173.10 178.85 1x4e s PRO 82 N -2.69 2.62 1.00 2.90 0.04 -1.26 -4.96 135.00 132.66 1x4e s PRO 82 Ca 0.64 0.61 -0.19 0.00 0.04 0.00 0.00 61.00 62.10 1x4e s PRO 82 Cb -0.30 -4.39 -0.09 0.00 0.04 0.00 0.00 34.50 29.76 1x4e s PRO 82 CO 0.36 -2.74 -0.62 0.43 0.04 0.00 0.00 177.00 174.47 1x4e n SER 83 N 12.77 -4.07 -1.77 6.66 7.64 -1.26 -4.82 113.62 128.78 1x4e n SER 83 Ca 0.20 0.13 -0.15 0.00 1.01 0.00 0.00 58.87 60.07 1x4e n SER 83 Cb 0.52 -0.82 0.10 0.00 -1.01 0.00 0.00 64.21 63.00 1x4e n SER 83 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x4e n SER 84 N 1.83 3.78 0.00 6.43 7.64 -1.26 -5.20 113.62 126.84 1x4e n SER 84 Ca 0.00 -3.01 0.00 0.00 1.01 0.00 0.00 58.87 56.87 1x4e n SER 84 Cb 0.61 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1x4e n SER 84 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64