#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 2.06 -0.26 1.61 0.15 -1.26 -5.01 113.70 110.98 1x4e s SER 2 Ca 0.00 -0.70 -0.14 0.00 0.70 0.00 0.00 55.95 55.81 1x4e s SER 2 Cb 0.00 0.22 -0.11 0.00 -1.71 0.00 0.00 66.02 64.42 1x4e s SER 2 CO 0.00 -0.38 -0.35 -0.24 1.20 0.00 0.00 173.24 173.47 1x4e n SER 3 N 5.30 1.92 0.00 5.45 2.88 -1.26 -5.11 113.62 122.80 1x4e n SER 3 Ca -0.04 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1x4e n SER 3 Cb 0.47 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 1x4e n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4e n GLY 4 N 1.31 3.28 3.61 0.46 0.00 -1.26 -5.19 105.19 107.40 1x4e n GLY 4 Ca -0.49 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.49 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 2.00 -0.09 0.00 1.61 0.01 -1.26 -5.02 113.70 110.94 1x4e s SER 5 Ca 0.00 -0.07 0.23 0.00 1.31 0.00 0.00 55.95 57.42 1x4e s SER 5 Cb 0.00 0.15 0.14 0.00 0.21 0.00 0.00 66.02 66.52 1x4e s SER 5 CO 0.00 -0.26 1.17 -1.54 0.41 0.00 0.00 173.24 173.02 1x4e n SER 6 N -0.29 1.48 -4.72 2.44 3.41 -1.26 -4.37 113.62 110.31 1x4e n SER 6 Ca -0.04 -1.18 -0.41 0.00 -0.26 0.00 0.00 58.87 56.99 1x4e n SER 6 Cb 0.60 0.50 -0.04 0.00 -0.26 0.00 0.00 64.21 65.02 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 -2.64 2.77 0.28 5.00 0.00 -1.26 -0.20 107.32 111.28 1x4e s GLY 7 Ca 0.17 0.32 0.11 0.00 0.00 0.00 0.00 44.72 45.32 1x4e s GLY 7 CO 0.64 1.34 -0.09 1.08 0.00 0.00 0.00 173.10 176.07 1x4e s LEU 8 N 0.64 2.90 -0.28 0.66 1.43 0.12 -2.23 118.68 121.93 1x4e s LEU 8 Ca 0.43 -0.85 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 1x4e s LEU 8 Cb -0.20 -1.40 0.11 0.00 0.03 0.00 0.00 46.19 44.74 1x4e s LEU 8 CO 0.23 -0.00 0.22 -0.47 0.23 0.00 0.00 176.35 176.56 1x4e s TYR 9 N -2.43 -0.12 -0.17 0.29 6.14 0.30 -2.26 117.35 119.10 1x4e s TYR 9 Ca 0.31 -0.41 -0.09 0.00 0.64 0.00 0.00 57.07 57.52 1x4e s TYR 9 Cb -0.05 -0.63 -0.05 0.00 0.42 0.00 0.00 41.96 41.65 1x4e s TYR 9 CO 0.18 -0.84 0.13 0.42 0.64 0.00 0.00 175.55 176.07 1x4e s ILE 10 N 2.25 5.38 0.26 3.14 1.09 -0.26 -2.04 121.20 131.02 1x4e s ILE 10 Ca 0.09 0.17 0.08 0.00 -1.10 0.00 0.00 60.65 59.90 1x4e s ILE 10 Cb -0.15 -3.42 -0.04 0.00 -1.06 0.00 0.00 42.46 37.79 1x4e s ILE 10 CO -0.32 0.50 0.08 -0.13 -0.10 0.00 0.00 174.94 174.98 1x4e s ARG 11 N -0.11 2.56 0.00 2.79 0.52 0.41 -0.09 118.95 125.03 1x4e s ARG 11 Ca 0.10 -1.27 0.00 0.00 -0.52 0.00 0.00 55.73 54.04 1x4e s ARG 11 Cb -0.11 -2.33 0.00 0.00 0.52 0.00 0.00 34.95 33.02 1x4e s ARG 11 CO 0.00 0.38 0.00 0.41 0.02 0.00 0.00 175.30 176.11 1x4e n GLY 12 N -1.02 0.73 0.00 -3.53 0.00 0.21 -4.10 105.19 97.47 1x4e n GLY 12 Ca -0.07 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.28 0.00 -4.70 0.99 4.77 -0.97 -5.01 117.00 110.80 1x4e n LEU 13 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 1x4e n LEU 13 Cb 0.45 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 1x4e n LEU 13 CO 0.00 -0.02 -0.26 -1.10 -1.33 0.00 0.00 177.39 174.68 1x4e s GLN 14 N 1.38 2.40 0.51 3.23 -1.52 -1.26 -4.86 119.66 119.54 1x4e s GLN 14 Ca 0.00 -1.42 0.30 0.00 -1.95 0.00 0.00 55.36 52.29 1x4e s GLN 14 Cb 0.00 -2.22 1.26 0.00 -0.22 0.00 0.00 33.01 31.83 1x4e s GLN 14 CO 0.00 0.27 1.95 -1.00 -0.25 0.00 0.00 175.29 176.26 1x4e h PRO 15 N 1.70 0.00 -0.27 2.91 0.13 -1.89 -2.64 132.00 131.94 1x4e h PRO 15 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.62 0.09 0.00 0.41 -0.23 0.00 0.00 178.00 178.89 1x4e n GLY 16 N -0.04 1.19 3.69 1.56 0.00 -1.26 -3.76 105.19 106.56 1x4e n GLY 16 Ca 0.00 -0.64 -0.44 0.00 0.00 0.00 0.00 46.02 44.94 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 1.11 0.01 -4.43 2.61 -1.04 -0.99 -4.99 114.28 106.54 1x4e n THR 17 Ca 0.18 -0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.88 1x4e n THR 17 Cb 0.52 -1.72 -0.04 0.00 -1.82 0.00 0.00 70.33 67.27 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 1.04 1.24 0.07 12.58 -4.23 -1.26 -4.84 115.64 120.25 1x4e s THR 18 Ca 0.77 -1.80 -0.35 0.00 -1.18 0.00 0.00 61.69 59.13 1x4e s THR 18 Cb -0.61 -2.04 -0.18 0.00 1.34 0.00 0.00 72.50 71.01 1x4e s THR 18 CO 0.36 0.00 1.53 -2.24 -0.54 0.00 0.00 174.62 173.73 1x4e h ASP 19 N 1.06 -1.23 -0.78 3.99 2.03 -1.94 -2.78 116.42 116.77 1x4e h ASP 19 Ca -0.41 0.08 0.18 0.00 -0.73 0.00 0.00 57.03 56.15 1x4e h ASP 19 Cb 1.32 0.37 -0.12 0.00 -0.83 0.00 0.00 39.33 40.07 1x4e h ASP 19 CO 0.67 -0.71 0.21 1.56 -1.03 0.00 0.00 179.24 179.94 1x4e h GLN 20 N -1.12 0.27 -1.09 4.15 4.20 -1.97 0.20 115.11 119.75 1x4e h GLN 20 Ca -0.09 -0.02 0.32 0.00 0.06 0.00 0.00 58.65 58.93 1x4e h GLN 20 Cb 0.91 -0.06 -0.13 0.00 0.30 0.00 0.00 27.48 28.50 1x4e h GLN 20 CO 0.06 0.18 0.67 0.22 -0.67 0.00 0.00 178.83 179.29 1x4e h ASP 21 N 0.28 0.45 -0.45 1.46 1.82 -1.89 0.48 116.42 118.57 1x4e h ASP 21 Ca 0.46 0.14 -0.11 0.00 -0.39 0.00 0.00 57.03 57.13 1x4e h ASP 21 Cb 0.81 0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.90 1x4e h ASP 21 CO -0.54 -0.06 -0.14 -0.07 -1.61 0.00 0.00 179.24 176.82 1x4e h LEU 22 N 0.31 0.89 -0.85 2.28 3.38 -0.53 -2.82 115.31 117.98 1x4e h LEU 22 Ca 0.70 -0.38 0.09 0.00 0.09 0.00 0.00 57.88 58.39 1x4e h LEU 22 Cb 1.79 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 42.23 1x4e h LEU 22 CO -0.46 1.07 0.50 0.58 0.09 0.00 0.00 178.44 180.22 1x4e h VAL 23 N 0.72 0.94 0.00 1.22 2.07 0.04 0.85 116.25 122.08 1x4e h VAL 23 Ca 0.11 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1x4e h VAL 23 Cb 0.69 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1x4e h VAL 23 CO 0.05 0.15 -0.02 0.11 0.02 0.00 0.00 177.57 177.89 1x4e h LYS 24 N 0.85 0.00 -0.42 1.57 1.57 -1.33 0.70 116.57 119.51 1x4e h LYS 24 Ca 0.40 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.18 1x4e h LYS 24 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1x4e h LYS 24 CO -0.23 0.02 0.24 1.25 -0.57 0.00 0.00 179.45 180.15 1x4e h LEU 25 N 0.00 0.50 -3.04 2.94 5.85 -0.57 -3.29 115.31 117.70 1x4e h LEU 25 Ca -0.00 -0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.52 1x4e h LEU 25 Cb 0.57 -0.13 -0.31 0.00 0.37 0.00 0.00 40.66 41.16 1x4e h LEU 25 CO 0.00 0.40 -0.81 0.00 -0.34 0.00 0.00 178.44 177.69 1x4e h GLN 27 N 0.87 -0.79 0.00 0.00 4.15 0.35 -2.91 115.11 116.79 1x4e h GLN 27 Ca -0.33 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.15 1x4e h GLN 27 Cb 1.68 0.18 0.00 0.00 0.21 0.00 0.00 27.48 29.55 1x4e h GLN 27 CO -0.01 -0.48 0.00 -0.35 -1.93 0.00 0.00 178.83 176.06 1x4e n PRO 28 N -5.35 0.49 0.04 -2.39 -0.04 -1.26 -2.76 135.00 123.73 1x4e n PRO 28 Ca -0.12 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.12 1x4e n PRO 28 Cb 0.35 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 32.22 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 0.58 -0.54 0.54 -1.99 -1.88 -3.50 116.97 110.17 1x4e h TYR 29 Ca 0.00 -0.42 0.00 0.00 2.00 0.00 0.00 58.73 60.31 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 1.62 0.00 0.41 -0.00 0.00 0.00 178.16 180.19 1x4e n GLY 30 N 1.81 0.90 3.69 3.88 0.00 -1.11 -4.96 105.19 109.40 1x4e n GLY 30 Ca -0.25 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.16 4.38 -0.35 1.61 2.20 -1.26 -4.72 119.74 121.44 1x4e s LYS 31 Ca 0.00 1.58 -0.04 0.00 -0.36 0.00 0.00 55.97 57.15 1x4e s LYS 31 Cb 0.00 -3.55 0.07 0.00 -1.51 0.00 0.00 37.83 32.84 1x4e s LYS 31 CO 0.00 -0.40 0.11 0.42 -0.36 0.00 0.00 175.35 175.12 1x4e s ILE 32 N 2.13 3.38 0.05 5.43 1.01 -1.26 -2.42 121.20 129.51 1x4e s ILE 32 Ca 0.53 -1.54 -0.28 0.00 0.00 0.00 0.00 60.65 59.36 1x4e s ILE 32 Cb -0.22 -3.06 -0.15 0.00 0.01 0.00 0.00 42.46 39.03 1x4e s ILE 32 CO 0.21 -0.34 1.43 0.58 0.00 0.00 0.00 174.94 176.81 1x4e h VAL 33 N 6.33 0.00 -2.30 2.92 2.07 -0.53 -3.47 116.25 121.28 1x4e h VAL 33 Ca -0.19 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 1x4e h VAL 33 Cb 1.06 0.00 -0.21 0.00 -1.52 0.00 0.00 31.29 30.63 1x4e h VAL 33 CO 0.62 0.00 0.02 -0.55 0.02 0.00 0.00 177.57 177.68 1x4e s SER 34 N -3.58 -0.57 0.07 0.57 0.15 -1.16 -5.03 113.70 104.15 1x4e s SER 34 Ca -0.15 0.87 0.05 0.00 0.70 0.00 0.00 55.95 57.42 1x4e s SER 34 Cb 0.02 0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 65.14 1x4e s SER 34 CO 0.45 -0.39 -0.03 0.42 1.20 0.00 0.00 173.24 174.90 1x4e s THR 35 N -0.46 3.84 -0.23 6.45 -4.23 -1.26 -1.54 115.64 118.21 1x4e s THR 35 Ca -0.06 -0.98 -0.04 0.00 -1.18 0.00 0.00 61.69 59.43 1x4e s THR 35 Cb -0.03 -2.79 0.08 0.00 1.34 0.00 0.00 72.50 71.10 1x4e s THR 35 CO 0.05 0.18 0.13 -0.75 -0.54 0.00 0.00 174.62 173.69 1x4e s LYS 36 N -2.10 0.14 -0.06 3.99 2.47 -0.92 -4.98 119.74 118.29 1x4e s LYS 36 Ca 0.23 -0.24 -0.29 0.00 -1.56 0.00 0.00 55.97 54.11 1x4e s LYS 36 Cb -0.11 -1.41 -0.02 0.00 -1.46 0.00 0.00 37.83 34.82 1x4e s LYS 36 CO 0.15 -0.84 0.96 0.00 0.16 0.00 0.00 175.35 175.79 1x4e s ALA 37 N 2.16 3.31 -0.36 3.13 0.00 -1.26 0.21 121.76 128.94 1x4e s ALA 37 Ca 0.06 0.40 -0.29 0.00 0.00 0.00 0.00 51.96 52.13 1x4e s ALA 37 Cb -0.16 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 1x4e s ALA 37 CO -0.22 -0.42 1.61 0.42 0.00 0.00 0.00 175.76 177.14 1x4e s ILE 38 N 1.52 3.69 0.27 0.00 -1.09 0.40 -4.92 121.20 121.07 1x4e s ILE 38 Ca 0.48 0.70 0.07 0.00 -2.23 0.00 0.00 60.65 59.68 1x4e s ILE 38 Cb -0.19 -3.91 -0.03 0.00 -1.58 0.00 0.00 42.46 36.74 1x4e s ILE 38 CO 0.22 -0.57 0.21 -0.76 -1.23 0.00 0.00 174.94 172.80 1x4e s LEU 39 N 6.11 3.73 0.44 2.97 1.43 -1.26 -1.75 118.68 130.35 1x4e s LEU 39 Ca 0.71 -0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1x4e s LEU 39 Cb -0.18 -2.28 -0.01 0.00 0.03 0.00 0.00 46.19 43.75 1x4e s LEU 39 CO 0.33 -0.10 0.66 -0.62 0.23 0.00 0.00 176.35 176.85 1x4e s ASP 40 N -3.87 5.93 0.00 2.29 -1.08 -1.26 -4.63 116.67 114.05 1x4e s ASP 40 Ca 0.34 0.36 0.22 0.00 -0.52 0.00 0.00 52.55 52.95 1x4e s ASP 40 Cb -0.07 -1.66 -0.05 0.00 -1.46 0.00 0.00 42.92 39.69 1x4e s ASP 40 CO 0.25 -0.64 1.06 1.17 0.52 0.00 0.00 175.17 177.53 1x4e n LYS 41 N -2.05 1.01 -0.09 4.34 4.81 -1.26 -1.94 118.16 122.98 1x4e n LYS 41 Ca 0.00 -0.84 -0.10 0.00 -0.87 0.00 0.00 58.31 56.51 1x4e n LYS 41 Cb 0.57 -1.48 -0.16 0.00 0.02 0.00 0.00 35.03 33.98 1x4e n LYS 41 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1x4e n THR 42 N -0.27 1.43 0.00 3.15 -2.24 -1.26 -4.74 114.28 110.36 1x4e n THR 42 Ca 0.08 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1x4e n THR 42 Cb 0.45 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 1x4e n THR 42 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1x4e n THR 43 N -2.82 0.00 -2.40 4.28 -2.24 -1.26 -5.04 114.28 104.80 1x4e n THR 43 Ca -0.30 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.38 1x4e n THR 43 Cb 1.14 -0.51 0.01 0.00 -2.10 0.00 0.00 70.33 68.87 1x4e n THR 43 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1x4e n ASN 44 N -1.98 -3.37 -0.04 3.42 4.13 -0.82 -4.96 115.26 111.64 1x4e n ASN 44 Ca 0.00 -0.07 -0.03 0.00 1.68 0.00 0.00 54.58 56.15 1x4e n ASN 44 Cb 0.36 -2.45 -0.01 0.00 -1.54 0.00 0.00 39.78 36.14 1x4e n ASN 44 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1x4e n LYS 45 N -2.04 0.22 0.00 3.52 4.76 -1.26 -4.76 118.16 118.59 1x4e n LYS 45 Ca -0.08 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1x4e n LYS 45 Cb 0.57 -0.94 0.00 0.00 -1.84 0.00 0.00 35.03 32.81 1x4e n LYS 45 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x4e n LYS 47 N 0.00 -0.02 0.00 0.00 5.02 -0.72 -4.56 118.16 117.88 1x4e n LYS 47 Ca 0.00 1.15 0.00 0.00 -2.02 0.00 0.00 58.31 57.44 1x4e n LYS 47 Cb 0.00 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 32.62 1x4e n LYS 47 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x4e n GLY 48 N -1.63 1.27 2.94 0.72 0.00 -1.26 -4.96 105.19 102.27 1x4e n GLY 48 Ca 0.40 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.44 0.28 0.06 1.61 2.02 -1.26 0.64 117.35 119.26 1x4e s TYR 49 Ca 0.00 -0.19 0.06 0.00 -0.37 0.00 0.00 57.07 56.57 1x4e s TYR 49 Cb 0.00 -0.18 -0.03 0.00 -0.40 0.00 0.00 41.96 41.35 1x4e s TYR 49 CO 0.00 -0.05 -0.18 0.20 -1.57 0.00 0.00 175.55 173.95 1x4e s GLY 50 N -0.52 1.02 0.12 0.71 0.00 0.87 -0.46 107.32 109.06 1x4e s GLY 50 Ca -0.04 -1.03 0.05 0.00 0.00 0.00 0.00 44.72 43.70 1x4e s GLY 50 CO -0.00 -1.01 0.07 -0.12 0.00 0.00 0.00 173.10 172.03 1x4e s PHE 51 N -0.99 3.08 -0.26 1.90 2.19 0.13 -1.11 117.98 122.92 1x4e s PHE 51 Ca 0.04 -0.01 -0.02 0.00 0.33 0.00 0.00 56.93 57.27 1x4e s PHE 51 Cb -0.09 -1.53 0.15 0.00 -1.31 0.00 0.00 43.02 40.24 1x4e s PHE 51 CO 0.02 0.51 0.42 0.08 1.83 0.00 0.00 175.22 178.09 1x4e s VAL 52 N -1.53 -0.68 -0.17 3.12 1.01 -0.96 -2.16 120.40 119.04 1x4e s VAL 52 Ca 0.29 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.07 1x4e s VAL 52 Cb -0.11 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 1x4e s VAL 52 CO 0.21 -0.12 0.20 -1.81 0.00 0.00 0.00 175.10 173.58 1x4e s ASP 53 N 2.60 6.34 0.33 3.32 1.11 -0.59 0.16 116.67 129.93 1x4e s ASP 53 Ca 0.14 0.39 0.07 0.00 0.18 0.00 0.00 52.55 53.33 1x4e s ASP 53 Cb -0.15 -2.13 -0.03 0.00 1.07 0.00 0.00 42.92 41.69 1x4e s ASP 53 CO -0.19 0.19 0.29 -0.36 1.18 0.00 0.00 175.17 176.28 1x4e s PHE 54 N 0.15 2.94 -0.65 4.23 0.40 0.72 0.16 117.98 125.94 1x4e s PHE 54 Ca 0.12 -0.27 0.22 0.00 -0.60 0.00 0.00 56.93 56.40 1x4e s PHE 54 Cb -0.12 -1.76 0.90 0.00 0.51 0.00 0.00 43.02 42.55 1x4e s PHE 54 CO 0.01 0.22 1.68 -0.40 0.70 0.00 0.00 175.22 177.43 1x4e n ASP 55 N -1.36 0.52 -3.69 1.36 5.75 -1.02 -4.59 116.55 113.53 1x4e n ASP 55 Ca -0.02 0.61 -0.13 0.00 -0.01 0.00 0.00 54.79 55.23 1x4e n ASP 55 Cb 0.59 -0.73 -0.07 0.00 -1.03 0.00 0.00 41.12 39.89 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 -3.97 -0.28 0.11 -1.12 0.01 -1.26 -5.06 113.70 102.13 1x4e s SER 56 Ca 0.06 0.09 -0.14 0.00 1.31 0.00 0.00 55.95 57.27 1x4e s SER 56 Cb 0.10 0.40 -0.08 0.00 0.21 0.00 0.00 66.02 66.65 1x4e s SER 56 CO 0.40 -0.59 1.43 1.55 0.41 0.00 0.00 173.24 176.44 1x4e h PRO 57 N 3.28 0.75 0.00 12.44 0.13 -1.87 -2.84 132.00 143.90 1x4e h PRO 57 Ca -0.30 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 1x4e h PRO 57 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1x4e h PRO 57 CO 0.42 1.02 0.00 0.45 -0.23 0.00 0.00 178.00 179.66 1x4e n SER 58 N -4.23 0.48 -0.10 1.44 2.88 -1.26 -2.35 113.62 110.49 1x4e n SER 58 Ca -0.03 0.71 -0.21 0.00 -1.33 0.00 0.00 58.87 58.01 1x4e n SER 58 Cb 0.48 -0.78 -0.11 0.00 -0.75 0.00 0.00 64.21 63.05 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 2.05 0.23 -0.55 -1.46 0.00 -1.88 -3.37 119.26 114.29 1x4e h ALA 59 Ca 0.00 -1.12 0.08 0.00 0.00 0.00 0.00 54.91 53.87 1x4e h ALA 59 Cb 0.06 0.67 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 1x4e h ALA 59 CO 0.00 0.63 0.18 0.00 0.00 0.00 0.00 179.25 180.07 1x4e h ALA 60 N -0.47 0.67 -1.02 0.00 0.00 -1.30 -1.25 119.26 115.90 1x4e h ALA 60 Ca -0.31 0.08 0.29 0.00 0.00 0.00 0.00 54.91 54.97 1x4e h ALA 60 Cb 1.25 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.97 1x4e h ALA 60 CO -0.19 -0.22 0.60 1.96 0.00 0.00 0.00 179.25 181.40 1x4e h GLN 61 N 0.35 0.43 -0.75 0.00 4.20 -1.66 0.21 115.11 117.90 1x4e h GLN 61 Ca 0.27 -0.03 0.15 0.00 0.06 0.00 0.00 58.65 59.11 1x4e h GLN 61 Cb 0.32 -0.10 -0.10 0.00 0.30 0.00 0.00 27.48 27.91 1x4e h GLN 61 CO -0.29 0.28 0.24 -0.22 -0.67 0.00 0.00 178.83 178.18 1x4e h LYS 62 N 0.44 0.34 0.62 1.46 3.64 -1.39 0.10 116.57 121.78 1x4e h LYS 62 Ca 0.69 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 60.02 1x4e h LYS 62 Cb 1.49 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 33.24 1x4e h LYS 62 CO -0.52 0.23 -0.30 0.00 -2.27 0.00 0.00 179.45 176.59 1x4e h ALA 63 N 1.58 -0.83 -0.57 5.00 0.00 -0.67 -2.62 119.26 121.15 1x4e h ALA 63 Ca 0.42 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.24 1x4e h ALA 63 Cb 0.69 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 1x4e h ALA 63 CO -0.46 -0.88 0.02 0.28 0.00 0.00 0.00 179.25 178.21 1x4e h VAL 64 N -1.00 0.55 -0.10 0.00 2.07 -1.26 0.54 116.25 117.06 1x4e h VAL 64 Ca -0.08 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.43 1x4e h VAL 64 Cb 0.68 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 1x4e h VAL 64 CO 0.14 0.03 -0.35 0.74 0.02 0.00 0.00 177.57 178.14 1x4e h THR 65 N 0.14 0.24 0.29 2.57 2.02 -0.78 0.39 112.91 117.78 1x4e h THR 65 Ca 0.30 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.46 1x4e h THR 65 Cb 0.46 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1x4e h THR 65 CO -0.47 0.00 -0.14 0.00 0.37 0.00 0.00 175.52 175.28 1x4e h ALA 66 N 0.28 -0.65 -0.83 6.16 0.00 -0.99 -3.17 119.26 120.06 1x4e h ALA 66 Ca 0.08 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.07 1x4e h ALA 66 Cb 0.58 0.15 -0.16 0.00 0.00 0.00 0.00 17.79 18.36 1x4e h ALA 66 CO -0.35 -0.62 -0.21 1.28 0.00 0.00 0.00 179.25 179.35 1x4e n LEU 67 N -3.72 -0.30 -0.11 0.00 4.77 0.18 0.81 117.00 118.63 1x4e n LEU 67 Ca -0.05 1.42 -0.06 0.00 -0.03 0.00 0.00 56.01 57.29 1x4e n LEU 67 Cb 0.15 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1x4e n LEU 67 CO 0.12 -1.36 0.69 0.11 -1.33 0.00 0.00 177.39 175.61 1x4e h LYS 68 N 0.00 -0.17 0.00 3.23 1.57 -0.98 0.37 116.57 120.59 1x4e h LYS 68 Ca 0.40 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1x4e h LYS 68 Cb 0.60 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 1x4e h LYS 68 CO -0.85 -0.12 -0.02 0.00 -0.57 0.00 0.00 179.45 177.90 1x4e h ALA 69 N 0.99 1.04 0.00 3.86 0.00 0.43 -1.99 119.26 123.60 1x4e h ALA 69 Ca 0.18 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1x4e h ALA 69 Cb 0.47 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1x4e h ALA 69 CO -0.49 0.02 -0.58 1.03 0.00 0.00 0.00 179.25 179.23 1x4e h SER 70 N 0.00 0.00 0.00 0.00 0.87 0.11 -3.47 113.55 111.06 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 0.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1x4e h SER 70 CO 0.00 0.58 0.00 0.61 -0.53 0.00 0.00 176.83 177.49 1x4e n GLY 71 N 0.13 1.58 3.51 5.77 0.00 -0.75 -5.09 105.19 110.34 1x4e n GLY 71 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 3.03 -0.62 1.61 0.11 -1.16 -5.06 120.40 116.31 1x4e s VAL 72 Ca 0.00 -1.28 -0.28 0.00 -2.93 0.00 0.00 61.98 57.49 1x4e s VAL 72 Cb 0.00 -2.35 0.03 0.00 -1.53 0.00 0.00 36.38 32.52 1x4e s VAL 72 CO 0.00 0.21 1.25 -1.10 -3.33 0.00 0.00 175.10 172.13 1x4e s GLN 73 N -1.86 3.40 -0.03 1.54 -0.21 -1.26 -4.06 119.66 117.18 1x4e s GLN 73 Ca 0.18 0.16 0.04 0.00 0.02 0.00 0.00 55.36 55.76 1x4e s GLN 73 Cb -0.11 -4.07 -0.00 0.00 1.00 0.00 0.00 33.01 29.83 1x4e s GLN 73 CO 0.09 -1.84 -0.15 0.00 -2.12 0.00 0.00 175.29 171.27 1x4e s ALA 74 N 5.33 1.34 0.19 6.09 0.00 -1.26 -0.45 121.76 133.00 1x4e s ALA 74 Ca 0.43 -0.61 -0.02 0.00 0.00 0.00 0.00 51.96 51.76 1x4e s ALA 74 Cb -0.08 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 1x4e s ALA 74 CO 0.23 0.25 0.15 1.14 0.00 0.00 0.00 175.76 177.53 1x4e s GLN 75 N 0.00 1.18 -0.08 0.00 -2.07 -0.87 -4.89 119.66 112.93 1x4e s GLN 75 Ca -0.02 -1.57 -0.02 0.00 -1.82 0.00 0.00 55.36 51.93 1x4e s GLN 75 Cb -0.10 0.28 -0.05 0.00 -1.09 0.00 0.00 33.01 32.05 1x4e s GLN 75 CO 0.01 -0.39 2.60 -1.33 -1.32 0.00 0.00 175.29 174.87 1x4e n MET 76 N -0.25 1.55 -3.05 9.60 2.81 -1.26 -0.54 117.12 125.98 1x4e n MET 76 Ca 0.00 -0.73 -0.00 0.00 -1.81 0.00 0.00 57.70 55.16 1x4e n MET 76 Cb 0.65 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 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 1.62 -2.45 -2.60 3.04 0.00 -0.94 -4.68 120.51 114.50 1x4e n ALA 77 Ca 0.22 0.15 -0.43 0.00 0.00 0.00 0.00 53.44 53.38 1x4e n ALA 77 Cb 0.65 -0.66 -0.06 0.00 0.00 0.00 0.00 19.45 19.38 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 -1.20 3.25 -0.43 0.00 2.47 -1.26 -4.95 119.74 117.62 1x4e s LYS 78 Ca 0.00 -0.48 0.06 0.00 -1.56 0.00 0.00 55.97 54.00 1x4e s LYS 78 Cb -0.00 -4.00 0.18 0.00 -1.46 0.00 0.00 37.83 32.54 1x4e s LYS 78 CO 0.24 -1.13 0.56 -1.14 0.16 0.00 0.00 175.35 174.04 1x4e s GLN 79 N 2.94 0.86 0.32 4.03 -0.44 -1.26 -4.99 119.66 121.13 1x4e s GLN 79 Ca 0.22 -0.87 0.00 0.00 -2.50 0.00 0.00 55.36 52.21 1x4e s GLN 79 Cb -0.15 -0.33 0.00 0.00 -1.64 0.00 0.00 33.01 30.89 1x4e s GLN 79 CO 0.17 -1.26 0.00 0.45 0.50 0.00 0.00 175.29 175.16 1x4e n SER 80 N 3.74 -2.92 0.00 6.67 2.88 -1.26 -5.18 113.62 117.56 1x4e n SER 80 Ca 0.15 0.75 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 1x4e n SER 80 Cb 0.53 2.85 0.00 0.00 -0.75 0.00 0.00 64.21 66.84 1x4e n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4e n GLY 81 N -1.37 2.31 0.13 0.46 0.00 -1.26 -4.64 105.19 100.82 1x4e n GLY 81 Ca 0.00 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.15 1x4e n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4e h PRO 82 N 0.00 0.33 -0.33 1.61 0.13 -2.05 -3.28 132.00 128.41 1x4e h PRO 82 Ca 0.00 -0.17 0.07 0.00 -0.87 0.00 0.00 66.00 65.03 1x4e h PRO 82 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.06 1x4e h PRO 82 CO 0.00 0.72 -0.22 1.03 -0.23 0.00 0.00 178.00 179.30 1x4e h SER 83 N -0.05 -0.72 -1.87 1.44 0.87 -2.08 -3.42 113.55 107.72 1x4e h SER 83 Ca 0.02 0.15 -0.56 0.00 -1.23 0.00 0.00 61.79 60.17 1x4e h SER 83 Cb 0.65 0.36 0.17 0.00 -0.44 0.00 0.00 62.40 63.15 1x4e h SER 83 CO 0.03 -0.25 -1.11 -0.24 -0.53 0.00 0.00 176.83 174.73 1x4e n SER 84 N -5.37 -3.54 0.00 6.23 2.88 -1.24 -5.28 113.62 107.30 1x4e n SER 84 Ca 0.01 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 1x4e n SER 84 Cb 0.29 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 1x4e n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42