#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 0.00 -3.45 1.61 7.64 -1.26 -5.16 113.62 113.00 1x4e n SER 2 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 1x4e n SER 2 Cb 0.00 0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.26 1x4e n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4e s SER 3 N -1.29 1.05 0.00 6.43 1.04 -1.26 -5.16 113.70 114.51 1x4e s SER 3 Ca 0.00 -1.55 0.00 0.00 0.48 0.00 0.00 55.95 54.88 1x4e s SER 3 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1x4e s SER 3 CO 0.00 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.69 1x4e n GLY 4 N -0.54 4.15 3.12 7.32 0.00 -1.26 -5.09 105.19 112.90 1x4e n GLY 4 Ca 0.03 -0.54 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 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 0.68 -0.02 1.61 0.01 -1.26 -4.89 113.70 109.83 1x4e s SER 5 Ca 0.00 -1.02 0.20 0.00 1.31 0.00 0.00 55.95 56.44 1x4e s SER 5 Cb 0.00 0.17 -0.28 0.00 0.21 0.00 0.00 66.02 66.12 1x4e s SER 5 CO 0.00 -0.57 0.56 -1.54 0.41 0.00 0.00 173.24 172.10 1x4e n SER 6 N 0.05 0.57 -4.73 2.44 3.41 -1.26 -4.32 113.62 109.78 1x4e n SER 6 Ca -0.13 -0.30 -0.41 0.00 -0.26 0.00 0.00 58.87 57.77 1x4e n SER 6 Cb 0.61 1.63 -0.04 0.00 -0.26 0.00 0.00 64.21 66.15 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 -3.85 2.76 0.14 5.00 0.00 -1.26 -1.65 107.32 108.46 1x4e s GLY 7 Ca -0.03 0.81 0.11 0.00 0.00 0.00 0.00 44.72 45.61 1x4e s GLY 7 CO 0.82 1.74 -0.26 1.08 0.00 0.00 0.00 173.10 176.48 1x4e s LEU 8 N -0.00 2.35 -0.31 0.66 1.43 0.14 -2.86 118.68 120.08 1x4e s LEU 8 Ca 0.51 -0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1x4e s LEU 8 Cb -0.29 -1.19 0.10 0.00 0.03 0.00 0.00 46.19 44.84 1x4e s LEU 8 CO 0.33 0.16 0.10 -0.47 0.23 0.00 0.00 176.35 176.70 1x4e s TYR 9 N -1.21 1.59 -0.27 0.29 6.14 -0.20 -1.74 117.35 121.94 1x4e s TYR 9 Ca 0.15 -1.66 -0.11 0.00 0.64 0.00 0.00 57.07 56.09 1x4e s TYR 9 Cb -0.09 -1.65 -0.05 0.00 0.42 0.00 0.00 41.96 40.59 1x4e s TYR 9 CO 0.07 -0.87 0.18 0.42 0.64 0.00 0.00 175.55 175.99 1x4e s ILE 10 N 1.66 5.32 0.44 3.14 1.09 -0.10 -1.81 121.20 130.94 1x4e s ILE 10 Ca 0.10 0.17 0.06 0.00 -1.10 0.00 0.00 60.65 59.88 1x4e s ILE 10 Cb -0.17 -3.52 0.01 0.00 -1.06 0.00 0.00 42.46 37.72 1x4e s ILE 10 CO -0.26 0.27 0.61 -0.13 -0.10 0.00 0.00 174.94 175.33 1x4e s ARG 11 N 1.61 2.79 -0.64 2.79 0.52 0.59 0.02 118.95 126.63 1x4e s ARG 11 Ca 0.07 -1.12 -0.02 0.00 -0.52 0.00 0.00 55.73 54.14 1x4e s ARG 11 Cb -0.15 -2.70 -0.02 0.00 0.52 0.00 0.00 34.95 32.59 1x4e s ARG 11 CO 0.10 -0.34 0.55 0.41 0.02 0.00 0.00 175.30 176.03 1x4e n GLY 12 N -1.94 -0.17 0.00 -3.53 0.00 0.26 -4.20 105.19 95.60 1x4e n GLY 12 Ca 0.07 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.63 0.00 -4.51 0.99 4.77 -0.70 -5.00 117.00 109.93 1x4e n LEU 13 Ca -0.09 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.61 1x4e n LEU 13 Cb 0.58 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.56 1x4e n LEU 13 CO 0.35 0.00 -0.47 -1.10 -1.33 0.00 0.00 177.39 174.84 1x4e s GLN 14 N 3.40 1.83 0.00 3.23 1.11 -1.26 -4.88 119.66 123.10 1x4e s GLN 14 Ca 0.00 -1.28 0.16 0.00 0.01 0.00 0.00 55.36 54.25 1x4e s GLN 14 Cb 0.00 -2.08 0.90 0.00 -1.01 0.00 0.00 33.01 30.83 1x4e s GLN 14 CO 0.00 0.45 1.36 -0.35 0.01 0.00 0.00 175.29 176.76 1x4e n PRO 15 N 0.41 0.44 -0.01 2.91 -0.04 -1.26 -2.13 135.00 135.33 1x4e n PRO 15 Ca -0.13 0.03 0.01 0.00 -0.04 0.00 0.00 63.50 63.37 1x4e n PRO 15 Cb 0.54 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.52 1x4e n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x4e n GLY 16 N -0.02 3.22 3.70 0.55 0.00 -1.26 -4.02 105.19 107.36 1x4e n GLY 16 Ca 0.11 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.22 2.70 0.52 2.61 2.01 -0.91 -5.00 115.64 116.34 1x4e s THR 17 Ca 0.04 0.32 0.07 0.00 0.31 0.00 0.00 61.69 62.43 1x4e s THR 17 Cb 0.03 -3.21 0.03 0.00 0.01 0.00 0.00 72.50 69.37 1x4e s THR 17 CO 0.00 0.01 0.48 0.42 -0.69 0.00 0.00 174.62 174.84 1x4e s THR 18 N 2.10 2.02 0.25 -0.82 -4.23 -1.26 -4.83 115.64 108.86 1x4e s THR 18 Ca 0.75 -1.35 -0.04 0.00 -1.18 0.00 0.00 61.69 59.87 1x4e s THR 18 Cb -0.43 -2.37 0.22 0.00 1.34 0.00 0.00 72.50 71.26 1x4e s THR 18 CO 0.33 0.00 1.82 -0.78 -0.54 0.00 0.00 174.62 175.45 1x4e h ASP 19 N 0.70 0.74 0.08 3.99 1.82 -1.94 -2.52 116.42 119.29 1x4e h ASP 19 Ca -0.36 0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.31 1x4e h ASP 19 Cb 1.29 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.20 1x4e h ASP 19 CO 0.54 0.43 -0.04 1.56 -1.61 0.00 0.00 179.24 180.12 1x4e h GLN 20 N 0.85 -0.10 -1.10 0.28 4.20 -1.95 -2.95 115.11 114.34 1x4e h GLN 20 Ca 0.41 0.01 0.44 0.00 0.06 0.00 0.00 58.65 59.56 1x4e h GLN 20 Cb 0.34 0.02 -0.17 0.00 0.30 0.00 0.00 27.48 27.97 1x4e h GLN 20 CO -0.23 0.17 0.63 -0.44 -0.67 0.00 0.00 178.83 178.29 1x4e h ASP 21 N -0.36 0.29 -0.39 1.46 3.32 -1.84 1.25 116.42 120.15 1x4e h ASP 21 Ca -0.01 0.23 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 1x4e h ASP 21 Cb 0.31 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1x4e h ASP 21 CO 0.02 -0.39 -0.12 -0.07 -1.72 0.00 0.00 179.24 176.95 1x4e h LEU 22 N 0.00 0.79 -0.77 1.55 3.38 -1.41 -2.62 115.31 116.23 1x4e h LEU 22 Ca 0.86 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 58.53 1x4e h LEU 22 Cb 2.41 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 42.88 1x4e h LEU 22 CO -0.69 0.98 0.44 0.58 0.09 0.00 0.00 178.44 179.84 1x4e h VAL 23 N 0.59 0.96 0.00 1.22 2.07 0.16 0.84 116.25 122.09 1x4e h VAL 23 Ca 0.10 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1x4e h VAL 23 Cb 0.65 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1x4e h VAL 23 CO 0.04 0.14 0.00 0.11 0.02 0.00 0.00 177.57 177.89 1x4e h LYS 24 N 0.78 0.00 -0.13 1.57 1.57 -1.31 0.60 116.57 119.65 1x4e h LYS 24 Ca 0.35 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.07 1x4e h LYS 24 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1x4e h LYS 24 CO -0.21 0.00 -0.21 1.25 -0.57 0.00 0.00 179.45 179.71 1x4e h LEU 25 N 0.00 0.21 -2.49 2.94 5.85 -0.44 -3.33 115.31 118.06 1x4e h LEU 25 Ca 0.00 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.52 1x4e h LEU 25 Cb 0.50 -0.06 -0.25 0.00 0.37 0.00 0.00 40.66 41.22 1x4e h LEU 25 CO 0.00 0.44 -0.69 0.00 -0.34 0.00 0.00 178.44 177.85 1x4e h GLN 27 N 0.53 -0.94 0.00 0.00 4.15 0.10 -2.68 115.11 116.27 1x4e h GLN 27 Ca -0.33 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.16 1x4e h GLN 27 Cb 1.65 0.21 0.00 0.00 0.21 0.00 0.00 27.48 29.55 1x4e h GLN 27 CO -0.05 -0.60 0.00 -0.35 -1.93 0.00 0.00 178.83 175.90 1x4e n PRO 28 N -5.46 0.48 0.03 -2.39 -0.04 -1.26 -2.53 135.00 123.83 1x4e n PRO 28 Ca -0.13 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.18 1x4e n PRO 28 Cb 0.40 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.23 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 0.30 0.00 0.54 -1.99 -1.85 -3.50 116.97 110.47 1x4e h TYR 29 Ca 0.00 -0.22 0.00 0.00 2.00 0.00 0.00 58.73 60.51 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 1.32 0.00 0.41 -0.00 0.00 0.00 178.16 179.89 1x4e n GLY 30 N 1.67 -0.88 3.68 3.88 0.00 -1.05 -4.94 105.19 107.56 1x4e n GLY 30 Ca -0.18 -0.78 -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 -0.40 4.38 -0.37 1.61 2.20 -1.26 -4.70 119.74 121.21 1x4e s LYS 31 Ca 0.00 1.48 -0.07 0.00 -0.36 0.00 0.00 55.97 57.01 1x4e s LYS 31 Cb 0.00 -3.56 0.06 0.00 -1.51 0.00 0.00 37.83 32.82 1x4e s LYS 31 CO 0.00 -0.39 0.16 0.42 -0.36 0.00 0.00 175.35 175.18 1x4e s ILE 32 N 2.20 3.89 0.04 5.43 1.01 -1.26 -2.15 121.20 130.36 1x4e s ILE 32 Ca 0.50 -1.28 -0.27 0.00 0.00 0.00 0.00 60.65 59.61 1x4e s ILE 32 Cb -0.20 -3.29 -0.15 0.00 0.01 0.00 0.00 42.46 38.83 1x4e s ILE 32 CO 0.18 -0.32 1.35 0.58 0.00 0.00 0.00 174.94 176.73 1x4e h VAL 33 N 6.15 0.00 -2.49 2.92 2.07 -1.10 -3.47 116.25 120.33 1x4e h VAL 33 Ca -0.22 -0.04 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 1x4e h VAL 33 Cb 1.08 0.00 -0.22 0.00 -1.52 0.00 0.00 31.29 30.63 1x4e h VAL 33 CO 0.66 0.00 -0.09 -0.55 0.02 0.00 0.00 177.57 177.61 1x4e s SER 34 N -3.55 -0.51 -0.06 0.57 0.15 -1.20 -5.04 113.70 104.06 1x4e s SER 34 Ca -0.14 0.88 0.01 0.00 0.70 0.00 0.00 55.95 57.40 1x4e s SER 34 Cb 0.01 0.90 -0.03 0.00 -1.71 0.00 0.00 66.02 65.19 1x4e s SER 34 CO 0.42 -0.27 -0.05 0.42 1.20 0.00 0.00 173.24 174.96 1x4e s THR 35 N -0.12 3.81 -0.15 6.45 -4.23 -1.26 -1.75 115.64 118.38 1x4e s THR 35 Ca -0.03 -0.49 -0.02 0.00 -1.18 0.00 0.00 61.69 59.97 1x4e s THR 35 Cb -0.03 -2.58 0.05 0.00 1.34 0.00 0.00 72.50 71.27 1x4e s THR 35 CO 0.02 0.56 0.01 -0.75 -0.54 0.00 0.00 174.62 173.92 1x4e s LYS 36 N -0.95 0.83 -0.08 3.99 2.47 -1.08 -4.94 119.74 119.99 1x4e s LYS 36 Ca 0.14 -0.31 -0.22 0.00 -1.56 0.00 0.00 55.97 54.02 1x4e s LYS 36 Cb -0.11 -1.78 -0.04 0.00 -1.46 0.00 0.00 37.83 34.44 1x4e s LYS 36 CO 0.03 -0.50 0.63 0.00 0.16 0.00 0.00 175.35 175.67 1x4e s ALA 37 N 1.83 3.38 -0.58 3.13 0.00 -1.26 0.40 121.76 128.66 1x4e s ALA 37 Ca 0.01 0.04 -0.28 0.00 0.00 0.00 0.00 51.96 51.73 1x4e s ALA 37 Cb -0.15 -2.86 0.03 0.00 0.00 0.00 0.00 23.12 20.14 1x4e s ALA 37 CO -0.07 -0.06 1.23 0.42 0.00 0.00 0.00 175.76 177.28 1x4e s ILE 38 N 0.70 3.97 -0.01 0.00 -1.09 -0.69 -4.93 121.20 119.16 1x4e s ILE 38 Ca 0.34 0.86 0.05 0.00 -2.23 0.00 0.00 60.65 59.67 1x4e s ILE 38 Cb -0.17 -4.68 -0.03 0.00 -1.58 0.00 0.00 42.46 36.00 1x4e s ILE 38 CO 0.16 -1.32 -0.16 -0.76 -1.23 0.00 0.00 174.94 171.63 1x4e s LEU 39 N 5.15 2.66 1.01 2.97 1.43 -1.26 -1.60 118.68 129.04 1x4e s LEU 39 Ca 0.45 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 53.11 1x4e s LEU 39 Cb -0.08 -1.55 0.11 0.00 0.03 0.00 0.00 46.19 44.71 1x4e s LEU 39 CO 0.25 0.30 0.61 0.47 0.23 0.00 0.00 176.35 178.22 1x4e n ASP 40 N 1.98 -1.47 0.04 2.29 8.00 -1.26 -4.77 116.55 121.35 1x4e n ASP 40 Ca -0.16 0.20 -0.01 0.00 0.71 0.00 0.00 54.79 55.52 1x4e n ASP 40 Cb 0.52 -1.24 -0.08 0.00 -0.02 0.00 0.00 41.12 40.31 1x4e n ASP 40 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1x4e h LYS 41 N -1.91 0.00 0.00 -1.24 6.56 -1.99 -2.82 116.57 115.16 1x4e h LYS 41 Ca -0.48 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 1x4e h LYS 41 Cb 1.30 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.96 1x4e h LYS 41 CO 0.39 0.38 -0.51 0.25 -2.06 0.00 0.00 179.45 177.90 1x4e n THR 42 N -2.98 1.22 0.04 -0.16 -2.24 -1.26 -4.69 114.28 104.21 1x4e n THR 42 Ca -0.08 0.25 -0.22 0.00 -2.27 0.00 0.00 64.05 61.73 1x4e n THR 42 Cb 0.86 -2.26 -0.14 0.00 -2.10 0.00 0.00 70.33 66.69 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 -0.85 1.13 -0.97 4.28 1.35 -1.98 -3.48 112.91 112.38 1x4e h THR 43 Ca 0.00 -2.47 -0.22 0.00 -0.55 0.00 0.00 66.41 63.17 1x4e h THR 43 Cb 0.51 2.85 -0.05 0.00 -1.73 0.00 0.00 68.15 69.72 1x4e h THR 43 CO 0.00 0.75 -0.23 -3.20 -0.25 0.00 0.00 175.52 172.58 1x4e n ASN 44 N -3.88 -3.96 -3.31 5.36 2.85 -1.07 -4.90 115.26 106.35 1x4e n ASN 44 Ca -0.22 0.14 -0.38 0.00 -0.11 0.00 0.00 54.58 54.01 1x4e n ASN 44 Cb 0.94 -2.76 -0.00 0.00 1.24 0.00 0.00 39.78 39.19 1x4e n ASN 44 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1x4e n LYS 45 N -2.39 4.32 -3.14 1.20 5.02 -1.26 -4.50 118.16 117.41 1x4e n LYS 45 Ca -0.12 -3.68 0.00 0.00 -2.02 0.00 0.00 58.31 52.49 1x4e n LYS 45 Cb 0.46 -2.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.01 1x4e n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x4e h LYS 47 N 3.68 0.00 0.00 0.00 1.57 -1.60 -3.39 116.57 116.82 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 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1x4e h LYS 47 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1x4e n GLY 48 N -1.82 1.12 2.96 3.86 0.00 -1.26 -4.96 105.19 105.09 1x4e n GLY 48 Ca 0.34 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.19 0.23 0.05 1.61 2.02 -1.26 0.91 117.35 119.71 1x4e s TYR 49 Ca 0.00 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.29 1x4e s TYR 49 Cb 0.00 -0.17 -0.02 0.00 -0.40 0.00 0.00 41.96 41.37 1x4e s TYR 49 CO 0.00 -0.15 -0.10 0.20 -1.57 0.00 0.00 175.55 173.92 1x4e s GLY 50 N -1.22 0.62 0.17 0.71 0.00 0.10 -1.70 107.32 106.01 1x4e s GLY 50 Ca -0.13 -0.81 0.07 0.00 0.00 0.00 0.00 44.72 43.85 1x4e s GLY 50 CO -0.01 -0.84 0.04 -0.12 0.00 0.00 0.00 173.10 172.17 1x4e s PHE 51 N -1.22 2.92 -0.27 1.90 2.19 0.16 -0.92 117.98 122.74 1x4e s PHE 51 Ca -0.06 -0.11 -0.02 0.00 0.33 0.00 0.00 56.93 57.07 1x4e s PHE 51 Cb -0.09 -1.41 0.16 0.00 -1.31 0.00 0.00 43.02 40.37 1x4e s PHE 51 CO 0.01 0.52 0.49 0.08 1.83 0.00 0.00 175.22 178.15 1x4e s VAL 52 N -1.75 -0.81 -0.12 3.12 1.01 -0.71 -2.62 120.40 118.51 1x4e s VAL 52 Ca 0.28 -0.03 -0.10 0.00 0.00 0.00 0.00 61.98 62.13 1x4e s VAL 52 Cb -0.09 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 1x4e s VAL 52 CO 0.20 -0.06 0.20 -1.81 0.00 0.00 0.00 175.10 173.63 1x4e s ASP 53 N 2.71 6.43 0.26 3.32 1.11 -0.72 0.25 116.67 130.03 1x4e s ASP 53 Ca 0.17 0.51 0.09 0.00 0.18 0.00 0.00 52.55 53.49 1x4e s ASP 53 Cb -0.15 -2.12 -0.04 0.00 1.07 0.00 0.00 42.92 41.68 1x4e s ASP 53 CO -0.18 0.30 0.06 -0.36 1.18 0.00 0.00 175.17 176.17 1x4e s PHE 54 N -0.54 2.83 -0.43 4.23 0.40 -0.66 -0.58 117.98 123.23 1x4e s PHE 54 Ca 0.15 -0.19 0.23 0.00 -0.60 0.00 0.00 56.93 56.52 1x4e s PHE 54 Cb -0.13 -1.27 1.01 0.00 0.51 0.00 0.00 43.02 43.14 1x4e s PHE 54 CO 0.04 0.58 1.70 -0.40 0.70 0.00 0.00 175.22 177.84 1x4e n ASP 55 N -0.99 0.65 -3.76 1.36 5.75 -0.92 -4.63 116.55 114.01 1x4e n ASP 55 Ca -0.07 0.68 -0.13 0.00 -0.01 0.00 0.00 54.79 55.26 1x4e n ASP 55 Cb 0.59 -0.81 -0.09 0.00 -1.03 0.00 0.00 41.12 39.78 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 -4.21 -0.20 0.29 -1.12 0.01 -1.26 -5.05 113.70 102.16 1x4e s SER 56 Ca 0.03 0.13 0.07 0.00 1.31 0.00 0.00 55.95 57.49 1x4e s SER 56 Cb 0.09 0.35 0.43 0.00 0.21 0.00 0.00 66.02 67.09 1x4e s SER 56 CO 0.36 -0.41 1.68 1.55 0.41 0.00 0.00 173.24 176.82 1x4e h PRO 57 N 4.06 0.19 0.00 12.44 0.13 -1.85 -2.69 132.00 144.28 1x4e h PRO 57 Ca -0.29 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1x4e h PRO 57 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1x4e h PRO 57 CO 0.39 0.62 0.00 1.03 -0.23 0.00 0.00 178.00 179.81 1x4e h SER 58 N 0.16 0.00 0.03 1.44 0.87 -1.96 -3.06 113.55 111.03 1x4e h SER 58 Ca 0.01 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.37 1x4e h SER 58 Cb 0.89 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.83 1x4e h SER 58 CO 0.07 0.00 -1.05 0.00 -0.53 0.00 0.00 176.83 175.32 1x4e h ALA 59 N 2.26 0.19 -0.58 6.23 0.00 -1.83 -3.36 119.26 122.17 1x4e h ALA 59 Ca 0.00 -1.03 0.09 0.00 0.00 0.00 0.00 54.91 53.97 1x4e h ALA 59 Cb 0.42 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 1x4e h ALA 59 CO 0.00 0.60 0.19 0.00 0.00 0.00 0.00 179.25 180.04 1x4e h ALA 60 N -0.26 0.73 -0.73 0.00 0.00 -1.48 -1.76 119.26 115.75 1x4e h ALA 60 Ca -0.27 0.09 0.17 0.00 0.00 0.00 0.00 54.91 54.90 1x4e h ALA 60 Cb 1.37 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 19.13 1x4e h ALA 60 CO -0.09 -0.23 0.07 1.96 0.00 0.00 0.00 179.25 180.96 1x4e h GLN 61 N 0.35 0.16 -1.50 0.00 4.20 -1.71 0.28 115.11 116.90 1x4e h GLN 61 Ca 0.30 -0.01 0.45 0.00 0.06 0.00 0.00 58.65 59.45 1x4e h GLN 61 Cb 0.38 -0.04 -0.09 0.00 0.30 0.00 0.00 27.48 28.04 1x4e h GLN 61 CO -0.32 0.10 1.04 -0.22 -0.67 0.00 0.00 178.83 178.76 1x4e h LYS 62 N 0.16 0.06 0.09 1.46 3.64 -1.46 0.86 116.57 121.38 1x4e h LYS 62 Ca 0.41 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1x4e h LYS 62 Cb 0.71 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1x4e h LYS 62 CO -0.59 0.04 -0.05 0.00 -2.27 0.00 0.00 179.45 176.58 1x4e h ALA 63 N 1.35 -0.13 -1.02 5.00 0.00 -0.54 -3.06 119.26 120.87 1x4e h ALA 63 Ca 0.79 -0.03 0.28 0.00 0.00 0.00 0.00 54.91 55.94 1x4e h ALA 63 Cb 2.84 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 20.56 1x4e h ALA 63 CO -0.18 -0.12 0.61 0.28 0.00 0.00 0.00 179.25 179.85 1x4e h VAL 64 N -1.03 0.46 -0.34 0.00 2.07 -0.96 0.80 116.25 117.24 1x4e h VAL 64 Ca -0.01 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1x4e h VAL 64 Cb 0.10 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 1x4e h VAL 64 CO 0.02 0.09 0.10 0.74 0.02 0.00 0.00 177.57 178.54 1x4e h THR 65 N 0.47 1.21 0.07 2.57 2.02 -1.02 -2.41 112.91 115.82 1x4e h THR 65 Ca 0.67 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 1x4e h THR 65 Cb 1.43 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 1x4e h THR 65 CO -0.48 0.24 -0.03 0.00 0.37 0.00 0.00 175.52 175.62 1x4e h ALA 66 N 0.94 -0.13 -0.88 6.16 0.00 -0.62 -3.31 119.26 121.42 1x4e h ALA 66 Ca 0.11 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.19 1x4e h ALA 66 Cb 0.26 0.04 -0.17 0.00 0.00 0.00 0.00 17.79 17.92 1x4e h ALA 66 CO -0.00 -0.13 -0.15 1.28 0.00 0.00 0.00 179.25 180.25 1x4e n LEU 67 N -3.82 -0.26 -0.22 0.00 4.77 0.25 0.12 117.00 117.84 1x4e n LEU 67 Ca -0.01 1.51 0.03 0.00 -0.03 0.00 0.00 56.01 57.50 1x4e n LEU 67 Cb 0.04 -0.48 0.13 0.00 -2.33 0.00 0.00 43.42 40.78 1x4e n LEU 67 CO 0.03 -1.47 0.86 0.11 -1.33 0.00 0.00 177.39 175.59 1x4e h LYS 68 N 0.00 0.15 0.00 3.23 1.57 -1.57 0.68 116.57 120.63 1x4e h LYS 68 Ca 0.45 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1x4e h LYS 68 Cb 0.77 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1x4e h LYS 68 CO -0.88 0.10 0.00 0.00 -0.57 0.00 0.00 179.45 178.10 1x4e h ALA 69 N 1.60 1.00 0.00 3.86 0.00 0.85 -2.52 119.26 124.05 1x4e h ALA 69 Ca 0.36 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.18 1x4e h ALA 69 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1x4e h ALA 69 CO -0.54 0.00 -0.42 1.03 0.00 0.00 0.00 179.25 179.31 1x4e h SER 70 N 0.00 0.00 0.00 0.00 0.87 0.12 -3.47 113.55 111.07 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 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1x4e h SER 70 CO 0.00 0.42 0.00 0.61 -0.53 0.00 0.00 176.83 177.33 1x4e n GLY 71 N 0.54 1.56 3.36 5.77 0.00 -0.92 -5.10 105.19 110.40 1x4e n GLY 71 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 2.16 -0.70 1.61 0.11 -1.19 -5.07 120.40 115.32 1x4e s VAL 72 Ca 0.00 -1.54 -0.27 0.00 -2.93 0.00 0.00 61.98 57.24 1x4e s VAL 72 Cb 0.00 -1.88 0.03 0.00 -1.53 0.00 0.00 36.38 33.00 1x4e s VAL 72 CO 0.00 0.24 1.32 -1.10 -3.33 0.00 0.00 175.10 172.22 1x4e s GLN 73 N -1.59 3.20 -0.16 1.54 -0.21 -1.26 -4.13 119.66 117.05 1x4e s GLN 73 Ca 0.12 -0.08 0.00 0.00 0.02 0.00 0.00 55.36 55.43 1x4e s GLN 73 Cb -0.10 -4.17 0.03 0.00 1.00 0.00 0.00 33.01 29.77 1x4e s GLN 73 CO 0.04 -2.12 -0.10 0.00 -2.12 0.00 0.00 175.29 170.99 1x4e s ALA 74 N 5.89 1.74 0.38 6.09 0.00 -1.26 -0.30 121.76 134.30 1x4e s ALA 74 Ca 0.39 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 51.52 1x4e s ALA 74 Cb -0.08 -1.11 -0.07 0.00 0.00 0.00 0.00 23.12 21.86 1x4e s ALA 74 CO 0.17 -0.59 -0.02 1.14 0.00 0.00 0.00 175.76 176.46 1x4e s GLN 75 N 1.53 1.94 -0.11 0.00 -2.07 -0.75 -4.83 119.66 115.36 1x4e s GLN 75 Ca 0.02 -1.99 -0.06 0.00 -1.82 0.00 0.00 55.36 51.51 1x4e s GLN 75 Cb -0.14 -1.72 -0.22 0.00 -1.09 0.00 0.00 33.01 29.84 1x4e s GLN 75 CO -0.09 0.03 3.49 -1.33 -1.32 0.00 0.00 175.29 176.07 1x4e n MET 76 N -0.92 2.11 -3.10 9.60 2.81 -1.26 -1.03 117.12 125.33 1x4e n MET 76 Ca -0.05 -1.23 -0.00 0.00 -1.81 0.00 0.00 57.70 54.61 1x4e n MET 76 Cb 0.65 -2.04 -0.00 0.00 -0.71 0.00 0.00 33.22 31.12 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 2.30 -1.94 -1.30 3.04 0.00 -1.14 -4.68 120.51 116.79 1x4e n ALA 77 Ca 0.45 0.14 0.18 0.00 0.00 0.00 0.00 53.44 54.20 1x4e n ALA 77 Cb 0.85 -0.71 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 1x4e n ALA 77 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1x4e n LYS 78 N 1.58 -2.63 -3.54 0.00 5.02 -1.26 -4.82 118.16 112.51 1x4e n LYS 78 Ca -0.02 1.76 -0.32 0.00 -2.02 0.00 0.00 58.31 57.71 1x4e n LYS 78 Cb 0.33 -3.20 -0.05 0.00 -0.02 0.00 0.00 35.03 32.09 1x4e n LYS 78 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1x4e s GLN 79 N -2.21 3.73 -0.36 1.97 2.00 -1.26 -5.07 119.66 118.45 1x4e s GLN 79 Ca 0.00 0.12 -0.04 0.00 -2.00 0.00 0.00 55.36 53.44 1x4e s GLN 79 Cb 0.00 -2.78 0.07 0.00 0.80 0.00 0.00 33.01 31.10 1x4e s GLN 79 CO 0.00 0.41 0.13 0.45 -0.50 0.00 0.00 175.29 175.78 1x4e s SER 80 N -2.29 5.22 0.00 6.67 0.15 -1.26 -4.82 113.70 117.37 1x4e s SER 80 Ca 0.43 -1.55 0.00 0.00 0.70 0.00 0.00 55.95 55.53 1x4e s SER 80 Cb -0.12 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 1x4e s SER 80 CO 0.22 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1x4e n GLY 81 N 4.69 0.47 0.17 9.45 0.00 -1.26 -4.97 105.19 113.75 1x4e n GLY 81 Ca -0.09 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 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 0.50 0.00 1.61 0.13 -2.05 -3.45 132.00 128.73 1x4e h PRO 82 Ca 0.00 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1x4e h PRO 82 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1x4e h PRO 82 CO 0.00 0.85 0.00 0.43 -0.23 0.00 0.00 178.00 179.05 1x4e n SER 83 N -4.43 0.00 -4.57 1.44 7.64 -1.26 -5.16 113.62 107.28 1x4e n SER 83 Ca -0.05 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.49 1x4e n SER 83 Cb 0.41 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.50 1x4e n SER 83 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4e s SER 84 N 0.00 4.89 0.00 6.43 0.01 -1.26 -5.32 113.70 118.45 1x4e s SER 84 Ca 0.00 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1x4e s SER 84 Cb 0.00 -1.55 0.00 0.00 0.21 0.00 0.00 66.02 64.68 1x4e s SER 84 CO 0.00 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.53