#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 1.15 -3.36 1.61 7.64 -1.26 -4.82 113.62 114.58 1x4e n SER 2 Ca 0.00 -0.06 -0.26 0.00 1.01 0.00 0.00 58.87 59.55 1x4e n SER 2 Cb 0.00 -1.19 -0.10 0.00 -1.01 0.00 0.00 64.21 61.92 1x4e n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x4e n SER 3 N 12.49 -0.58 0.00 6.43 2.88 -1.26 -5.00 113.62 128.59 1x4e n SER 3 Ca 0.54 -2.40 0.00 0.00 -1.33 0.00 0.00 58.87 55.68 1x4e n SER 3 Cb 0.23 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 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 2.80 2.31 3.07 0.46 0.00 -1.26 -5.17 105.19 107.39 1x4e n GLY 4 Ca 0.29 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 0.18 0.00 1.61 0.01 -1.26 -4.93 113.70 109.31 1x4e s SER 5 Ca 0.00 -0.47 0.20 0.00 1.31 0.00 0.00 55.95 56.99 1x4e s SER 5 Cb 0.00 0.18 -0.07 0.00 0.21 0.00 0.00 66.02 66.34 1x4e s SER 5 CO 0.00 -0.42 0.93 -1.54 0.41 0.00 0.00 173.24 172.62 1x4e n SER 6 N 1.15 1.55 -4.72 2.44 3.41 -1.26 -4.25 113.62 111.95 1x4e n SER 6 Ca -0.21 -1.28 -0.41 0.00 -0.26 0.00 0.00 58.87 56.71 1x4e n SER 6 Cb 0.57 0.65 -0.04 0.00 -0.26 0.00 0.00 64.21 65.13 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 -2.42 2.84 0.15 5.00 0.00 -1.26 -0.55 107.32 111.09 1x4e s GLY 7 Ca 0.13 0.41 0.10 0.00 0.00 0.00 0.00 44.72 45.36 1x4e s GLY 7 CO 0.59 1.45 -0.18 1.08 0.00 0.00 0.00 173.10 176.04 1x4e s LEU 8 N 0.67 2.68 -0.33 0.66 1.43 0.96 -2.42 118.68 122.33 1x4e s LEU 8 Ca 0.46 -0.65 -0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1x4e s LEU 8 Cb -0.20 -1.46 0.11 0.00 0.03 0.00 0.00 46.19 44.66 1x4e s LEU 8 CO 0.25 0.15 0.12 -0.47 0.23 0.00 0.00 176.35 176.63 1x4e s TYR 9 N -1.40 1.64 -0.32 0.29 6.14 -0.13 -1.75 117.35 121.83 1x4e s TYR 9 Ca 0.20 -1.79 -0.15 0.00 0.64 0.00 0.00 57.07 55.97 1x4e s TYR 9 Cb -0.09 -1.67 -0.02 0.00 0.42 0.00 0.00 41.96 40.60 1x4e s TYR 9 CO 0.11 -0.86 0.38 0.42 0.64 0.00 0.00 175.55 176.24 1x4e s ILE 10 N 1.45 5.15 0.44 3.14 1.09 -0.04 -2.27 121.20 130.16 1x4e s ILE 10 Ca 0.11 0.25 0.03 0.00 -1.10 0.00 0.00 60.65 59.94 1x4e s ILE 10 Cb -0.18 -3.80 0.00 0.00 -1.06 0.00 0.00 42.46 37.42 1x4e s ILE 10 CO -0.21 -0.02 0.63 -0.13 -0.10 0.00 0.00 174.94 175.11 1x4e s ARG 11 N 2.08 2.97 -0.38 2.79 0.52 0.39 0.13 118.95 127.45 1x4e s ARG 11 Ca 0.14 -0.72 -0.01 0.00 -0.52 0.00 0.00 55.73 54.61 1x4e s ARG 11 Cb -0.16 -2.62 -0.01 0.00 0.52 0.00 0.00 34.95 32.67 1x4e s ARG 11 CO 0.11 -0.27 0.34 0.41 0.02 0.00 0.00 175.30 175.91 1x4e n GLY 12 N -2.01 -0.37 0.00 -3.53 0.00 0.35 -4.20 105.19 95.43 1x4e n GLY 12 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.74 0.00 -4.90 0.99 4.77 -0.90 -4.99 117.00 110.23 1x4e n LEU 13 Ca -0.01 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.75 1x4e n LEU 13 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1x4e n LEU 13 CO 0.24 -0.03 -0.10 -1.10 -1.33 0.00 0.00 177.39 175.07 1x4e s GLN 14 N 0.68 3.19 0.51 3.23 -1.52 -1.26 -4.82 119.66 119.67 1x4e s GLN 14 Ca 0.00 -0.90 0.32 0.00 -1.95 0.00 0.00 55.36 52.83 1x4e s GLN 14 Cb 0.00 -2.73 1.35 0.00 -0.22 0.00 0.00 33.01 31.40 1x4e s GLN 14 CO 0.00 0.41 1.95 -1.00 -0.25 0.00 0.00 175.29 176.40 1x4e h PRO 15 N 1.32 0.00 -0.51 2.91 0.13 -1.80 -2.69 132.00 131.35 1x4e h PRO 15 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 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 -0.02 2.88 3.67 1.56 0.00 -1.26 -3.65 105.19 108.37 1x4e n GLY 16 Ca 0.01 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.51 3.11 0.24 2.61 2.01 -1.02 -4.99 115.64 116.09 1x4e s THR 17 Ca 0.40 0.27 0.02 0.00 0.31 0.00 0.00 61.69 62.69 1x4e s THR 17 Cb 0.24 -3.18 0.02 0.00 0.01 0.00 0.00 72.50 69.60 1x4e s THR 17 CO 0.21 -0.02 0.17 0.35 -0.69 0.00 0.00 174.62 174.65 1x4e n THR 18 N 5.31 0.00 0.40 -0.82 -2.24 -1.26 -4.81 114.28 110.87 1x4e n THR 18 Ca 0.18 -0.95 -0.18 0.00 -2.27 0.00 0.00 64.05 60.83 1x4e n THR 18 Cb 0.41 -0.29 -0.09 0.00 -2.10 0.00 0.00 70.33 68.26 1x4e n THR 18 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1x4e h ASP 19 N 0.29 -0.84 -0.61 3.42 3.32 -1.94 -3.02 116.42 117.05 1x4e h ASP 19 Ca -0.15 0.03 0.12 0.00 0.02 0.00 0.00 57.03 57.05 1x4e h ASP 19 Cb 0.55 0.22 -0.11 0.00 0.22 0.00 0.00 39.33 40.20 1x4e h ASP 19 CO 0.24 -0.59 -0.15 1.56 -1.72 0.00 0.00 179.24 178.58 1x4e h GLN 20 N -1.00 0.00 -1.14 3.56 4.20 -1.97 0.33 115.11 119.10 1x4e h GLN 20 Ca -0.10 -0.00 0.32 0.00 0.06 0.00 0.00 58.65 58.93 1x4e h GLN 20 Cb 0.76 -0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.46 1x4e h GLN 20 CO 0.17 0.00 0.77 -0.44 -0.67 0.00 0.00 178.83 178.66 1x4e h ASP 21 N 0.00 0.25 -0.06 1.46 5.19 -1.93 0.10 116.42 121.44 1x4e h ASP 21 Ca 0.29 0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.73 1x4e h ASP 21 Cb 0.45 0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.98 1x4e h ASP 21 CO -0.62 0.02 -0.08 -0.07 -3.12 0.00 0.00 179.24 175.37 1x4e h LEU 22 N 0.21 0.17 -0.95 1.55 3.38 -0.23 -2.79 115.31 116.64 1x4e h LEU 22 Ca 0.61 -0.52 0.16 0.00 0.09 0.00 0.00 57.88 58.22 1x4e h LEU 22 Cb 1.94 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 42.54 1x4e h LEU 22 CO -0.20 0.66 0.56 0.58 0.09 0.00 0.00 178.44 180.13 1x4e h VAL 23 N -0.31 0.76 0.00 1.22 2.07 -0.50 0.46 116.25 119.96 1x4e h VAL 23 Ca 0.01 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1x4e h VAL 23 Cb 0.62 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1x4e h VAL 23 CO 0.02 0.14 0.00 0.11 0.02 0.00 0.00 177.57 177.86 1x4e h LYS 24 N 0.77 0.00 -0.02 1.57 6.56 -1.40 0.69 116.57 124.75 1x4e h LYS 24 Ca 0.52 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 60.07 1x4e h LYS 24 Cb 0.72 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.38 1x4e h LYS 24 CO -0.35 0.00 -0.21 1.25 -2.06 0.00 0.00 179.45 178.08 1x4e h LEU 25 N 0.00 0.04 -2.48 2.94 5.85 0.22 -3.32 115.31 118.56 1x4e h LEU 25 Ca 0.00 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 1x4e h LEU 25 Cb 0.57 -0.01 -0.25 0.00 0.37 0.00 0.00 40.66 41.33 1x4e h LEU 25 CO 0.00 0.25 -0.65 0.00 -0.34 0.00 0.00 178.44 177.70 1x4e h GLN 27 N 0.49 -0.90 0.00 0.00 4.15 0.31 -2.74 115.11 116.41 1x4e h GLN 27 Ca -0.40 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.08 1x4e h GLN 27 Cb 1.65 0.20 0.00 0.00 0.21 0.00 0.00 27.48 29.54 1x4e h GLN 27 CO -0.10 -0.57 0.00 -0.35 -1.93 0.00 0.00 178.83 175.88 1x4e n PRO 28 N -5.43 0.49 0.01 -2.39 -0.04 -1.26 -2.79 135.00 123.58 1x4e n PRO 28 Ca -0.13 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.12 1x4e n PRO 28 Cb 0.39 -1.42 -0.14 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.44 -0.85 0.54 -1.99 -1.86 -3.50 116.97 109.74 1x4e h TYR 29 Ca 0.00 -0.32 0.00 0.00 2.00 0.00 0.00 58.73 60.41 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 1.60 0.00 0.41 -0.00 0.00 0.00 178.16 180.17 1x4e n GLY 30 N 1.77 1.13 3.66 3.88 0.00 -1.12 -4.96 105.19 109.56 1x4e n GLY 30 Ca -0.27 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.62 4.26 -0.32 1.61 2.20 -1.26 -4.71 119.74 120.89 1x4e s LYS 31 Ca 0.00 1.31 -0.09 0.00 -0.36 0.00 0.00 55.97 56.82 1x4e s LYS 31 Cb 0.00 -3.63 0.01 0.00 -1.51 0.00 0.00 37.83 32.69 1x4e s LYS 31 CO 0.00 -0.59 0.15 0.42 -0.36 0.00 0.00 175.35 174.96 1x4e s ILE 32 N 3.07 4.42 0.02 5.43 1.01 -1.26 -1.53 121.20 132.36 1x4e s ILE 32 Ca 0.43 -0.60 -0.25 0.00 0.00 0.00 0.00 60.65 60.23 1x4e s ILE 32 Cb -0.15 -3.31 -0.14 0.00 0.01 0.00 0.00 42.46 38.86 1x4e s ILE 32 CO 0.07 -0.00 1.16 0.58 0.00 0.00 0.00 174.94 176.75 1x4e h VAL 33 N 5.77 0.00 -2.42 2.92 2.07 -0.96 -3.47 116.25 120.17 1x4e h VAL 33 Ca -0.30 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 1x4e h VAL 33 Cb 1.13 0.00 -0.22 0.00 -1.52 0.00 0.00 31.29 30.68 1x4e h VAL 33 CO 0.62 0.00 -0.07 -0.55 0.02 0.00 0.00 177.57 177.60 1x4e s SER 34 N -4.03 -0.56 0.01 0.57 0.15 -1.21 -5.05 113.70 103.58 1x4e s SER 34 Ca -0.13 1.04 0.01 0.00 0.70 0.00 0.00 55.95 57.57 1x4e s SER 34 Cb 0.01 1.06 -0.04 0.00 -1.71 0.00 0.00 66.02 65.34 1x4e s SER 34 CO 0.40 -0.22 0.05 0.42 1.20 0.00 0.00 173.24 175.09 1x4e s THR 35 N 0.14 4.50 -0.18 6.45 -4.23 -1.26 -2.18 115.64 118.88 1x4e s THR 35 Ca -0.01 -0.54 -0.05 0.00 -1.18 0.00 0.00 61.69 59.91 1x4e s THR 35 Cb -0.04 -3.06 0.06 0.00 1.34 0.00 0.00 72.50 70.81 1x4e s THR 35 CO 0.01 0.32 0.08 -0.75 -0.54 0.00 0.00 174.62 173.74 1x4e s LYS 36 N -1.80 0.18 -0.16 3.99 2.47 -0.45 -4.95 119.74 119.03 1x4e s LYS 36 Ca 0.23 -0.17 -0.23 0.00 -1.56 0.00 0.00 55.97 54.24 1x4e s LYS 36 Cb -0.12 -1.85 -0.02 0.00 -1.46 0.00 0.00 37.83 34.38 1x4e s LYS 36 CO 0.14 -0.69 0.72 0.00 0.16 0.00 0.00 175.35 175.68 1x4e s ALA 37 N 2.08 3.49 -0.23 3.13 0.00 -1.26 0.42 121.76 129.40 1x4e s ALA 37 Ca 0.02 -0.08 -0.29 0.00 0.00 0.00 0.00 51.96 51.61 1x4e s ALA 37 Cb -0.16 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 1x4e s ALA 37 CO -0.10 -0.50 1.57 0.42 0.00 0.00 0.00 175.76 177.15 1x4e s ILE 38 N 1.78 3.75 0.07 0.00 -1.09 -0.86 -4.94 121.20 119.91 1x4e s ILE 38 Ca 0.34 0.85 0.09 0.00 -2.23 0.00 0.00 60.65 59.70 1x4e s ILE 38 Cb -0.16 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 36.92 1x4e s ILE 38 CO 0.13 -0.31 -0.23 -0.76 -1.23 0.00 0.00 174.94 172.53 1x4e s LEU 39 N 5.07 2.38 1.03 2.97 1.43 -1.26 -2.14 118.68 128.16 1x4e s LEU 39 Ca 0.69 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 53.11 1x4e s LEU 39 Cb -0.24 -1.37 0.21 0.00 0.03 0.00 0.00 46.19 44.82 1x4e s LEU 39 CO 0.28 0.23 1.09 -1.81 0.23 0.00 0.00 176.35 176.38 1x4e s ASP 40 N -1.57 2.00 -0.06 2.29 1.01 -1.26 -4.79 116.67 114.30 1x4e s ASP 40 Ca 0.14 1.92 0.14 0.00 0.71 0.00 0.00 52.55 55.46 1x4e s ASP 40 Cb -0.10 -2.47 -0.23 0.00 1.01 0.00 0.00 42.92 41.13 1x4e s ASP 40 CO 0.05 -3.63 0.58 1.17 0.21 0.00 0.00 175.17 173.55 1x4e n LYS 41 N -4.57 0.64 -0.08 8.23 4.81 -1.26 -2.99 118.16 122.94 1x4e n LYS 41 Ca 0.08 0.24 -0.08 0.00 -0.87 0.00 0.00 58.31 57.68 1x4e n LYS 41 Cb 0.53 -1.75 -0.03 0.00 0.02 0.00 0.00 35.03 33.80 1x4e n LYS 41 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1x4e n THR 42 N -2.98 1.46 0.07 3.15 -1.04 -1.26 -4.67 114.28 109.02 1x4e n THR 42 Ca -0.19 0.15 -0.18 0.00 -2.04 0.00 0.00 64.05 61.79 1x4e n THR 42 Cb 1.04 -2.34 -0.14 0.00 -1.82 0.00 0.00 70.33 67.07 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 -1.00 1.14 -5.82 12.58 1.35 -1.99 -3.48 112.91 115.69 1x4e h THR 43 Ca -0.04 -2.76 -0.41 0.00 -0.55 0.00 0.00 66.41 62.64 1x4e h THR 43 Cb 0.81 2.78 0.10 0.00 -1.73 0.00 0.00 68.15 70.11 1x4e h THR 43 CO -0.03 0.83 -0.69 -3.20 -0.25 0.00 0.00 175.52 172.18 1x4e n ASN 44 N -3.49 -6.07 -2.50 5.36 5.15 -1.16 -4.90 115.26 107.65 1x4e n ASN 44 Ca -0.17 -0.56 -0.32 0.00 -0.60 0.00 0.00 54.58 52.92 1x4e n ASN 44 Cb 1.05 -4.80 0.03 0.00 -0.53 0.00 0.00 39.78 35.54 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 -4.87 3.12 -2.51 1.20 2.85 -1.26 -4.57 118.16 112.12 1x4e n LYS 45 Ca 0.01 -3.91 -0.02 0.00 -1.05 0.00 0.00 58.31 53.33 1x4e n LYS 45 Cb 0.56 -2.27 -0.02 0.00 -0.65 0.00 0.00 35.03 32.65 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 4.34 0.00 0.00 0.00 1.57 -1.74 -3.41 116.57 117.33 1x4e h LYS 47 Ca -0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1x4e h LYS 47 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 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 -1.40 1.61 3.00 3.86 0.00 -1.26 -4.95 105.19 106.06 1x4e n GLY 48 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.61 0.26 0.02 1.61 2.02 -1.26 0.13 117.35 118.53 1x4e s TYR 49 Ca 0.00 -0.55 0.03 0.00 -0.37 0.00 0.00 57.07 56.18 1x4e s TYR 49 Cb 0.00 -0.20 -0.02 0.00 -0.40 0.00 0.00 41.96 41.35 1x4e s TYR 49 CO 0.00 -0.22 -0.08 0.20 -1.57 0.00 0.00 175.55 173.88 1x4e s GLY 50 N -1.59 0.48 -0.05 0.71 0.00 0.12 -2.03 107.32 104.95 1x4e s GLY 50 Ca -0.14 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.02 1x4e s GLY 50 CO -0.02 -0.56 -0.03 -0.12 0.00 0.00 0.00 173.10 172.37 1x4e s PHE 51 N -0.75 3.03 -0.22 1.90 2.19 0.17 -0.86 117.98 123.44 1x4e s PHE 51 Ca -0.02 0.08 -0.04 0.00 0.33 0.00 0.00 56.93 57.28 1x4e s PHE 51 Cb -0.06 -1.71 0.10 0.00 -1.31 0.00 0.00 43.02 40.03 1x4e s PHE 51 CO 0.00 0.41 0.22 0.08 1.83 0.00 0.00 175.22 177.76 1x4e s VAL 52 N -0.92 -0.32 -0.13 3.12 1.01 -0.72 -1.34 120.40 121.12 1x4e s VAL 52 Ca 0.15 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 1x4e s VAL 52 Cb -0.11 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 1x4e s VAL 52 CO 0.04 -0.26 0.24 -1.81 0.00 0.00 0.00 175.10 173.32 1x4e s ASP 53 N 2.32 6.45 0.33 3.32 1.11 -0.93 -0.03 116.67 129.25 1x4e s ASP 53 Ca 0.07 0.53 0.08 0.00 0.18 0.00 0.00 52.55 53.41 1x4e s ASP 53 Cb -0.16 -2.15 -0.03 0.00 1.07 0.00 0.00 42.92 41.66 1x4e s ASP 53 CO -0.16 0.24 0.26 -0.36 1.18 0.00 0.00 175.17 176.33 1x4e s PHE 54 N -0.24 2.88 -1.57 4.23 0.40 0.29 -0.37 117.98 123.59 1x4e s PHE 54 Ca 0.16 -0.31 0.20 0.00 -0.60 0.00 0.00 56.93 56.38 1x4e s PHE 54 Cb -0.13 -1.75 1.04 0.00 0.51 0.00 0.00 43.02 42.69 1x4e s PHE 54 CO 0.05 0.23 1.61 -0.40 0.70 0.00 0.00 175.22 177.40 1x4e n ASP 55 N -1.32 0.00 -3.52 1.36 5.75 -0.58 -4.58 116.55 113.66 1x4e n ASP 55 Ca -0.02 -0.15 -0.15 0.00 -0.01 0.00 0.00 54.79 54.46 1x4e n ASP 55 Cb 0.60 -0.21 -0.05 0.00 -1.03 0.00 0.00 41.12 40.42 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 -2.43 -0.56 0.18 -1.12 0.01 -1.26 -5.06 113.70 103.46 1x4e s SER 56 Ca 0.21 0.51 -0.06 0.00 1.31 0.00 0.00 55.95 57.93 1x4e s SER 56 Cb 0.13 0.48 0.08 0.00 0.21 0.00 0.00 66.02 66.92 1x4e s SER 56 CO 0.28 -0.58 1.53 1.55 0.41 0.00 0.00 173.24 176.42 1x4e h PRO 57 N 2.71 0.75 0.00 12.44 0.13 -1.86 -2.74 132.00 143.43 1x4e h PRO 57 Ca -0.25 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1x4e h PRO 57 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1x4e h PRO 57 CO 0.36 1.02 0.00 1.03 -0.23 0.00 0.00 178.00 180.18 1x4e h SER 58 N 0.61 0.00 0.06 1.44 0.87 -1.97 -2.57 113.55 112.00 1x4e h SER 58 Ca 0.05 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.32 1x4e h SER 58 Cb 0.96 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 1x4e h SER 58 CO 0.09 0.00 -1.58 0.00 -0.53 0.00 0.00 176.83 174.81 1x4e h ALA 59 N 2.14 0.32 -0.50 6.23 0.00 -1.87 -3.37 119.26 122.21 1x4e h ALA 59 Ca 0.00 -1.27 0.02 0.00 0.00 0.00 0.00 54.91 53.66 1x4e h ALA 59 Cb 0.25 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1x4e h ALA 59 CO 0.00 0.97 0.30 0.00 0.00 0.00 0.00 179.25 180.51 1x4e h ALA 60 N -0.21 0.64 -0.91 0.00 0.00 -1.27 -2.39 119.26 115.11 1x4e h ALA 60 Ca -0.38 -0.01 0.23 0.00 0.00 0.00 0.00 54.91 54.76 1x4e h ALA 60 Cb 1.66 -0.14 -0.13 0.00 0.00 0.00 0.00 17.79 19.17 1x4e h ALA 60 CO -0.06 -0.00 0.39 1.96 0.00 0.00 0.00 179.25 181.54 1x4e h GLN 61 N 0.59 0.35 -1.08 0.00 4.20 -1.65 0.35 115.11 117.88 1x4e h GLN 61 Ca 0.20 -0.02 0.29 0.00 0.06 0.00 0.00 58.65 59.18 1x4e h GLN 61 Cb 0.02 -0.08 -0.10 0.00 0.30 0.00 0.00 27.48 27.61 1x4e h GLN 61 CO -0.09 0.23 0.68 -0.22 -0.67 0.00 0.00 178.83 178.77 1x4e h LYS 62 N 0.36 0.35 0.13 1.46 3.64 -1.59 0.13 116.57 121.05 1x4e h LYS 62 Ca 0.58 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.93 1x4e h LYS 62 Cb 1.14 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1x4e h LYS 62 CO -0.56 0.23 -0.06 0.00 -2.27 0.00 0.00 179.45 176.79 1x4e h ALA 63 N 1.64 -0.17 -0.66 5.00 0.00 -0.41 -2.91 119.26 121.75 1x4e h ALA 63 Ca 0.64 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 55.40 1x4e h ALA 63 Cb 1.65 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.44 1x4e h ALA 63 CO -0.35 -0.31 0.31 0.28 0.00 0.00 0.00 179.25 179.18 1x4e h VAL 64 N -0.75 0.84 0.18 0.00 2.07 -1.02 0.48 116.25 118.06 1x4e h VAL 64 Ca -0.02 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.33 1x4e h VAL 64 Cb 0.54 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1x4e h VAL 64 CO 0.03 0.10 -0.29 0.74 0.02 0.00 0.00 177.57 178.17 1x4e h THR 65 N 0.54 0.38 0.27 2.57 2.02 -0.87 -1.10 112.91 116.72 1x4e h THR 65 Ca 0.32 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.49 1x4e h THR 65 Cb 0.34 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1x4e h THR 65 CO -0.26 0.00 -0.13 0.00 0.37 0.00 0.00 175.52 175.49 1x4e h ALA 66 N 0.11 -0.64 -0.78 6.16 0.00 -1.25 -3.17 119.26 119.69 1x4e h ALA 66 Ca 0.01 -0.08 0.24 0.00 0.00 0.00 0.00 54.91 55.08 1x4e h ALA 66 Cb 0.54 0.14 -0.15 0.00 0.00 0.00 0.00 17.79 18.33 1x4e h ALA 66 CO -0.13 -0.61 0.09 1.28 0.00 0.00 0.00 179.25 179.88 1x4e n LEU 67 N -3.61 -0.03 -0.04 0.00 4.77 0.16 0.14 117.00 118.40 1x4e n LEU 67 Ca -0.05 1.33 -0.08 0.00 -0.03 0.00 0.00 56.01 57.18 1x4e n LEU 67 Cb 0.14 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.70 1x4e n LEU 67 CO 0.11 -1.37 0.79 0.11 -1.33 0.00 0.00 177.39 175.70 1x4e h LYS 68 N 0.00 -0.08 0.00 3.23 1.57 -1.24 0.14 116.57 120.19 1x4e h LYS 68 Ca 0.51 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.28 1x4e h LYS 68 Cb 1.11 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 1x4e h LYS 68 CO -0.72 -0.05 -0.05 0.00 -0.57 0.00 0.00 179.45 178.07 1x4e h ALA 69 N 1.09 1.18 0.00 3.86 0.00 0.12 -1.56 119.26 123.95 1x4e h ALA 69 Ca 0.11 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1x4e h ALA 69 Cb 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1x4e h ALA 69 CO -0.26 0.06 -0.48 1.03 0.00 0.00 0.00 179.25 179.60 1x4e h SER 70 N 0.00 0.00 0.00 0.00 0.87 0.08 -3.47 113.55 111.03 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 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1x4e h SER 70 CO 0.01 0.48 0.00 0.61 -0.53 0.00 0.00 176.83 177.40 1x4e n GLY 71 N 0.39 1.47 3.35 5.77 0.00 -0.59 -5.10 105.19 110.49 1x4e n GLY 71 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 2.66 -0.53 1.61 0.11 -1.09 -5.06 120.40 116.09 1x4e s VAL 72 Ca 0.00 -0.84 -0.27 0.00 -2.93 0.00 0.00 61.98 57.95 1x4e s VAL 72 Cb 0.00 -2.05 -0.04 0.00 -1.53 0.00 0.00 36.38 32.77 1x4e s VAL 72 CO 0.00 0.56 2.06 -1.10 -3.33 0.00 0.00 175.10 173.29 1x4e s GLN 73 N -0.09 2.51 -0.10 1.54 -0.21 -1.26 -4.06 119.66 117.99 1x4e s GLN 73 Ca -0.04 1.00 0.01 0.00 0.02 0.00 0.00 55.36 56.36 1x4e s GLN 73 Cb -0.14 -4.44 0.02 0.00 1.00 0.00 0.00 33.01 29.44 1x4e s GLN 73 CO 0.04 -2.84 -0.12 0.00 -2.12 0.00 0.00 175.29 170.25 1x4e s ALA 74 N 9.99 1.47 0.33 6.09 0.00 -1.26 -0.46 121.76 137.92 1x4e s ALA 74 Ca 0.80 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 52.20 1x4e s ALA 74 Cb -0.16 -0.77 -0.05 0.00 0.00 0.00 0.00 23.12 22.15 1x4e s ALA 74 CO 0.24 -0.10 0.09 1.14 0.00 0.00 0.00 175.76 177.12 1x4e s GLN 75 N 1.06 1.67 -0.23 0.00 -2.07 -0.96 -4.86 119.66 114.27 1x4e s GLN 75 Ca -0.06 -1.95 -0.03 0.00 -1.82 0.00 0.00 55.36 51.50 1x4e s GLN 75 Cb -0.15 -0.67 -0.00 0.00 -1.09 0.00 0.00 33.01 31.10 1x4e s GLN 75 CO -0.02 -0.29 2.73 -1.33 -1.32 0.00 0.00 175.29 175.07 1x4e n MET 76 N -0.69 1.95 -2.92 9.60 2.81 -1.26 -0.96 117.12 125.65 1x4e n MET 76 Ca -0.03 -1.45 -0.02 0.00 -1.81 0.00 0.00 57.70 54.39 1x4e n MET 76 Cb 0.66 -1.82 -0.01 0.00 -0.71 0.00 0.00 33.22 31.34 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 1.30 -2.18 -1.87 3.04 0.00 -1.01 -4.74 120.51 115.04 1x4e n ALA 77 Ca 0.36 0.78 -0.42 0.00 0.00 0.00 0.00 53.44 54.17 1x4e n ALA 77 Cb 0.65 -1.84 -0.02 0.00 0.00 0.00 0.00 19.45 18.24 1x4e n ALA 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1x4e s LYS 78 N -0.49 4.22 0.00 0.00 -2.85 -1.26 -4.87 119.74 114.49 1x4e s LYS 78 Ca -0.09 2.38 0.00 0.00 -1.00 0.00 0.00 55.97 57.26 1x4e s LYS 78 Cb 0.01 -3.11 0.00 0.00 -2.06 0.00 0.00 37.83 32.67 1x4e s LYS 78 CO 0.31 -0.53 0.00 0.00 0.10 0.00 0.00 175.35 175.23 1x4e n GLN 79 N 2.92 1.02 0.02 1.78 10.64 -1.26 -4.97 117.38 127.54 1x4e n GLN 79 Ca 0.10 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.27 1x4e n GLN 79 Cb 0.39 -0.71 0.00 0.00 -0.86 0.00 0.00 30.24 29.06 1x4e n GLN 79 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1x4e n SER 80 N -1.45 0.37 0.00 2.61 7.64 -1.26 -5.16 113.62 116.36 1x4e n SER 80 Ca 0.00 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1x4e n SER 80 Cb 0.21 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1x4e n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4e n GLY 81 N 3.11 0.59 3.73 0.23 0.00 -1.26 -5.12 105.19 106.47 1x4e n GLY 81 Ca 0.00 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.92 4.38 0.42 1.61 0.04 -1.26 -5.01 135.00 133.26 1x4e s PRO 82 Ca 0.00 2.04 -0.22 0.00 0.04 0.00 0.00 61.00 62.85 1x4e s PRO 82 Cb 0.00 -3.22 -0.09 0.00 0.04 0.00 0.00 34.50 31.23 1x4e s PRO 82 CO 0.00 -0.29 1.01 -1.54 0.04 0.00 0.00 177.00 176.22 1x4e s SER 83 N 0.56 6.73 -0.36 6.66 1.04 -1.26 -4.98 113.70 122.09 1x4e s SER 83 Ca 0.59 1.91 0.06 0.00 0.48 0.00 0.00 55.95 58.99 1x4e s SER 83 Cb -0.36 -2.57 0.45 0.00 0.10 0.00 0.00 66.02 63.64 1x4e s SER 83 CO 0.36 -0.51 1.26 -1.54 0.98 0.00 0.00 173.24 173.79 1x4e n SER 84 N -0.39 5.18 0.00 7.02 3.41 -1.26 -5.28 113.62 122.30 1x4e n SER 84 Ca 0.06 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.92 1x4e n SER 84 Cb 0.51 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1x4e n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49