#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 -1.05 0.06 1.61 1.04 -1.26 -5.03 113.70 109.07 1x4e s SER 2 Ca 0.00 -1.55 0.00 0.00 0.48 0.00 0.00 55.95 54.88 1x4e s SER 2 Cb 0.00 1.63 0.00 0.00 0.10 0.00 0.00 66.02 67.75 1x4e s SER 2 CO 0.00 -0.11 0.00 -0.24 0.98 0.00 0.00 173.24 173.87 1x4e n SER 3 N 3.47 -0.09 0.00 7.02 2.88 -1.26 -5.14 113.62 120.49 1x4e n SER 3 Ca 0.16 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1x4e n SER 3 Cb 0.55 0.16 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 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 1.27 0.69 3.45 0.46 0.00 -1.26 -5.15 105.19 104.66 1x4e n GLY 4 Ca 0.00 0.40 -0.22 0.00 0.00 0.00 0.00 46.02 46.20 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 2.70 -0.01 1.61 0.01 -1.26 -4.80 113.70 111.94 1x4e s SER 5 Ca 0.00 -1.28 0.16 0.00 1.31 0.00 0.00 55.95 56.14 1x4e s SER 5 Cb 0.00 -0.15 -0.21 0.00 0.21 0.00 0.00 66.02 65.87 1x4e s SER 5 CO 0.00 -0.46 0.57 -1.54 0.41 0.00 0.00 173.24 172.22 1x4e n SER 6 N -0.66 0.91 -4.72 2.44 3.41 -1.26 -4.25 113.62 109.50 1x4e n SER 6 Ca -0.04 -0.56 -0.42 0.00 -0.26 0.00 0.00 58.87 57.60 1x4e n SER 6 Cb 0.65 1.28 -0.03 0.00 -0.26 0.00 0.00 64.21 65.85 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 -3.05 2.84 0.15 5.00 0.00 -1.26 -0.85 107.32 110.14 1x4e s GLY 7 Ca 0.02 0.63 0.10 0.00 0.00 0.00 0.00 44.72 45.46 1x4e s GLY 7 CO 0.68 1.69 -0.19 1.08 0.00 0.00 0.00 173.10 176.36 1x4e s LEU 8 N 0.65 2.62 -0.31 0.66 1.43 0.14 -2.74 118.68 121.12 1x4e s LEU 8 Ca 0.52 -0.67 -0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1x4e s LEU 8 Cb -0.24 -1.42 0.10 0.00 0.03 0.00 0.00 46.19 44.67 1x4e s LEU 8 CO 0.29 0.15 0.12 -0.47 0.23 0.00 0.00 176.35 176.68 1x4e s TYR 9 N -1.36 1.23 -0.29 0.29 6.14 0.16 -1.42 117.35 122.09 1x4e s TYR 9 Ca 0.19 -1.50 -0.12 0.00 0.64 0.00 0.00 57.07 56.28 1x4e s TYR 9 Cb -0.09 -1.42 -0.04 0.00 0.42 0.00 0.00 41.96 40.82 1x4e s TYR 9 CO 0.10 -0.85 0.24 0.42 0.64 0.00 0.00 175.55 176.10 1x4e s ILE 10 N 1.66 5.27 0.49 3.14 1.09 0.08 -2.05 121.20 130.88 1x4e s ILE 10 Ca 0.10 0.17 0.04 0.00 -1.10 0.00 0.00 60.65 59.87 1x4e s ILE 10 Cb -0.18 -3.61 0.02 0.00 -1.06 0.00 0.00 42.46 37.64 1x4e s ILE 10 CO -0.26 0.17 0.68 -0.13 -0.10 0.00 0.00 174.94 175.30 1x4e s ARG 11 N 1.83 2.69 -0.39 2.79 0.52 0.37 0.19 118.95 126.94 1x4e s ARG 11 Ca 0.09 -0.96 -0.02 0.00 -0.52 0.00 0.00 55.73 54.31 1x4e s ARG 11 Cb -0.16 -2.61 -0.02 0.00 0.52 0.00 0.00 34.95 32.68 1x4e s ARG 11 CO 0.11 -0.50 0.35 0.41 0.02 0.00 0.00 175.30 175.68 1x4e n GLY 12 N -2.12 0.01 0.00 -3.53 0.00 0.97 -4.24 105.19 96.28 1x4e n GLY 12 Ca 0.08 0.06 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 -2.07 0.00 -4.75 0.99 4.77 -1.15 -5.00 117.00 109.79 1x4e n LEU 13 Ca -0.02 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.72 1x4e n LEU 13 Cb 0.54 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 1x4e n LEU 13 CO 0.23 -0.14 -0.24 -1.10 -1.33 0.00 0.00 177.39 174.81 1x4e s GLN 14 N -0.45 2.68 0.04 3.23 -1.52 -1.26 -4.85 119.66 117.52 1x4e s GLN 14 Ca 0.00 -1.12 0.16 0.00 -1.95 0.00 0.00 55.36 52.45 1x4e s GLN 14 Cb 0.00 -2.44 0.66 0.00 -0.22 0.00 0.00 33.01 31.01 1x4e s GLN 14 CO 0.00 0.42 1.49 -0.35 -0.25 0.00 0.00 175.29 176.60 1x4e n PRO 15 N -0.78 0.03 0.00 2.91 -0.04 -1.26 -2.20 135.00 133.66 1x4e n PRO 15 Ca -0.08 0.28 0.09 0.00 -0.04 0.00 0.00 63.50 63.75 1x4e n PRO 15 Cb 0.57 -1.55 0.01 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.03 0.04 3.63 0.55 0.00 -1.26 -4.30 105.19 103.82 1x4e n GLY 16 Ca 0.03 -0.52 -0.49 0.00 0.00 0.00 0.00 46.02 45.04 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 0.05 0.05 -4.28 2.61 -1.04 -0.93 -4.98 114.28 105.76 1x4e n THR 17 Ca 0.08 -0.01 -0.23 0.00 -2.04 0.00 0.00 64.05 61.85 1x4e n THR 17 Cb 0.39 -1.16 -0.03 0.00 -1.82 0.00 0.00 70.33 67.71 1x4e n THR 17 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1x4e n THR 18 N 2.87 0.00 0.19 12.58 -2.24 -1.26 -4.86 114.28 121.56 1x4e n THR 18 Ca 0.17 -1.74 -0.08 0.00 -2.27 0.00 0.00 64.05 60.13 1x4e n THR 18 Cb 0.24 0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.60 1x4e n THR 18 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1x4e h ASP 19 N 0.76 -0.50 -1.04 3.42 2.03 -1.93 -2.80 116.42 116.35 1x4e h ASP 19 Ca -0.30 0.02 0.29 0.00 -0.73 0.00 0.00 57.03 56.32 1x4e h ASP 19 Cb 0.96 0.14 -0.12 0.00 -0.83 0.00 0.00 39.33 39.48 1x4e h ASP 19 CO 0.48 -0.31 0.64 1.56 -1.03 0.00 0.00 179.24 180.57 1x4e h GLN 20 N -0.51 0.41 -0.92 4.15 4.20 -1.98 0.26 115.11 120.73 1x4e h GLN 20 Ca -0.05 -0.02 0.19 0.00 0.06 0.00 0.00 58.65 58.83 1x4e h GLN 20 Cb 0.40 -0.09 -0.11 0.00 0.30 0.00 0.00 27.48 27.98 1x4e h GLN 20 CO 0.06 0.27 0.47 0.22 -0.67 0.00 0.00 178.83 179.18 1x4e h ASP 21 N 0.42 0.52 -0.57 1.46 1.82 -1.90 0.12 116.42 118.29 1x4e h ASP 21 Ca 0.67 0.12 -0.09 0.00 -0.39 0.00 0.00 57.03 57.34 1x4e h ASP 21 Cb 1.54 0.05 -0.02 0.00 0.68 0.00 0.00 39.33 41.57 1x4e h ASP 21 CO -0.44 0.13 0.04 -0.07 -1.61 0.00 0.00 179.24 177.29 1x4e h LEU 22 N 0.56 0.98 -0.62 2.28 3.38 -0.37 -2.74 115.31 118.78 1x4e h LEU 22 Ca 0.54 -0.26 0.09 0.00 0.09 0.00 0.00 57.88 58.35 1x4e h LEU 22 Cb 0.93 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.34 1x4e h LEU 22 CO -0.44 1.02 0.24 0.58 0.09 0.00 0.00 178.44 179.93 1x4e h VAL 23 N 0.94 0.78 0.00 1.22 2.07 -0.71 0.63 116.25 121.19 1x4e h VAL 23 Ca 0.18 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 1x4e h VAL 23 Cb 0.49 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1x4e h VAL 23 CO 0.02 0.08 -0.17 0.11 0.02 0.00 0.00 177.57 177.63 1x4e h LYS 24 N 0.43 0.00 -0.28 1.57 1.57 -1.31 0.91 116.57 119.45 1x4e h LYS 24 Ca 0.31 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.17 1x4e h LYS 24 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1x4e h LYS 24 CO -0.30 0.17 0.21 1.25 -0.57 0.00 0.00 179.45 180.21 1x4e h LEU 25 N 0.00 0.00 -2.60 2.94 5.85 -0.57 -3.23 115.31 117.71 1x4e h LEU 25 Ca -0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 1x4e h LEU 25 Cb 0.62 0.00 -0.23 0.00 0.37 0.00 0.00 40.66 41.41 1x4e h LEU 25 CO 0.02 0.00 -0.59 0.00 -0.34 0.00 0.00 178.44 177.53 1x4e h GLN 27 N 0.49 -0.83 0.00 0.00 4.15 0.83 -2.90 115.11 116.85 1x4e h GLN 27 Ca -0.43 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.05 1x4e h GLN 27 Cb 1.58 0.19 0.00 0.00 0.21 0.00 0.00 27.48 29.46 1x4e h GLN 27 CO -0.13 -0.51 0.00 -0.35 -1.93 0.00 0.00 178.83 175.91 1x4e n PRO 28 N -5.37 0.49 0.01 -2.39 -0.04 -1.26 -2.40 135.00 124.03 1x4e n PRO 28 Ca -0.12 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.27 1x4e n PRO 28 Cb 0.36 -1.39 -0.12 0.00 -0.04 0.00 0.00 33.50 32.30 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 0.00 0.00 0.54 -1.99 -1.89 -3.50 116.97 110.13 1x4e h TYR 29 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1x4e h TYR 29 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1x4e h TYR 29 CO 0.00 0.94 0.00 0.41 -0.00 0.00 0.00 178.16 179.51 1x4e n GLY 30 N 1.48 -0.56 3.66 3.88 0.00 -1.01 -4.93 105.19 107.72 1x4e n GLY 30 Ca -0.12 -0.74 -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 -0.77 4.28 -0.34 1.61 2.20 -1.26 -4.74 119.74 120.71 1x4e s LYS 31 Ca 0.00 1.05 -0.09 0.00 -0.36 0.00 0.00 55.97 56.57 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 -0.39 0.15 0.42 -0.36 0.00 0.00 175.35 175.17 1x4e s ILE 32 N 2.38 4.24 0.00 5.43 1.01 -1.26 -2.28 121.20 130.73 1x4e s ILE 32 Ca 0.39 -0.87 -0.19 0.00 0.00 0.00 0.00 60.65 59.98 1x4e s ILE 32 Cb -0.16 -3.33 -0.10 0.00 0.01 0.00 0.00 42.46 38.87 1x4e s ILE 32 CO 0.11 -0.14 0.94 0.58 0.00 0.00 0.00 174.94 176.43 1x4e h VAL 33 N 5.94 0.00 -2.99 2.92 2.07 -1.44 -3.48 116.25 119.28 1x4e h VAL 33 Ca -0.26 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 66.91 1x4e h VAL 33 Cb 1.10 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.69 1x4e h VAL 33 CO 0.63 0.00 -0.17 -0.44 0.02 0.00 0.00 177.57 177.61 1x4e s SER 34 N -3.97 -0.25 0.02 0.57 0.01 -1.22 -5.05 113.70 103.81 1x4e s SER 34 Ca -0.10 0.06 0.08 0.00 1.31 0.00 0.00 55.95 57.30 1x4e s SER 34 Cb 0.01 0.38 -0.03 0.00 0.21 0.00 0.00 66.02 66.59 1x4e s SER 34 CO 0.30 -0.57 -0.24 0.42 0.41 0.00 0.00 173.24 173.55 1x4e s THR 35 N -1.95 2.27 -0.21 1.44 -4.23 -1.26 -1.84 115.64 109.86 1x4e s THR 35 Ca -0.09 -1.24 -0.04 0.00 -1.18 0.00 0.00 61.69 59.15 1x4e s THR 35 Cb -0.02 -1.86 0.07 0.00 1.34 0.00 0.00 72.50 72.02 1x4e s THR 35 CO 0.01 0.44 0.08 -0.75 -0.54 0.00 0.00 174.62 173.86 1x4e s LYS 36 N -1.05 0.31 -0.11 3.99 2.47 -0.11 -4.98 119.74 120.27 1x4e s LYS 36 Ca 0.12 -0.34 -0.25 0.00 -1.56 0.00 0.00 55.97 53.94 1x4e s LYS 36 Cb -0.10 -1.81 -0.03 0.00 -1.46 0.00 0.00 37.83 34.44 1x4e s LYS 36 CO 0.01 -0.75 0.77 0.00 0.16 0.00 0.00 175.35 175.55 1x4e s ALA 37 N 2.01 3.41 -0.30 3.13 0.00 -1.26 0.04 121.76 128.79 1x4e s ALA 37 Ca 0.03 0.09 -0.29 0.00 0.00 0.00 0.00 51.96 51.80 1x4e s ALA 37 Cb -0.16 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 1x4e s ALA 37 CO -0.15 -0.38 1.63 0.42 0.00 0.00 0.00 175.76 177.29 1x4e s ILE 38 N 1.46 3.67 0.14 0.00 -1.09 -0.64 -4.94 121.20 119.81 1x4e s ILE 38 Ca 0.38 0.72 0.07 0.00 -2.23 0.00 0.00 60.65 59.59 1x4e s ILE 38 Cb -0.17 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 1x4e s ILE 38 CO 0.16 -0.43 -0.04 -0.76 -1.23 0.00 0.00 174.94 172.64 1x4e s LEU 39 N 5.82 3.21 0.95 2.97 1.43 -1.26 -1.26 118.68 130.54 1x4e s LEU 39 Ca 0.72 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 53.33 1x4e s LEU 39 Cb -0.22 -1.92 0.16 0.00 0.03 0.00 0.00 46.19 44.24 1x4e s LEU 39 CO 0.31 0.13 1.09 -1.81 0.23 0.00 0.00 176.35 176.31 1x4e s ASP 40 N -2.61 2.81 -0.03 2.29 1.01 -1.26 -4.65 116.67 114.22 1x4e s ASP 40 Ca 0.25 1.77 -0.08 0.00 0.71 0.00 0.00 52.55 55.21 1x4e s ASP 40 Cb -0.10 -2.38 -0.29 0.00 1.01 0.00 0.00 42.92 41.16 1x4e s ASP 40 CO 0.17 -3.10 0.71 0.50 0.21 0.00 0.00 175.17 173.66 1x4e h LYS 41 N -1.87 0.33 0.00 8.23 1.63 -2.00 -3.15 116.57 119.75 1x4e h LYS 41 Ca -0.49 -0.57 0.00 0.00 -0.85 0.00 0.00 60.65 58.74 1x4e h LYS 41 Cb 1.28 0.21 0.00 0.00 -0.60 0.00 0.00 32.23 33.13 1x4e h LYS 41 CO 0.49 1.23 -0.21 2.41 -3.45 0.00 0.00 179.45 179.91 1x4e n THR 42 N -3.53 0.45 -0.14 1.00 -1.04 -1.26 -4.63 114.28 105.14 1x4e n THR 42 Ca -0.22 0.40 -0.13 0.00 -2.04 0.00 0.00 64.05 62.07 1x4e n THR 42 Cb 1.06 -1.77 -0.01 0.00 -1.82 0.00 0.00 70.33 67.79 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 -0.31 1.27 -5.77 12.58 1.35 -1.99 -3.47 112.91 116.56 1x4e h THR 43 Ca 0.00 -1.49 -0.36 0.00 -0.55 0.00 0.00 66.41 64.01 1x4e h THR 43 Cb 0.21 1.28 0.14 0.00 -1.73 0.00 0.00 68.15 68.05 1x4e h THR 43 CO 0.00 0.51 -0.75 -3.20 -0.25 0.00 0.00 175.52 171.83 1x4e n ASN 44 N -4.08 -3.32 -2.50 5.36 5.15 -1.19 -4.90 115.26 109.78 1x4e n ASN 44 Ca -0.01 -0.62 -0.28 0.00 -0.60 0.00 0.00 54.58 53.07 1x4e n ASN 44 Cb 0.51 -4.96 0.00 0.00 -0.53 0.00 0.00 39.78 34.81 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 -4.42 3.39 -2.74 1.20 2.85 -1.26 -4.59 118.16 112.59 1x4e n LYS 45 Ca -0.19 -4.43 -0.03 0.00 -1.05 0.00 0.00 58.31 52.60 1x4e n LYS 45 Cb 0.63 -2.25 -0.03 0.00 -0.65 0.00 0.00 35.03 32.73 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 3.97 0.00 0.00 0.00 1.57 -1.45 -3.42 116.57 117.24 1x4e h LYS 47 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1x4e h LYS 47 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1x4e h LYS 47 CO 0.03 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.32 1x4e n GLY 48 N -1.66 1.35 3.11 3.86 0.00 -1.26 -4.98 105.19 105.61 1x4e n GLY 48 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.35 0.17 0.02 1.61 2.02 -1.26 -0.02 117.35 118.54 1x4e s TYR 49 Ca 0.00 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.30 1x4e s TYR 49 Cb 0.00 -0.12 -0.01 0.00 -0.40 0.00 0.00 41.96 41.42 1x4e s TYR 49 CO 0.00 -0.34 -0.07 0.20 -1.57 0.00 0.00 175.55 173.77 1x4e s GLY 50 N -1.92 0.41 -0.10 0.71 0.00 0.13 -1.62 107.32 104.93 1x4e s GLY 50 Ca -0.08 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.14 1x4e s GLY 50 CO -0.03 -0.51 -0.11 -0.12 0.00 0.00 0.00 173.10 172.33 1x4e s PHE 51 N -0.72 2.84 -0.18 1.90 2.19 0.11 -0.75 117.98 123.37 1x4e s PHE 51 Ca -0.03 -0.33 -0.04 0.00 0.33 0.00 0.00 56.93 56.85 1x4e s PHE 51 Cb -0.06 -1.78 0.06 0.00 -1.31 0.00 0.00 43.02 39.93 1x4e s PHE 51 CO 0.00 0.02 0.08 0.08 1.83 0.00 0.00 175.22 177.23 1x4e s VAL 52 N -0.15 0.11 -0.09 3.12 1.01 -0.51 -0.93 120.40 122.96 1x4e s VAL 52 Ca 0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 1x4e s VAL 52 Cb -0.13 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 1x4e s VAL 52 CO 0.03 -0.28 0.26 -1.81 0.00 0.00 0.00 175.10 173.30 1x4e s ASP 53 N 2.05 6.54 0.39 3.32 1.11 -0.77 0.25 116.67 129.55 1x4e s ASP 53 Ca 0.01 0.64 0.08 0.00 0.18 0.00 0.00 52.55 53.46 1x4e s ASP 53 Cb -0.16 -2.16 -0.03 0.00 1.07 0.00 0.00 42.92 41.64 1x4e s ASP 53 CO -0.10 0.31 0.30 -0.36 1.18 0.00 0.00 175.17 176.50 1x4e s PHE 54 N -0.69 2.74 -0.21 4.23 0.40 -0.03 -1.27 117.98 123.16 1x4e s PHE 54 Ca 0.18 -0.44 0.28 0.00 -0.60 0.00 0.00 56.93 56.35 1x4e s PHE 54 Cb -0.14 -1.98 0.94 0.00 0.51 0.00 0.00 43.02 42.35 1x4e s PHE 54 CO 0.07 0.05 1.81 0.38 0.70 0.00 0.00 175.22 178.24 1x4e h ASP 55 N 1.20 0.00 -4.84 1.36 2.03 -1.80 -3.42 116.42 110.95 1x4e h ASP 55 Ca -0.43 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 55.73 1x4e h ASP 55 Cb 1.26 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 39.55 1x4e h ASP 55 CO 0.60 0.00 -0.46 -0.44 -1.03 0.00 0.00 179.24 177.91 1x4e s SER 56 N -5.63 -0.03 0.27 4.15 0.01 -1.26 -5.03 113.70 106.18 1x4e s SER 56 Ca 0.04 -0.09 0.24 0.00 1.31 0.00 0.00 55.95 57.45 1x4e s SER 56 Cb 0.08 0.24 1.00 0.00 0.21 0.00 0.00 66.02 67.55 1x4e s SER 56 CO 0.57 -0.35 1.72 -0.81 0.41 0.00 0.00 173.24 174.79 1x4e n PRO 57 N 1.60 0.20 0.05 12.44 -0.04 -1.26 -2.10 135.00 145.90 1x4e n PRO 57 Ca -0.21 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 63.80 1x4e n PRO 57 Cb 0.56 -1.89 0.24 0.00 -0.04 0.00 0.00 33.50 32.37 1x4e n PRO 57 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x4e n SER 58 N -2.27 0.63 0.00 3.54 3.41 -1.26 -3.71 113.62 113.97 1x4e n SER 58 Ca 0.02 0.13 -0.22 0.00 -0.26 0.00 0.00 58.87 58.55 1x4e n SER 58 Cb 0.23 0.03 -0.14 0.00 -0.26 0.00 0.00 64.21 64.07 1x4e n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x4e h ALA 59 N 2.63 0.39 -0.43 7.33 0.00 -1.77 -3.37 119.26 124.04 1x4e h ALA 59 Ca 0.00 -1.35 0.02 0.00 0.00 0.00 0.00 54.91 53.57 1x4e h ALA 59 Cb 0.69 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1x4e h ALA 59 CO 0.00 1.22 0.25 0.00 0.00 0.00 0.00 179.25 180.73 1x4e h ALA 60 N 0.01 0.54 -0.83 0.00 0.00 -1.67 -2.49 119.26 114.82 1x4e h ALA 60 Ca -0.41 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 54.67 1x4e h ALA 60 Cb 1.96 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 19.51 1x4e h ALA 60 CO 0.06 -0.07 0.32 1.96 0.00 0.00 0.00 179.25 181.53 1x4e h GLN 61 N 0.51 0.38 -1.15 0.00 4.20 -1.74 0.15 115.11 117.47 1x4e h GLN 61 Ca 0.17 -0.02 0.35 0.00 0.06 0.00 0.00 58.65 59.20 1x4e h GLN 61 Cb 0.00 -0.09 -0.12 0.00 0.30 0.00 0.00 27.48 27.58 1x4e h GLN 61 CO -0.07 0.25 0.73 -0.22 -0.67 0.00 0.00 178.83 178.85 1x4e h LYS 62 N 0.39 0.24 0.24 1.46 3.64 -1.60 0.11 116.57 121.06 1x4e h LYS 62 Ca 0.49 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.84 1x4e h LYS 62 Cb 0.86 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1x4e h LYS 62 CO -0.49 0.16 -0.12 0.00 -2.27 0.00 0.00 179.45 176.73 1x4e h ALA 63 N 1.65 -0.34 -1.10 5.00 0.00 -0.80 -2.83 119.26 120.84 1x4e h ALA 63 Ca 0.71 -0.07 0.32 0.00 0.00 0.00 0.00 54.91 55.87 1x4e h ALA 63 Cb 1.99 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 19.79 1x4e h ALA 63 CO -0.40 -0.31 0.70 0.28 0.00 0.00 0.00 179.25 179.51 1x4e h VAL 64 N -1.03 0.39 -0.23 0.00 2.07 -1.12 0.92 116.25 117.25 1x4e h VAL 64 Ca -0.03 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 1x4e h VAL 64 Cb 0.25 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1x4e h VAL 64 CO 0.05 0.06 -0.07 0.74 0.02 0.00 0.00 177.57 178.37 1x4e h THR 65 N 0.32 1.29 0.07 2.57 2.02 -0.90 -2.64 112.91 115.64 1x4e h THR 65 Ca 0.68 -1.10 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 1x4e h THR 65 Cb 1.79 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 1x4e h THR 65 CO -0.38 0.34 -0.03 0.00 0.37 0.00 0.00 175.52 175.81 1x4e h ALA 66 N 0.74 -0.12 -0.96 6.16 0.00 -0.35 -3.32 119.26 121.41 1x4e h ALA 66 Ca 0.06 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.13 1x4e h ALA 66 Cb 0.55 0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.19 1x4e h ALA 66 CO 0.03 -0.11 -0.25 1.28 0.00 0.00 0.00 179.25 180.20 1x4e n LEU 67 N -4.11 -0.36 -0.27 0.00 4.77 0.29 1.00 117.00 118.31 1x4e n LEU 67 Ca -0.01 1.65 0.09 0.00 -0.03 0.00 0.00 56.01 57.70 1x4e n LEU 67 Cb 0.04 -0.49 0.23 0.00 -2.33 0.00 0.00 43.42 40.86 1x4e n LEU 67 CO 0.03 -1.58 0.92 0.11 -1.33 0.00 0.00 177.39 175.54 1x4e h LYS 68 N 0.00 0.22 0.00 3.23 1.57 -1.61 0.80 116.57 120.77 1x4e h LYS 68 Ca 0.45 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.17 1x4e h LYS 68 Cb 0.69 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1x4e h LYS 68 CO -0.98 0.14 -0.23 0.00 -0.57 0.00 0.00 179.45 177.81 1x4e h ALA 69 N 1.70 1.12 0.00 3.86 0.00 0.55 -2.68 119.26 123.82 1x4e h ALA 69 Ca 0.48 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1x4e h ALA 69 Cb 0.89 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1x4e h ALA 69 CO -0.60 0.29 -0.35 1.03 0.00 0.00 0.00 179.25 179.62 1x4e h SER 70 N 0.00 0.00 0.00 0.00 0.87 0.14 -3.46 113.55 111.09 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 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1x4e h SER 70 CO 0.03 0.35 0.00 0.61 -0.53 0.00 0.00 176.83 177.29 1x4e n GLY 71 N -0.35 1.55 3.43 5.77 0.00 -0.93 -5.10 105.19 109.55 1x4e n GLY 71 Ca -0.02 0.00 -0.31 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 2.64 -0.63 1.61 0.11 -1.20 -5.06 120.40 115.87 1x4e s VAL 72 Ca 0.00 -1.26 -0.28 0.00 -2.93 0.00 0.00 61.98 57.52 1x4e s VAL 72 Cb 0.00 -2.10 0.02 0.00 -1.53 0.00 0.00 36.38 32.77 1x4e s VAL 72 CO 0.00 0.33 1.36 -1.10 -3.33 0.00 0.00 175.10 172.36 1x4e s GLN 73 N -1.44 3.25 -0.10 1.54 -1.52 -1.26 -4.07 119.66 116.06 1x4e s GLN 73 Ca 0.14 0.20 0.01 0.00 -1.95 0.00 0.00 55.36 53.76 1x4e s GLN 73 Cb -0.10 -4.14 0.02 0.00 -0.22 0.00 0.00 33.01 28.56 1x4e s GLN 73 CO 0.05 -2.02 -0.12 0.00 -0.25 0.00 0.00 175.29 172.95 1x4e s ALA 74 N 5.99 1.43 0.31 6.09 0.00 -1.26 -0.48 121.76 133.83 1x4e s ALA 74 Ca 0.46 -0.57 0.03 0.00 0.00 0.00 0.00 51.96 51.89 1x4e s ALA 74 Cb -0.09 -0.77 -0.06 0.00 0.00 0.00 0.00 23.12 22.19 1x4e s ALA 74 CO 0.21 -0.14 0.06 1.14 0.00 0.00 0.00 175.76 177.04 1x4e s GLN 75 N 1.13 1.59 -0.07 0.00 -2.07 -0.87 -4.84 119.66 114.53 1x4e s GLN 75 Ca -0.05 -1.87 -0.04 0.00 -1.82 0.00 0.00 55.36 51.58 1x4e s GLN 75 Cb -0.14 -0.73 -0.12 0.00 -1.09 0.00 0.00 33.01 30.92 1x4e s GLN 75 CO -0.02 -0.21 2.94 -1.33 -1.32 0.00 0.00 175.29 175.36 1x4e n MET 76 N -0.63 1.74 -1.12 9.60 2.81 -1.26 -0.67 117.12 127.59 1x4e n MET 76 Ca -0.02 -0.90 0.13 0.00 -1.81 0.00 0.00 57.70 55.10 1x4e n MET 76 Cb 0.66 -1.70 -0.04 0.00 -0.71 0.00 0.00 33.22 31.43 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 1.87 -3.23 -0.26 3.04 0.00 -1.11 -4.77 120.51 116.05 1x4e n ALA 77 Ca 0.30 0.44 -0.30 0.00 0.00 0.00 0.00 53.44 53.89 1x4e n ALA 77 Cb 0.73 -1.13 0.29 0.00 0.00 0.00 0.00 19.45 19.34 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 -3.46 -4.58 -3.50 0.00 3.00 -1.26 -4.91 118.16 103.45 1x4e n LYS 78 Ca -0.02 -1.36 -0.42 0.00 -0.00 0.00 0.00 58.31 56.51 1x4e n LYS 78 Cb 0.62 -1.92 -0.07 0.00 0.00 0.00 0.00 35.03 33.67 1x4e n LYS 78 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1x4e s GLN 79 N -4.93 2.87 -0.68 1.64 -2.07 -1.26 -4.85 119.66 110.38 1x4e s GLN 79 Ca 0.66 -2.13 -0.16 0.00 -1.82 0.00 0.00 55.36 51.91 1x4e s GLN 79 Cb -0.13 -4.06 0.15 0.00 -1.09 0.00 0.00 33.01 27.88 1x4e s GLN 79 CO 0.56 -1.23 0.69 0.45 -1.32 0.00 0.00 175.29 174.44 1x4e s SER 80 N 2.18 6.40 0.11 12.60 0.15 -1.26 -4.98 113.70 128.91 1x4e s SER 80 Ca 0.11 -2.00 0.02 0.00 0.70 0.00 0.00 55.95 54.78 1x4e s SER 80 Cb -0.21 -2.25 -0.01 0.00 -1.71 0.00 0.00 66.02 61.84 1x4e s SER 80 CO -0.03 -0.86 0.11 0.61 1.20 0.00 0.00 173.24 174.27 1x4e n GLY 81 N 4.88 3.43 0.00 9.45 0.00 -1.26 -5.02 105.19 116.68 1x4e n GLY 81 Ca -0.01 -1.67 0.08 0.00 0.00 0.00 0.00 46.02 44.42 1x4e n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4e n PRO 82 N -0.21 0.33 -1.90 1.61 -0.04 -1.26 -4.67 135.00 128.86 1x4e n PRO 82 Ca 0.02 0.08 -0.34 0.00 -0.04 0.00 0.00 63.50 63.23 1x4e n PRO 82 Cb 0.20 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.13 1x4e n PRO 82 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x4e s SER 83 N -2.33 4.96 -0.22 3.54 0.01 -1.26 -4.73 113.70 113.67 1x4e s SER 83 Ca 0.18 0.29 -0.13 0.00 1.31 0.00 0.00 55.95 57.60 1x4e s SER 83 Cb 0.10 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.71 1x4e s SER 83 CO 0.21 -2.67 -0.31 -0.24 0.41 0.00 0.00 173.24 170.64 1x4e n SER 84 N 14.10 1.72 0.00 2.44 2.88 -1.26 -5.11 113.62 128.39 1x4e n SER 84 Ca 0.29 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 1x4e n SER 84 Cb 0.51 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 1x4e n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42