#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4e h SER 2 N 0.00 -1.80 -2.93 1.61 0.87 -2.05 -3.42 113.55 105.83 1x4e h SER 2 Ca 0.00 0.28 -0.55 0.00 -1.23 0.00 0.00 61.79 60.29 1x4e h SER 2 Cb 0.00 0.80 0.21 0.00 -0.44 0.00 0.00 62.40 62.97 1x4e h SER 2 CO 0.00 -0.32 -0.86 -1.54 -0.53 0.00 0.00 176.83 173.58 1x4e n SER 3 N -5.36 -2.87 0.00 6.23 3.41 -1.26 -4.76 113.62 109.02 1x4e n SER 3 Ca 0.01 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1x4e n SER 3 Cb 0.33 -1.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 1x4e n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4e n GLY 4 N 2.07 0.35 0.00 5.00 0.00 -1.26 -4.91 105.19 106.44 1x4e n GLY 4 Ca 0.06 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1x4e n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x4e n SER 5 N 0.00 0.00 -0.07 1.61 2.88 -1.26 -5.04 113.62 111.74 1x4e n SER 5 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1x4e n SER 5 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 1x4e n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x4e n SER 6 N 0.00 0.22 -4.74 -3.46 3.41 -1.26 -4.23 113.62 103.55 1x4e n SER 6 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1x4e n SER 6 Cb 0.00 1.25 -0.04 0.00 -0.26 0.00 0.00 64.21 65.15 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 -5.11 2.96 0.25 5.00 0.00 -1.26 -1.44 107.32 107.71 1x4e s GLY 7 Ca -0.09 0.76 0.11 0.00 0.00 0.00 0.00 44.72 45.51 1x4e s GLY 7 CO 0.81 1.52 -0.21 1.08 0.00 0.00 0.00 173.10 176.31 1x4e s LEU 8 N -0.65 2.53 -0.29 0.66 1.43 0.14 -2.48 118.68 120.02 1x4e s LEU 8 Ca 0.47 -0.97 -0.03 0.00 -1.03 0.00 0.00 54.13 52.56 1x4e s LEU 8 Cb -0.28 -1.09 0.10 0.00 0.03 0.00 0.00 46.19 44.94 1x4e s LEU 8 CO 0.35 0.05 0.12 -0.47 0.23 0.00 0.00 176.35 176.63 1x4e s TYR 9 N -2.25 0.66 -0.25 0.29 6.14 0.01 -2.15 117.35 119.80 1x4e s TYR 9 Ca 0.26 -1.07 -0.11 0.00 0.64 0.00 0.00 57.07 56.80 1x4e s TYR 9 Cb -0.06 -1.09 -0.05 0.00 0.42 0.00 0.00 41.96 41.18 1x4e s TYR 9 CO 0.13 -0.83 0.17 0.42 0.64 0.00 0.00 175.55 176.07 1x4e s ILE 10 N 1.98 5.30 0.41 3.14 1.09 -0.29 -2.44 121.20 130.39 1x4e s ILE 10 Ca 0.09 0.16 0.08 0.00 -1.10 0.00 0.00 60.65 59.88 1x4e s ILE 10 Cb -0.16 -3.49 -0.01 0.00 -1.06 0.00 0.00 42.46 37.74 1x4e s ILE 10 CO -0.33 0.31 0.47 -0.13 -0.10 0.00 0.00 174.94 175.16 1x4e s ARG 11 N 1.32 2.72 -0.42 2.79 0.52 -0.13 -0.14 118.95 125.61 1x4e s ARG 11 Ca 0.07 -1.35 -0.01 0.00 -0.52 0.00 0.00 55.73 53.93 1x4e s ARG 11 Cb -0.14 -2.59 0.00 0.00 0.52 0.00 0.00 34.95 32.73 1x4e s ARG 11 CO 0.07 -0.19 0.35 0.41 0.02 0.00 0.00 175.30 175.96 1x4e n GLY 12 N -1.68 0.25 0.00 -3.53 0.00 0.16 -4.24 105.19 96.15 1x4e n GLY 12 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.04 0.00 -4.80 0.99 4.77 -1.14 -5.02 117.00 109.75 1x4e n LEU 13 Ca -0.07 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.69 1x4e n LEU 13 Cb 0.55 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.59 1x4e n LEU 13 CO 0.21 -0.30 -0.19 -1.10 -1.33 0.00 0.00 177.39 174.68 1x4e s GLN 14 N -0.36 2.86 0.20 3.23 -1.52 -1.26 -4.83 119.66 117.98 1x4e s GLN 14 Ca 0.00 -1.08 0.21 0.00 -1.95 0.00 0.00 55.36 52.55 1x4e s GLN 14 Cb 0.00 -2.53 0.90 0.00 -0.22 0.00 0.00 33.01 31.16 1x4e s GLN 14 CO 0.00 0.40 1.65 -0.35 -0.25 0.00 0.00 175.29 176.75 1x4e n PRO 15 N -1.09 0.15 0.06 2.91 -0.04 -1.26 -2.46 135.00 133.27 1x4e n PRO 15 Ca -0.08 0.39 0.10 0.00 -0.04 0.00 0.00 63.50 63.87 1x4e n PRO 15 Cb 0.58 -1.79 -0.06 0.00 -0.04 0.00 0.00 33.50 32.18 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 -1.29 3.42 0.55 0.00 -1.26 -3.88 105.19 102.71 1x4e n GLY 16 Ca 0.02 -0.31 -0.57 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.58 0.16 -4.46 2.61 -1.04 -1.03 -4.96 114.28 102.98 1x4e n THR 17 Ca -0.03 -0.04 -0.20 0.00 -2.04 0.00 0.00 64.05 61.74 1x4e n THR 17 Cb 0.60 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.07 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 1.35 0.00 0.08 12.58 -2.24 -1.26 -4.78 114.28 120.00 1x4e n THR 18 Ca 0.19 -1.51 -0.12 0.00 -2.27 0.00 0.00 64.05 60.34 1x4e n THR 18 Cb 0.09 0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 68.59 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 0.79 -0.37 0.58 3.42 1.82 -1.92 -2.88 116.42 117.86 1x4e h ASP 19 Ca -0.26 0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 56.41 1x4e h ASP 19 Cb 0.80 0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.95 1x4e h ASP 19 CO 0.43 -0.19 -0.38 1.56 -1.61 0.00 0.00 179.24 179.05 1x4e h GLN 20 N -0.25 -0.88 -0.90 0.28 7.50 -1.97 -2.44 115.11 116.45 1x4e h GLN 20 Ca 0.03 0.06 0.37 0.00 0.50 0.00 0.00 58.65 59.61 1x4e h GLN 20 Cb 0.28 0.20 -0.16 0.00 0.05 0.00 0.00 27.48 27.85 1x4e h GLN 20 CO -0.09 -0.59 0.50 -3.47 -1.50 0.00 0.00 178.83 173.68 1x4e n ASP 21 N -5.51 0.30 -0.20 1.46 -0.08 -1.17 0.22 116.55 111.56 1x4e n ASP 21 Ca -0.12 1.44 -0.08 0.00 -1.51 0.00 0.00 54.79 54.52 1x4e n ASP 21 Cb 0.40 -0.70 0.02 0.00 2.34 0.00 0.00 41.12 43.18 1x4e n ASP 21 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1x4e h LEU 22 N 0.00 0.78 -0.93 -2.67 3.38 -1.22 -2.44 115.31 112.21 1x4e h LEU 22 Ca 0.75 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.62 1x4e h LEU 22 Cb 2.02 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 42.50 1x4e h LEU 22 CO -0.66 0.73 0.59 0.58 0.09 0.00 0.00 178.44 179.78 1x4e h VAL 23 N 0.78 1.06 0.00 1.22 2.07 0.27 -0.05 116.25 121.60 1x4e h VAL 23 Ca 0.19 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1x4e h VAL 23 Cb 0.19 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1x4e h VAL 23 CO -0.02 0.20 -0.11 0.11 0.02 0.00 0.00 177.57 177.77 1x4e h LYS 24 N 1.07 0.00 -0.45 1.57 1.57 -1.16 0.84 116.57 120.02 1x4e h LYS 24 Ca 0.40 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.19 1x4e h LYS 24 Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1x4e h LYS 24 CO -0.17 0.11 0.30 1.25 -0.57 0.00 0.00 179.45 180.36 1x4e h LEU 25 N 0.00 0.51 -3.16 2.94 5.85 -0.53 -3.27 115.31 117.66 1x4e h LEU 25 Ca -0.00 -0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.53 1x4e h LEU 25 Cb 0.59 -0.13 -0.32 0.00 0.37 0.00 0.00 40.66 41.17 1x4e h LEU 25 CO 0.01 0.37 -0.84 0.00 -0.34 0.00 0.00 178.44 177.65 1x4e h GLN 27 N 0.96 -0.66 0.00 0.00 4.15 0.66 -3.05 115.11 117.17 1x4e h GLN 27 Ca -0.31 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.16 1x4e h GLN 27 Cb 1.68 0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.52 1x4e h GLN 27 CO 0.00 -0.37 0.00 -0.35 -1.93 0.00 0.00 178.83 176.18 1x4e n PRO 28 N -5.25 0.49 -0.03 -2.39 -0.04 -1.26 -2.89 135.00 123.63 1x4e n PRO 28 Ca -0.10 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.16 1x4e n PRO 28 Cb 0.31 -1.35 -0.13 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 0.29 -0.01 0.54 -1.99 -1.90 -3.51 116.97 110.38 1x4e h TYR 29 Ca 0.00 -0.21 0.00 0.00 2.00 0.00 0.00 58.73 60.52 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 1.47 0.00 0.41 -0.00 0.00 0.00 178.16 180.04 1x4e n GLY 30 N 1.66 2.41 3.56 3.88 0.00 -1.14 -4.98 105.19 110.59 1x4e n GLY 30 Ca -0.25 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 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 1.98 3.66 -0.27 1.61 2.20 -1.26 -4.80 119.74 122.87 1x4e s LYS 31 Ca 0.00 -0.09 -0.12 0.00 -0.36 0.00 0.00 55.97 55.40 1x4e s LYS 31 Cb 0.00 -3.80 -0.05 0.00 -1.51 0.00 0.00 37.83 32.48 1x4e s LYS 31 CO 0.00 -0.63 0.24 0.42 -0.36 0.00 0.00 175.35 175.02 1x4e s ILE 32 N 2.43 5.28 -0.08 5.43 1.01 -1.26 -0.33 121.20 133.68 1x4e s ILE 32 Ca 0.20 0.30 -0.09 0.00 0.00 0.00 0.00 60.65 61.05 1x4e s ILE 32 Cb -0.15 -3.58 -0.06 0.00 0.01 0.00 0.00 42.46 38.68 1x4e s ILE 32 CO 0.13 0.25 0.33 0.58 0.00 0.00 0.00 174.94 176.23 1x4e h VAL 33 N 5.29 0.23 -2.42 2.92 2.07 -0.99 -3.46 116.25 119.90 1x4e h VAL 33 Ca -0.35 -1.00 -0.08 0.00 0.82 0.00 0.00 66.70 66.09 1x4e h VAL 33 Cb 1.18 0.42 -0.21 0.00 -1.52 0.00 0.00 31.29 31.16 1x4e h VAL 33 CO 0.60 0.07 -0.02 -0.55 0.02 0.00 0.00 177.57 177.69 1x4e s SER 34 N -5.41 -0.50 -0.10 0.57 0.15 -1.21 -5.03 113.70 102.15 1x4e s SER 34 Ca -0.05 0.69 0.01 0.00 0.70 0.00 0.00 55.95 57.29 1x4e s SER 34 Cb 0.00 0.69 -0.02 0.00 -1.71 0.00 0.00 66.02 64.98 1x4e s SER 34 CO 0.17 -0.42 -0.13 0.42 1.20 0.00 0.00 173.24 174.48 1x4e s THR 35 N -0.71 3.12 -0.31 6.45 -4.23 -1.26 -1.20 115.64 117.49 1x4e s THR 35 Ca -0.08 -0.66 0.01 0.00 -1.18 0.00 0.00 61.69 59.78 1x4e s THR 35 Cb -0.03 -2.28 0.10 0.00 1.34 0.00 0.00 72.50 71.63 1x4e s THR 35 CO 0.05 0.55 0.07 -0.75 -0.54 0.00 0.00 174.62 174.00 1x4e s LYS 36 N -0.05 1.07 -0.10 3.99 2.47 -0.19 -4.91 119.74 122.02 1x4e s LYS 36 Ca -0.02 -1.34 -0.28 0.00 -1.56 0.00 0.00 55.97 52.76 1x4e s LYS 36 Cb -0.14 -2.48 -0.02 0.00 -1.46 0.00 0.00 37.83 33.73 1x4e s LYS 36 CO 0.04 -0.93 0.93 0.00 0.16 0.00 0.00 175.35 175.55 1x4e s ALA 37 N 1.35 3.38 -0.08 3.13 0.00 -1.26 -0.33 121.76 127.94 1x4e s ALA 37 Ca 0.09 0.31 -0.30 0.00 0.00 0.00 0.00 51.96 52.06 1x4e s ALA 37 Cb -0.18 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1x4e s ALA 37 CO -0.17 -0.49 1.49 0.42 0.00 0.00 0.00 175.76 177.00 1x4e s ILE 38 N 1.73 3.81 0.14 0.00 -1.09 -0.81 -4.92 121.20 120.07 1x4e s ILE 38 Ca 0.46 1.03 0.09 0.00 -2.23 0.00 0.00 60.65 60.00 1x4e s ILE 38 Cb -0.18 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 1x4e s ILE 38 CO 0.19 -0.07 -0.22 -0.76 -1.23 0.00 0.00 174.94 172.84 1x4e s LEU 39 N 3.55 2.36 0.94 2.97 1.43 -1.26 -2.61 118.68 126.07 1x4e s LEU 39 Ca 0.66 -0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 52.87 1x4e s LEU 39 Cb -0.29 -0.97 0.15 0.00 0.03 0.00 0.00 46.19 45.11 1x4e s LEU 39 CO 0.24 0.06 1.09 -1.81 0.23 0.00 0.00 176.35 176.17 1x4e s ASP 40 N -2.27 3.00 -0.02 2.29 1.01 -1.26 -4.77 116.67 114.64 1x4e s ASP 40 Ca 0.13 1.67 0.04 0.00 0.71 0.00 0.00 52.55 55.10 1x4e s ASP 40 Cb -0.08 -2.31 -0.25 0.00 1.01 0.00 0.00 42.92 41.29 1x4e s ASP 40 CO 0.06 -2.96 0.75 0.50 0.21 0.00 0.00 175.17 173.72 1x4e h LYS 41 N -1.77 0.12 0.00 8.23 1.63 -2.00 -3.09 116.57 119.68 1x4e h LYS 41 Ca -0.50 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 59.10 1x4e h LYS 41 Cb 1.28 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.99 1x4e h LYS 41 CO 0.51 0.85 -0.41 2.41 -3.45 0.00 0.00 179.45 179.37 1x4e n THR 42 N -3.27 0.90 -0.04 1.00 -1.04 -1.26 -4.66 114.28 105.91 1x4e n THR 42 Ca -0.17 0.31 -0.15 0.00 -2.04 0.00 0.00 64.05 62.00 1x4e n THR 42 Cb 1.04 -2.05 -0.08 0.00 -1.82 0.00 0.00 70.33 67.41 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 -0.63 1.39 -3.29 12.58 1.35 -1.99 -3.47 112.91 118.85 1x4e h THR 43 Ca 0.00 -1.62 -0.34 0.00 -0.55 0.00 0.00 66.41 63.90 1x4e h THR 43 Cb 0.41 2.17 0.03 0.00 -1.73 0.00 0.00 68.15 69.02 1x4e h THR 43 CO 0.00 0.47 -0.48 -3.20 -0.25 0.00 0.00 175.52 172.07 1x4e n ASN 44 N -4.43 -5.22 -2.45 5.36 2.85 -1.17 -4.91 115.26 105.29 1x4e n ASN 44 Ca -0.08 -0.16 -0.33 0.00 -0.11 0.00 0.00 54.58 53.91 1x4e n ASN 44 Cb 0.48 -4.15 0.04 0.00 1.24 0.00 0.00 39.78 37.39 1x4e n ASN 44 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1x4e n LYS 45 N -3.16 3.03 -2.73 1.20 2.85 -1.26 -4.63 118.16 113.45 1x4e n LYS 45 Ca -0.13 -3.75 -0.04 0.00 -1.05 0.00 0.00 58.31 53.34 1x4e n LYS 45 Cb 0.62 -2.28 -0.04 0.00 -0.65 0.00 0.00 35.03 32.69 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 4.41 -0.58 0.00 0.00 1.57 -1.80 -3.38 116.57 116.79 1x4e h LYS 47 Ca -0.42 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1x4e h LYS 47 Cb 0.94 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1x4e h LYS 47 CO 0.01 -0.38 0.00 0.41 -0.57 0.00 0.00 179.45 178.91 1x4e n GLY 48 N -1.41 0.00 3.33 3.86 0.00 -1.26 -4.87 105.19 104.84 1x4e n GLY 48 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 -0.33 0.04 1.61 2.02 -1.26 -0.66 117.35 118.77 1x4e s TYR 49 Ca 0.00 0.52 0.03 0.00 -0.37 0.00 0.00 57.07 57.25 1x4e s TYR 49 Cb 0.00 0.20 -0.02 0.00 -0.40 0.00 0.00 41.96 41.74 1x4e s TYR 49 CO 0.00 -0.47 -0.10 0.20 -1.57 0.00 0.00 175.55 173.61 1x4e s GLY 50 N -1.33 0.59 -0.08 0.71 0.00 0.80 -1.93 107.32 106.08 1x4e s GLY 50 Ca -0.12 -0.72 -0.00 0.00 0.00 0.00 0.00 44.72 43.88 1x4e s GLY 50 CO 0.06 -0.73 -0.06 -0.12 0.00 0.00 0.00 173.10 172.24 1x4e s PHE 51 N -1.01 2.97 -0.13 1.90 2.19 0.55 -1.14 117.98 123.31 1x4e s PHE 51 Ca -0.04 -0.01 -0.04 0.00 0.33 0.00 0.00 56.93 57.18 1x4e s PHE 51 Cb -0.08 -1.75 0.05 0.00 -1.31 0.00 0.00 43.02 39.93 1x4e s PHE 51 CO 0.01 0.29 0.07 0.08 1.83 0.00 0.00 175.22 177.50 1x4e s VAL 52 N -0.66 -0.02 -0.09 3.12 1.01 -0.91 -1.03 120.40 121.83 1x4e s VAL 52 Ca 0.10 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.97 1x4e s VAL 52 Cb -0.11 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1x4e s VAL 52 CO 0.02 -0.12 0.21 -1.81 0.00 0.00 0.00 175.10 173.39 1x4e s ASP 53 N 2.12 6.49 0.34 3.32 1.11 -0.34 0.24 116.67 129.94 1x4e s ASP 53 Ca 0.03 0.58 0.08 0.00 0.18 0.00 0.00 52.55 53.42 1x4e s ASP 53 Cb -0.15 -2.11 -0.04 0.00 1.07 0.00 0.00 42.92 41.69 1x4e s ASP 53 CO -0.07 0.38 0.14 -0.36 1.18 0.00 0.00 175.17 176.44 1x4e s PHE 54 N -1.06 2.72 -1.01 4.23 0.40 -0.52 -0.44 117.98 122.30 1x4e s PHE 54 Ca 0.18 -0.37 0.19 0.00 -0.60 0.00 0.00 56.93 56.33 1x4e s PHE 54 Cb -0.13 -1.63 0.82 0.00 0.51 0.00 0.00 43.02 42.60 1x4e s PHE 54 CO 0.07 0.35 1.61 -0.40 0.70 0.00 0.00 175.22 177.55 1x4e n ASP 55 N -1.15 0.00 -3.69 1.36 5.75 0.55 -4.51 116.55 114.86 1x4e n ASP 55 Ca -0.03 0.48 -0.13 0.00 -0.01 0.00 0.00 54.79 55.10 1x4e n ASP 55 Cb 0.61 -0.49 -0.07 0.00 -1.03 0.00 0.00 41.12 40.14 1x4e n ASP 55 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1x4e s SER 56 N -2.99 -0.25 0.36 -1.12 1.04 -1.26 -5.05 113.70 104.43 1x4e s SER 56 Ca 0.10 0.01 0.15 0.00 0.48 0.00 0.00 55.95 56.69 1x4e s SER 56 Cb 0.13 0.40 0.68 0.00 0.10 0.00 0.00 66.02 67.33 1x4e s SER 56 CO 0.35 -0.61 1.77 1.55 0.98 0.00 0.00 173.24 177.27 1x4e h PRO 57 N 3.21 0.00 0.00 4.02 0.13 -1.87 -2.87 132.00 134.62 1x4e h PRO 57 Ca -0.31 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.62 1x4e h PRO 57 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1x4e h PRO 57 CO 0.43 0.41 -1.05 0.77 -0.23 0.00 0.00 178.00 178.34 1x4e h SER 58 N 0.00 0.00 1.41 1.44 0.02 -1.88 -3.21 113.55 111.33 1x4e h SER 58 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1x4e h SER 58 Cb 0.81 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 1x4e h SER 58 CO 0.05 0.89 -0.06 0.00 -1.14 0.00 0.00 176.83 176.57 1x4e h ALA 59 N 1.11 0.98 0.17 3.77 0.00 -1.86 -3.22 119.26 120.21 1x4e h ALA 59 Ca -0.06 -0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.56 1x4e h ALA 59 Cb 1.73 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 19.54 1x4e h ALA 59 CO 0.11 0.08 -0.99 0.00 0.00 0.00 0.00 179.25 178.44 1x4e h ALA 60 N 1.94 -0.11 -0.82 0.00 0.00 -1.54 -3.33 119.26 115.40 1x4e h ALA 60 Ca -0.00 -0.74 0.15 0.00 0.00 0.00 0.00 54.91 54.32 1x4e h ALA 60 Cb 0.79 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.60 1x4e h ALA 60 CO 0.01 0.46 0.38 1.96 0.00 0.00 0.00 179.25 182.06 1x4e h GLN 61 N -0.24 0.52 -1.43 0.00 4.20 -1.56 -0.07 115.11 116.53 1x4e h GLN 61 Ca -0.17 -0.03 0.46 0.00 0.06 0.00 0.00 58.65 58.97 1x4e h GLN 61 Cb 1.78 -0.12 -0.12 0.00 0.30 0.00 0.00 27.48 29.33 1x4e h GLN 61 CO 0.18 0.34 0.95 -0.22 -0.67 0.00 0.00 178.83 179.42 1x4e h LYS 62 N 0.54 0.05 0.15 1.46 3.64 -1.66 0.14 116.57 120.89 1x4e h LYS 62 Ca 0.45 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.82 1x4e h LYS 62 Cb 0.68 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1x4e h LYS 62 CO -0.39 0.04 -0.07 0.00 -2.27 0.00 0.00 179.45 176.75 1x4e h ALA 63 N 1.50 -0.21 -0.78 5.00 0.00 -1.20 -3.08 119.26 120.49 1x4e h ALA 63 Ca 0.84 -0.15 0.17 0.00 0.00 0.00 0.00 54.91 55.76 1x4e h ALA 63 Cb 2.80 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 20.56 1x4e h ALA 63 CO -0.35 -0.22 0.26 0.28 0.00 0.00 0.00 179.25 179.22 1x4e h VAL 64 N -1.00 0.55 -0.28 0.00 2.07 -0.85 0.76 116.25 117.51 1x4e h VAL 64 Ca -0.02 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.42 1x4e h VAL 64 Cb 0.38 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 1x4e h VAL 64 CO 0.03 0.06 0.05 0.74 0.02 0.00 0.00 177.57 178.48 1x4e h THR 65 N 0.35 0.86 0.11 2.57 2.02 -0.95 -1.56 112.91 116.32 1x4e h THR 65 Ca 0.45 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.57 1x4e h THR 65 Cb 0.76 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1x4e h THR 65 CO -0.48 0.03 -0.06 0.00 0.37 0.00 0.00 175.52 175.38 1x4e h ALA 66 N 1.21 -0.26 -0.77 6.16 0.00 -1.06 -3.26 119.26 121.28 1x4e h ALA 66 Ca 0.13 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.21 1x4e h ALA 66 Cb 0.14 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 17.84 1x4e h ALA 66 CO -0.17 -0.24 -0.01 1.28 0.00 0.00 0.00 179.25 180.10 1x4e n LEU 67 N -3.56 -0.11 0.09 0.00 4.77 0.25 0.65 117.00 119.09 1x4e n LEU 67 Ca -0.02 1.32 -0.13 0.00 -0.03 0.00 0.00 56.01 57.15 1x4e n LEU 67 Cb 0.06 -0.47 -0.06 0.00 -2.33 0.00 0.00 43.42 40.62 1x4e n LEU 67 CO 0.05 -1.33 0.62 0.11 -1.33 0.00 0.00 177.39 175.50 1x4e h LYS 68 N 0.00 -0.55 -0.07 3.23 1.57 -1.39 0.17 116.57 119.53 1x4e h LYS 68 Ca 0.46 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.30 1x4e h LYS 68 Cb 0.92 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 1x4e h LYS 68 CO -0.74 -0.36 0.09 0.00 -0.57 0.00 0.00 179.45 177.87 1x4e h ALA 69 N 0.03 1.61 0.00 3.86 0.00 0.18 0.01 119.26 124.95 1x4e h ALA 69 Ca 0.04 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1x4e h ALA 69 Cb 0.62 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1x4e h ALA 69 CO -0.26 -0.12 -0.43 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 0.21 -3.47 113.55 111.17 1x4e h SER 70 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 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 -0.00 0.43 0.00 0.61 -0.53 0.00 0.00 176.83 177.34 1x4e n GLY 71 N -0.05 1.88 3.19 5.77 0.00 -0.01 -5.10 105.19 110.87 1x4e n GLY 71 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 1.57 -0.59 1.61 0.11 -1.11 -5.06 120.40 114.94 1x4e s VAL 72 Ca 0.00 -0.82 -0.27 0.00 -2.93 0.00 0.00 61.98 57.96 1x4e s VAL 72 Cb 0.00 -1.32 -0.03 0.00 -1.53 0.00 0.00 36.38 33.50 1x4e s VAL 72 CO 0.00 0.45 1.91 -1.10 -3.33 0.00 0.00 175.10 173.02 1x4e s GLN 73 N -0.25 2.60 -0.11 1.54 -0.21 -1.26 -4.00 119.66 117.97 1x4e s GLN 73 Ca 0.02 0.70 0.00 0.00 0.02 0.00 0.00 55.36 56.11 1x4e s GLN 73 Cb -0.10 -4.40 0.02 0.00 1.00 0.00 0.00 33.01 29.54 1x4e s GLN 73 CO 0.01 -2.75 -0.09 0.00 -2.12 0.00 0.00 175.29 170.33 1x4e s ALA 74 N 9.28 1.42 0.24 6.09 0.00 -1.26 -0.96 121.76 136.57 1x4e s ALA 74 Ca 0.70 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 52.11 1x4e s ALA 74 Cb -0.13 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.04 1x4e s ALA 74 CO 0.22 -0.35 -0.02 1.14 0.00 0.00 0.00 175.76 176.74 1x4e s GLN 75 N 1.55 1.36 -0.61 0.00 -2.07 -1.02 -4.82 119.66 114.05 1x4e s GLN 75 Ca 0.03 -1.68 -0.06 0.00 -1.82 0.00 0.00 55.36 51.82 1x4e s GLN 75 Cb -0.13 -0.74 -0.15 0.00 -1.09 0.00 0.00 33.01 30.89 1x4e s GLN 75 CO -0.07 -0.05 2.83 -1.33 -1.32 0.00 0.00 175.29 175.35 1x4e n MET 76 N -0.44 2.25 -3.05 9.60 2.81 -1.26 -0.81 117.12 126.22 1x4e n MET 76 Ca -0.06 -1.30 -0.01 0.00 -1.81 0.00 0.00 57.70 54.53 1x4e n MET 76 Cb 0.63 -2.25 -0.00 0.00 -0.71 0.00 0.00 33.22 30.89 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 3.17 -1.84 -2.92 3.04 0.00 -1.03 -4.34 120.51 116.58 1x4e n ALA 77 Ca 0.48 0.27 -0.03 0.00 0.00 0.00 0.00 53.44 54.16 1x4e n ALA 77 Cb 0.49 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 1.83 -2.32 -2.98 0.00 4.01 -1.26 -4.98 118.16 112.46 1x4e n LYS 78 Ca -0.04 2.03 0.01 0.00 -0.51 0.00 0.00 58.31 59.81 1x4e n LYS 78 Cb 0.26 -3.87 -0.00 0.00 -0.51 0.00 0.00 35.03 30.90 1x4e n LYS 78 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 1x4e s GLN 79 N -1.58 0.50 -0.30 1.97 2.00 -1.26 -5.12 119.66 115.87 1x4e s GLN 79 Ca 0.05 -0.17 -0.02 0.00 -2.00 0.00 0.00 55.36 53.21 1x4e s GLN 79 Cb -0.01 0.06 0.10 0.00 0.80 0.00 0.00 33.01 33.96 1x4e s GLN 79 CO 0.55 -0.73 0.12 -1.12 -0.50 0.00 0.00 175.29 173.61 1x4e s SER 80 N 1.88 3.78 0.00 6.67 0.01 -1.26 -4.75 113.70 120.03 1x4e s SER 80 Ca 0.16 -1.47 0.00 0.00 1.31 0.00 0.00 55.95 55.94 1x4e s SER 80 Cb -0.00 -0.60 0.00 0.00 0.21 0.00 0.00 66.02 65.62 1x4e s SER 80 CO -0.11 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 173.73 1x4e n GLY 81 N 5.04 -0.29 3.77 3.44 0.00 -1.26 -5.16 105.19 110.74 1x4e n GLY 81 Ca -0.04 0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 3.31 0.04 1.61 0.04 -1.26 -4.99 135.00 133.74 1x4e s PRO 82 Ca 0.00 1.59 -0.24 0.00 0.04 0.00 0.00 61.00 62.38 1x4e s PRO 82 Cb 0.00 -2.00 -0.14 0.00 0.04 0.00 0.00 34.50 32.40 1x4e s PRO 82 CO 0.00 -0.88 1.35 0.77 0.04 0.00 0.00 177.00 178.28 1x4e h SER 83 N 1.08 -0.75 0.00 6.66 0.02 -2.05 -3.45 113.55 115.06 1x4e h SER 83 Ca -0.50 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1x4e h SER 83 Cb 1.26 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.99 1x4e h SER 83 CO 0.57 -0.53 0.00 -0.24 -1.14 0.00 0.00 176.83 175.49 1x4e n SER 84 N -4.40 0.00 0.00 3.07 2.88 -1.26 -5.34 113.62 108.57 1x4e n SER 84 Ca -0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1x4e n SER 84 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 1x4e n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42