#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 6.56 -0.14 1.61 0.15 -1.26 -5.01 113.70 115.61 1x4e s SER 2 Ca 0.00 -2.22 0.02 0.00 0.70 0.00 0.00 55.95 54.45 1x4e s SER 2 Cb 0.00 -2.27 0.02 0.00 -1.71 0.00 0.00 66.02 62.06 1x4e s SER 2 CO 0.00 -0.81 -0.19 -0.44 1.20 0.00 0.00 173.24 173.00 1x4e s SER 3 N 2.91 2.89 0.00 5.45 0.01 -1.26 -5.07 113.70 118.64 1x4e s SER 3 Ca 0.18 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.89 1x4e s SER 3 Cb -0.14 -1.33 0.00 0.00 0.21 0.00 0.00 66.02 64.77 1x4e s SER 3 CO -0.05 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.24 1x4e n GLY 4 N 4.33 2.43 0.00 3.44 0.00 -1.26 -5.15 105.19 108.98 1x4e n GLY 4 Ca -0.19 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.52 1.61 2.88 -1.26 -4.79 113.62 111.55 1x4e n SER 5 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 1x4e n SER 5 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.53 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 -2.11 2.20 -4.78 -3.46 3.41 -1.26 -4.14 113.62 103.49 1x4e n SER 6 Ca 0.00 -1.60 -0.39 0.00 -0.26 0.00 0.00 58.87 56.61 1x4e n SER 6 Cb 0.00 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 63.84 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 -0.99 2.83 0.24 5.00 0.00 -1.26 -0.05 107.32 113.09 1x4e s GLY 7 Ca 0.16 0.25 0.11 0.00 0.00 0.00 0.00 44.72 45.24 1x4e s GLY 7 CO 0.15 0.78 -0.20 1.08 0.00 0.00 0.00 173.10 174.92 1x4e s LEU 8 N -0.97 2.55 -0.30 0.66 1.43 0.15 -2.82 118.68 119.37 1x4e s LEU 8 Ca 0.34 -0.99 -0.04 0.00 -1.03 0.00 0.00 54.13 52.42 1x4e s LEU 8 Cb -0.22 -1.01 0.10 0.00 0.03 0.00 0.00 46.19 45.10 1x4e s LEU 8 CO 0.24 0.01 0.14 -0.47 0.23 0.00 0.00 176.35 176.49 1x4e s TYR 9 N -2.42 0.39 -0.28 0.29 6.14 0.17 -2.08 117.35 119.57 1x4e s TYR 9 Ca 0.26 -0.97 -0.10 0.00 0.64 0.00 0.00 57.07 56.90 1x4e s TYR 9 Cb -0.05 -0.92 -0.04 0.00 0.42 0.00 0.00 41.96 41.37 1x4e s TYR 9 CO 0.12 -0.83 0.17 0.42 0.64 0.00 0.00 175.55 176.07 1x4e s ILE 10 N 2.00 5.12 0.43 3.14 1.09 -0.22 -2.20 121.20 130.55 1x4e s ILE 10 Ca 0.10 0.09 0.03 0.00 -1.10 0.00 0.00 60.65 59.77 1x4e s ILE 10 Cb -0.17 -3.44 -0.00 0.00 -1.06 0.00 0.00 42.46 37.79 1x4e s ILE 10 CO -0.33 0.26 0.62 -0.13 -0.10 0.00 0.00 174.94 175.25 1x4e s ARG 11 N 1.73 3.01 -0.22 2.79 3.00 0.26 0.06 118.95 129.59 1x4e s ARG 11 Ca 0.07 -0.71 -0.01 0.00 0.00 0.00 0.00 55.73 55.08 1x4e s ARG 11 Cb -0.16 -2.64 -0.01 0.00 0.00 0.00 0.00 34.95 32.14 1x4e s ARG 11 CO 0.10 -0.22 0.20 0.41 0.00 0.00 0.00 175.30 175.78 1x4e n GLY 12 N -1.97 -0.07 0.00 -3.53 0.00 0.55 -4.20 105.19 95.98 1x4e n GLY 12 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.55 0.00 -4.65 0.99 4.77 -0.95 -5.00 117.00 110.61 1x4e n LEU 13 Ca -0.01 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.74 1x4e n LEU 13 Cb 0.51 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 1x4e n LEU 13 CO 0.14 0.00 -0.31 -1.10 -1.33 0.00 0.00 177.39 174.79 1x4e s GLN 14 N 1.53 2.28 0.54 3.23 -1.52 -1.26 -4.86 119.66 119.60 1x4e s GLN 14 Ca 0.00 -1.47 0.34 0.00 -1.95 0.00 0.00 55.36 52.28 1x4e s GLN 14 Cb 0.00 -2.14 1.40 0.00 -0.22 0.00 0.00 33.01 32.05 1x4e s GLN 14 CO 0.00 0.31 1.99 -1.00 -0.25 0.00 0.00 175.29 176.34 1x4e h PRO 15 N 1.84 0.00 -0.38 2.91 0.13 -1.83 -2.61 132.00 132.07 1x4e h PRO 15 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 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 0.61 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 1x4e n GLY 16 N -0.02 1.67 3.68 1.56 0.00 -1.26 -4.16 105.19 106.66 1x4e n GLY 16 Ca 0.01 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 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 1.46 0.49 -4.20 2.61 -1.04 -0.98 -4.99 114.28 107.63 1x4e n THR 17 Ca 0.19 -0.09 -0.24 0.00 -2.04 0.00 0.00 64.05 61.88 1x4e n THR 17 Cb 0.60 -2.12 -0.07 0.00 -1.82 0.00 0.00 70.33 66.91 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 3.27 2.83 0.20 12.58 -4.23 -1.26 -4.84 115.64 124.20 1x4e s THR 18 Ca 0.85 -1.80 -0.21 0.00 -1.18 0.00 0.00 61.69 59.35 1x4e s THR 18 Cb -0.50 -2.91 0.15 0.00 1.34 0.00 0.00 72.50 70.58 1x4e s THR 18 CO 0.40 -0.18 1.56 0.44 -0.54 0.00 0.00 174.62 176.30 1x4e h ASP 19 N 1.64 -1.51 -0.16 3.99 3.32 -1.94 -0.29 116.42 121.48 1x4e h ASP 19 Ca -0.43 0.29 0.04 0.00 0.02 0.00 0.00 57.03 56.95 1x4e h ASP 19 Cb 1.25 0.75 -0.07 0.00 0.22 0.00 0.00 39.33 41.48 1x4e h ASP 19 CO 0.65 -0.29 -0.43 1.56 -1.72 0.00 0.00 179.24 179.01 1x4e h GLN 20 N -0.06 -0.47 -0.93 3.56 4.20 -1.96 -0.30 115.11 119.16 1x4e h GLN 20 Ca 0.28 0.03 0.39 0.00 0.06 0.00 0.00 58.65 59.41 1x4e h GLN 20 Cb 0.56 0.11 -0.17 0.00 0.30 0.00 0.00 27.48 28.28 1x4e h GLN 20 CO -0.89 -0.31 0.50 -3.47 -0.67 0.00 0.00 178.83 173.99 1x4e n ASP 21 N -5.43 0.32 -0.24 1.46 2.03 -0.14 0.23 116.55 114.78 1x4e n ASP 21 Ca -0.04 1.54 -0.08 0.00 0.52 0.00 0.00 54.79 56.74 1x4e n ASP 21 Cb 0.36 -0.75 0.05 0.00 -0.72 0.00 0.00 41.12 40.06 1x4e n ASP 21 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1x4e h LEU 22 N 0.00 1.07 -0.70 -2.67 3.38 -0.81 -2.53 115.31 113.05 1x4e h LEU 22 Ca 0.79 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 58.53 1x4e h LEU 22 Cb 2.09 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 42.51 1x4e h LEU 22 CO -0.72 1.05 0.45 0.58 0.09 0.00 0.00 178.44 179.89 1x4e h VAL 23 N 1.04 1.12 0.00 1.22 2.07 0.31 -0.98 116.25 121.03 1x4e h VAL 23 Ca 0.21 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1x4e h VAL 23 Cb 0.43 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1x4e h VAL 23 CO 0.01 0.16 -0.01 0.11 0.02 0.00 0.00 177.57 177.87 1x4e h LYS 24 N 0.88 0.00 -1.01 1.57 6.56 -1.25 0.49 116.57 123.82 1x4e h LYS 24 Ca 0.27 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.87 1x4e h LYS 24 Cb -0.02 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.59 1x4e h LYS 24 CO -0.09 0.01 0.67 1.25 -2.06 0.00 0.00 179.45 179.22 1x4e h LEU 25 N 0.00 1.16 -3.00 2.94 5.85 -0.74 -3.27 115.31 118.25 1x4e h LEU 25 Ca -0.00 -0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.53 1x4e h LEU 25 Cb 0.50 -0.29 -0.35 0.00 0.37 0.00 0.00 40.66 40.89 1x4e h LEU 25 CO 0.00 0.84 -0.98 0.00 -0.34 0.00 0.00 178.44 177.96 1x4e h GLN 27 N 1.00 -0.86 0.00 0.00 4.15 -0.06 -2.85 115.11 116.49 1x4e h GLN 27 Ca -0.21 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.27 1x4e h GLN 27 Cb 1.81 0.19 0.00 0.00 0.21 0.00 0.00 27.48 29.69 1x4e h GLN 27 CO 0.09 -0.53 0.00 -0.35 -1.93 0.00 0.00 178.83 176.11 1x4e n PRO 28 N -5.40 0.49 -0.07 -2.39 -0.04 -1.26 -2.96 135.00 123.38 1x4e n PRO 28 Ca -0.12 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.14 1x4e n PRO 28 Cb 0.37 -1.41 -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 0.12 -0.80 0.54 -1.99 -1.87 -3.51 116.97 109.47 1x4e h TYR 29 Ca 0.00 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.64 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 1.41 0.00 0.41 -0.00 0.00 0.00 178.16 179.98 1x4e n GLY 30 N 1.56 2.05 3.62 3.88 0.00 -1.15 -4.98 105.19 110.16 1x4e n GLY 30 Ca -0.26 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 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 0.50 3.96 -0.26 1.61 2.20 -1.26 -4.73 119.74 121.75 1x4e s LYS 31 Ca 0.00 0.75 -0.10 0.00 -0.36 0.00 0.00 55.97 56.26 1x4e s LYS 31 Cb 0.00 -3.76 -0.05 0.00 -1.51 0.00 0.00 37.83 32.52 1x4e s LYS 31 CO 0.00 -0.84 0.16 0.42 -0.36 0.00 0.00 175.35 174.72 1x4e s ILE 32 N 3.37 5.12 -0.07 5.43 1.01 -1.26 -1.56 121.20 133.23 1x4e s ILE 32 Ca 0.39 0.10 -0.11 0.00 0.00 0.00 0.00 60.65 61.03 1x4e s ILE 32 Cb -0.13 -3.42 -0.07 0.00 0.01 0.00 0.00 42.46 38.85 1x4e s ILE 32 CO 0.15 0.29 0.40 0.58 0.00 0.00 0.00 174.94 176.37 1x4e h VAL 33 N 5.32 0.28 -2.78 2.92 2.07 -1.40 -3.47 116.25 119.20 1x4e h VAL 33 Ca -0.36 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.08 1x4e h VAL 33 Cb 1.18 0.51 -0.17 0.00 -1.52 0.00 0.00 31.29 31.29 1x4e h VAL 33 CO 0.58 0.09 -0.03 -0.55 0.02 0.00 0.00 177.57 177.67 1x4e s SER 34 N -5.39 -0.39 -0.03 0.57 0.15 -1.23 -5.04 113.70 102.34 1x4e s SER 34 Ca -0.06 0.19 0.07 0.00 0.70 0.00 0.00 55.95 56.84 1x4e s SER 34 Cb 0.00 0.45 -0.01 0.00 -1.71 0.00 0.00 66.02 64.75 1x4e s SER 34 CO 0.21 -0.65 -0.23 0.42 1.20 0.00 0.00 173.24 174.20 1x4e s THR 35 N -2.10 1.80 -0.31 6.45 -4.23 -1.26 -0.99 115.64 114.99 1x4e s THR 35 Ca -0.07 -0.96 -0.01 0.00 -1.18 0.00 0.00 61.69 59.47 1x4e s THR 35 Cb -0.01 -1.50 0.10 0.00 1.34 0.00 0.00 72.50 72.43 1x4e s THR 35 CO 0.01 0.51 0.10 -0.75 -0.54 0.00 0.00 174.62 173.95 1x4e s LYS 36 N -0.42 0.71 -0.04 3.99 2.47 -0.41 -4.89 119.74 121.17 1x4e s LYS 36 Ca 0.05 -1.09 -0.30 0.00 -1.56 0.00 0.00 55.97 53.07 1x4e s LYS 36 Cb -0.10 -1.97 -0.03 0.00 -1.46 0.00 0.00 37.83 34.27 1x4e s LYS 36 CO 0.00 -1.00 1.16 0.00 0.16 0.00 0.00 175.35 175.67 1x4e s ALA 37 N 1.58 3.44 -0.13 3.13 0.00 -1.26 -0.72 121.76 127.80 1x4e s ALA 37 Ca 0.10 0.63 -0.29 0.00 0.00 0.00 0.00 51.96 52.39 1x4e s ALA 37 Cb -0.18 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 1x4e s ALA 37 CO -0.24 -0.64 1.42 0.42 0.00 0.00 0.00 175.76 176.71 1x4e s ILE 38 N 1.89 4.01 0.12 0.00 -1.09 -0.13 -4.90 121.20 121.10 1x4e s ILE 38 Ca 0.55 1.21 0.09 0.00 -2.23 0.00 0.00 60.65 60.27 1x4e s ILE 38 Cb -0.24 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 1x4e s ILE 38 CO 0.23 -0.12 -0.23 -0.76 -1.23 0.00 0.00 174.94 172.83 1x4e s LEU 39 N 3.78 2.31 0.98 2.97 1.43 -1.26 -1.11 118.68 127.77 1x4e s LEU 39 Ca 0.62 -0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 52.90 1x4e s LEU 39 Cb -0.26 -1.01 0.18 0.00 0.03 0.00 0.00 46.19 45.13 1x4e s LEU 39 CO 0.21 0.10 1.11 -1.81 0.23 0.00 0.00 176.35 176.19 1x4e s ASP 40 N -1.99 2.46 -0.04 2.29 1.01 -1.26 -4.70 116.67 114.44 1x4e s ASP 40 Ca 0.10 1.99 0.11 0.00 0.71 0.00 0.00 52.55 55.46 1x4e s ASP 40 Cb -0.10 -2.49 -0.23 0.00 1.01 0.00 0.00 42.92 41.10 1x4e s ASP 40 CO 0.05 -3.36 0.66 0.50 0.21 0.00 0.00 175.17 173.23 1x4e h LYS 41 N -2.05 0.02 0.00 8.23 3.64 -2.00 -2.73 116.57 121.68 1x4e h LYS 41 Ca -0.48 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 58.67 1x4e h LYS 41 Cb 1.28 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.09 1x4e h LYS 41 CO 0.44 0.56 -1.19 2.41 -2.27 0.00 0.00 179.45 179.40 1x4e n THR 42 N -3.08 1.51 -0.03 1.00 -1.04 -1.26 -4.65 114.28 106.71 1x4e n THR 42 Ca -0.17 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.63 1x4e n THR 42 Cb 1.05 -2.12 -0.13 0.00 -1.82 0.00 0.00 70.33 67.31 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 0.84 -2.97 12.58 1.35 -1.98 -3.48 112.91 118.25 1x4e h THR 43 Ca -0.29 -2.29 -0.27 0.00 -0.55 0.00 0.00 66.41 63.00 1x4e h THR 43 Cb 1.14 2.46 0.03 0.00 -1.73 0.00 0.00 68.15 70.05 1x4e h THR 43 CO -0.18 0.63 -0.40 0.59 -0.25 0.00 0.00 175.52 175.92 1x4e n ASN 44 N -3.95 -4.56 -2.84 5.36 3.02 -1.03 -4.90 115.26 106.36 1x4e n ASN 44 Ca -0.30 -0.16 -0.35 0.00 -0.03 0.00 0.00 54.58 53.73 1x4e n ASN 44 Cb 0.87 -3.48 0.02 0.00 -0.61 0.00 0.00 39.78 36.59 1x4e n ASN 44 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1x4e n LYS 45 N -2.85 3.22 -2.72 3.52 5.02 -1.26 -4.60 118.16 118.50 1x4e n LYS 45 Ca -0.09 -4.01 -0.04 0.00 -2.02 0.00 0.00 58.31 52.15 1x4e n LYS 45 Cb 0.59 -2.28 -0.03 0.00 -0.02 0.00 0.00 35.03 33.28 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 4.22 0.00 0.00 0.00 1.57 -1.40 -3.43 116.57 117.53 1x4e h LYS 47 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1x4e h LYS 47 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1x4e h LYS 47 CO 0.02 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.31 1x4e n GLY 48 N -1.25 1.48 3.04 3.86 0.00 -1.26 -4.97 105.19 106.10 1x4e n GLY 48 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 0.65 0.05 1.61 2.02 -1.26 0.20 117.35 118.62 1x4e s TYR 49 Ca 0.00 -0.40 0.05 0.00 -0.37 0.00 0.00 57.07 56.35 1x4e s TYR 49 Cb 0.00 -0.39 -0.02 0.00 -0.40 0.00 0.00 41.96 41.14 1x4e s TYR 49 CO 0.00 -0.06 -0.14 0.20 -1.57 0.00 0.00 175.55 173.98 1x4e s GLY 50 N -1.23 0.80 -0.06 0.71 0.00 0.11 -0.95 107.32 106.70 1x4e s GLY 50 Ca -0.07 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.78 1x4e s GLY 50 CO 0.00 -0.87 -0.04 -0.12 0.00 0.00 0.00 173.10 172.07 1x4e s PHE 51 N -0.99 3.01 -0.16 1.90 2.19 0.10 -1.06 117.98 122.97 1x4e s PHE 51 Ca 0.00 0.07 -0.04 0.00 0.33 0.00 0.00 56.93 57.29 1x4e s PHE 51 Cb -0.09 -1.72 0.07 0.00 -1.31 0.00 0.00 43.02 39.98 1x4e s PHE 51 CO 0.02 0.39 0.16 0.08 1.83 0.00 0.00 175.22 177.69 1x4e s VAL 52 N -0.88 -0.22 0.01 3.12 1.01 -0.88 -1.28 120.40 121.28 1x4e s VAL 52 Ca 0.14 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 1x4e s VAL 52 Cb -0.11 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 1x4e s VAL 52 CO 0.03 -0.16 0.29 -1.81 0.00 0.00 0.00 175.10 173.45 1x4e s ASP 53 N 2.25 6.53 0.32 3.32 1.01 -0.16 0.29 116.67 130.23 1x4e s ASP 53 Ca 0.04 0.61 0.10 0.00 0.71 0.00 0.00 52.55 54.01 1x4e s ASP 53 Cb -0.15 -2.11 -0.06 0.00 1.01 0.00 0.00 42.92 41.61 1x4e s ASP 53 CO -0.10 0.25 -0.12 -0.36 0.21 0.00 0.00 175.17 175.05 1x4e s PHE 54 N -1.30 2.34 -0.07 4.23 0.40 0.93 -1.14 117.98 123.37 1x4e s PHE 54 Ca 0.28 -0.47 0.31 0.00 -0.60 0.00 0.00 56.93 56.45 1x4e s PHE 54 Cb -0.13 -1.26 1.24 0.00 0.51 0.00 0.00 43.02 43.37 1x4e s PHE 54 CO 0.16 0.60 1.90 0.38 0.70 0.00 0.00 175.22 178.96 1x4e h ASP 55 N 2.11 0.00 -5.00 1.36 2.03 -1.62 -3.43 116.42 111.87 1x4e h ASP 55 Ca -0.41 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 55.77 1x4e h ASP 55 Cb 1.25 0.00 -0.20 0.00 -0.83 0.00 0.00 39.33 39.55 1x4e h ASP 55 CO 0.68 0.00 -0.30 -0.44 -1.03 0.00 0.00 179.24 178.14 1x4e s SER 56 N -5.33 -0.15 0.26 4.15 0.01 -1.26 -5.05 113.70 106.33 1x4e s SER 56 Ca 0.02 0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.33 1x4e s SER 56 Cb 0.09 0.30 0.33 0.00 0.21 0.00 0.00 66.02 66.95 1x4e s SER 56 CO 0.51 -0.45 1.63 1.55 0.41 0.00 0.00 173.24 176.89 1x4e h PRO 57 N 3.85 0.35 0.00 12.44 0.13 -1.86 -2.76 132.00 144.15 1x4e h PRO 57 Ca -0.30 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1x4e h PRO 57 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1x4e h PRO 57 CO 0.41 0.74 0.00 1.03 -0.23 0.00 0.00 178.00 179.95 1x4e h SER 58 N 0.29 0.00 0.08 1.44 0.87 -1.97 -2.80 113.55 111.47 1x4e h SER 58 Ca 0.02 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.29 1x4e h SER 58 Cb 0.91 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.85 1x4e h SER 58 CO 0.08 0.00 -1.58 0.00 -0.53 0.00 0.00 176.83 174.80 1x4e h ALA 59 N 2.05 0.30 -0.65 6.23 0.00 -1.88 -3.36 119.26 121.95 1x4e h ALA 59 Ca 0.00 -1.24 0.09 0.00 0.00 0.00 0.00 54.91 53.76 1x4e h ALA 59 Cb 0.25 0.65 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 1x4e h ALA 59 CO 0.00 0.97 0.30 0.00 0.00 0.00 0.00 179.25 180.52 1x4e h ALA 60 N -0.14 0.88 -0.59 0.00 0.00 -1.33 -1.97 119.26 116.10 1x4e h ALA 60 Ca -0.36 0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.72 1x4e h ALA 60 Cb 1.72 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.40 1x4e h ALA 60 CO -0.01 -0.09 0.09 1.96 0.00 0.00 0.00 179.25 181.19 1x4e h GLN 61 N 0.53 0.21 -0.99 0.00 4.20 -1.68 -0.76 115.11 116.61 1x4e h GLN 61 Ca 0.32 -0.01 0.37 0.00 0.06 0.00 0.00 58.65 59.39 1x4e h GLN 61 Cb 0.34 -0.05 -0.18 0.00 0.30 0.00 0.00 27.48 27.90 1x4e h GLN 61 CO -0.27 0.14 0.41 -0.22 -0.67 0.00 0.00 178.83 178.22 1x4e h LYS 62 N 0.21 0.04 0.42 1.46 3.64 -1.50 0.21 116.57 121.05 1x4e h LYS 62 Ca 0.31 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 1x4e h LYS 62 Cb 0.47 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1x4e h LYS 62 CO -0.43 0.03 -0.20 0.00 -2.27 0.00 0.00 179.45 176.58 1x4e h ALA 63 N 1.98 -0.57 -0.78 5.00 0.00 -1.22 -2.81 119.26 120.86 1x4e h ALA 63 Ca 0.77 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 55.68 1x4e h ALA 63 Cb 1.91 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 19.80 1x4e h ALA 63 CO -0.79 -0.59 0.22 0.28 0.00 0.00 0.00 179.25 178.37 1x4e h VAL 64 N -1.04 0.50 0.20 0.00 2.07 -0.76 0.65 116.25 117.88 1x4e h VAL 64 Ca -0.06 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.37 1x4e h VAL 64 Cb 0.54 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1x4e h VAL 64 CO 0.10 0.05 -0.26 0.74 0.02 0.00 0.00 177.57 178.22 1x4e h THR 65 N 0.30 0.44 0.26 2.57 2.02 -0.76 -1.56 112.91 116.19 1x4e h THR 65 Ca 0.45 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.62 1x4e h THR 65 Cb 0.79 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1x4e h THR 65 CO -0.52 0.00 -0.13 0.00 0.37 0.00 0.00 175.52 175.24 1x4e h ALA 66 N 0.16 -0.62 -0.73 6.16 0.00 -1.01 -3.25 119.26 119.98 1x4e h ALA 66 Ca 0.01 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.96 1x4e h ALA 66 Cb 0.50 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 18.31 1x4e h ALA 66 CO -0.10 -0.59 -0.25 1.28 0.00 0.00 0.00 179.25 179.59 1x4e n LEU 67 N -3.61 -0.41 -0.21 0.00 4.77 0.22 0.99 117.00 118.76 1x4e n LEU 67 Ca -0.04 1.27 -0.04 0.00 -0.03 0.00 0.00 56.01 57.17 1x4e n LEU 67 Cb 0.14 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 40.93 1x4e n LEU 67 CO 0.11 -1.17 0.65 0.11 -1.33 0.00 0.00 177.39 175.76 1x4e h LYS 68 N 0.00 -0.12 0.00 3.23 1.57 -1.36 0.80 116.57 120.68 1x4e h LYS 68 Ca 0.29 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1x4e h LYS 68 Cb 0.47 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1x4e h LYS 68 CO -0.74 -0.08 -0.04 0.00 -0.57 0.00 0.00 179.45 178.02 1x4e h ALA 69 N 1.16 1.35 0.00 3.86 0.00 0.61 -0.79 119.26 125.45 1x4e h ALA 69 Ca 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1x4e h ALA 69 Cb 0.54 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1x4e h ALA 69 CO -0.69 0.05 -0.03 1.03 0.00 0.00 0.00 179.25 179.61 1x4e h SER 70 N 0.00 0.00 0.00 0.00 0.87 0.15 -3.46 113.55 111.11 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 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1x4e h SER 70 CO 0.01 0.03 0.00 0.61 -0.53 0.00 0.00 176.83 176.95 1x4e n GLY 71 N 0.02 1.12 3.55 5.77 0.00 -0.30 -5.10 105.19 110.25 1x4e n GLY 71 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 3.26 -0.64 1.61 0.11 -1.19 -5.06 120.40 116.50 1x4e s VAL 72 Ca 0.00 -1.17 -0.27 0.00 -2.93 0.00 0.00 61.98 57.61 1x4e s VAL 72 Cb 0.00 -2.47 0.03 0.00 -1.53 0.00 0.00 36.38 32.41 1x4e s VAL 72 CO 0.00 0.22 1.20 -1.10 -3.33 0.00 0.00 175.10 172.08 1x4e s GLN 73 N -1.87 3.37 -0.03 1.54 -0.21 -1.26 -4.01 119.66 117.19 1x4e s GLN 73 Ca 0.19 0.00 0.05 0.00 0.02 0.00 0.00 55.36 55.62 1x4e s GLN 73 Cb -0.11 -4.08 -0.01 0.00 1.00 0.00 0.00 33.01 29.81 1x4e s GLN 73 CO 0.10 -1.83 -0.18 0.00 -2.12 0.00 0.00 175.29 171.26 1x4e s ALA 74 N 5.12 1.55 0.20 6.09 0.00 -1.26 -0.57 121.76 132.89 1x4e s ALA 74 Ca 0.38 -0.76 -0.06 0.00 0.00 0.00 0.00 51.96 51.52 1x4e s ALA 74 Cb -0.08 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 1x4e s ALA 74 CO 0.21 0.34 0.27 1.14 0.00 0.00 0.00 175.76 177.71 1x4e s GLN 75 N -0.25 1.28 -0.07 0.00 -2.07 -0.94 -4.91 119.66 112.71 1x4e s GLN 75 Ca 0.03 -1.41 -0.05 0.00 -1.82 0.00 0.00 55.36 52.11 1x4e s GLN 75 Cb -0.09 0.35 -0.18 0.00 -1.09 0.00 0.00 33.01 32.01 1x4e s GLN 75 CO 0.00 -0.47 3.26 -1.33 -1.32 0.00 0.00 175.29 175.43 1x4e n MET 76 N -0.28 1.92 -3.10 9.60 2.81 -1.26 -0.65 117.12 126.15 1x4e n MET 76 Ca -0.01 -1.07 -0.00 0.00 -1.81 0.00 0.00 57.70 54.81 1x4e n MET 76 Cb 0.64 -1.88 -0.00 0.00 -0.71 0.00 0.00 33.22 31.27 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 2.09 -1.85 -2.86 3.04 0.00 -1.13 -4.76 120.51 115.04 1x4e n ALA 77 Ca 0.38 0.13 -0.35 0.00 0.00 0.00 0.00 53.44 53.59 1x4e n ALA 77 Cb 0.81 -0.69 -0.06 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.72 3.36 -0.18 0.00 2.20 -1.26 -4.97 119.74 118.17 1x4e s LYS 78 Ca -0.01 -0.27 0.07 0.00 -0.36 0.00 0.00 55.97 55.40 1x4e s LYS 78 Cb 0.00 -3.08 0.22 0.00 -1.51 0.00 0.00 37.83 33.46 1x4e s LYS 78 CO 0.08 0.72 1.07 0.00 -0.36 0.00 0.00 175.35 176.86 1x4e n GLN 79 N 1.50 0.74 -4.00 4.03 10.64 -1.26 -5.15 117.38 123.88 1x4e n GLN 79 Ca -0.16 -0.66 -0.08 0.00 -1.83 0.00 0.00 57.00 54.27 1x4e n GLN 79 Cb 0.54 0.23 -0.10 0.00 -0.86 0.00 0.00 30.24 30.04 1x4e n GLN 79 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1x4e s SER 80 N -0.61 0.30 0.26 2.61 0.15 -1.26 -5.17 113.70 109.98 1x4e s SER 80 Ca 0.05 -0.65 0.01 0.00 0.70 0.00 0.00 55.95 56.07 1x4e s SER 80 Cb 0.24 0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.65 1x4e s SER 80 CO -0.07 -0.41 0.13 -0.83 1.20 0.00 0.00 173.24 173.25 1x4e s GLY 81 N -1.96 1.78 0.59 9.45 0.00 -1.26 -5.15 107.32 110.76 1x4e s GLY 81 Ca -0.08 -1.80 -0.18 0.00 0.00 0.00 0.00 44.72 42.66 1x4e s GLY 81 CO -0.04 -1.55 1.12 2.56 0.00 0.00 0.00 173.10 175.19 1x4e s PRO 82 N -3.99 3.15 0.13 2.90 0.04 -1.26 -4.99 135.00 130.99 1x4e s PRO 82 Ca 0.37 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1x4e s PRO 82 Cb 0.07 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1x4e s PRO 82 CO 0.15 -0.99 0.00 0.43 0.04 0.00 0.00 177.00 176.62 1x4e n SER 83 N -1.71 0.58 -2.62 6.66 7.64 -1.26 -5.12 113.62 117.79 1x4e n SER 83 Ca 0.11 0.20 -0.03 0.00 1.01 0.00 0.00 58.87 60.16 1x4e n SER 83 Cb 0.51 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.60 1x4e n SER 83 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x4e n SER 84 N -3.37 -3.56 -0.94 6.43 2.88 -1.26 -5.39 113.62 108.41 1x4e n SER 84 Ca 0.00 1.36 0.12 0.00 -1.33 0.00 0.00 58.87 59.02 1x4e n SER 84 Cb 0.07 -5.22 0.12 0.00 -0.75 0.00 0.00 64.21 58.43 1x4e n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42