#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 0.22 -4.55 1.61 7.64 -1.26 -4.99 113.62 112.29 1x4e n SER 2 Ca 0.00 0.99 -0.31 0.00 1.01 0.00 0.00 58.87 60.56 1x4e n SER 2 Cb 0.00 -1.23 -0.11 0.00 -1.01 0.00 0.00 64.21 61.86 1x4e n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4e s SER 3 N -0.84 4.30 0.00 6.43 0.01 -1.26 -5.04 113.70 117.30 1x4e s SER 3 Ca 0.63 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.56 1x4e s SER 3 Cb -0.60 -0.84 0.00 0.00 0.21 0.00 0.00 66.02 64.79 1x4e s SER 3 CO 0.57 0.23 0.00 0.61 0.41 0.00 0.00 173.24 175.06 1x4e n GLY 4 N 1.18 -0.41 3.61 3.44 0.00 -1.26 -5.03 105.19 106.72 1x4e n GLY 4 Ca -0.15 -2.16 -0.03 0.00 0.00 0.00 0.00 46.02 43.68 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 -4.00 -0.16 -0.01 1.61 0.01 -1.26 -5.04 113.70 104.85 1x4e s SER 5 Ca 0.00 -0.10 0.19 0.00 1.31 0.00 0.00 55.95 57.35 1x4e s SER 5 Cb 0.00 0.24 -0.22 0.00 0.21 0.00 0.00 66.02 66.25 1x4e s SER 5 CO 0.00 -0.42 0.73 -1.54 0.41 0.00 0.00 173.24 172.42 1x4e n SER 6 N -0.29 0.83 -4.74 2.44 3.41 -1.26 -4.29 113.62 109.72 1x4e n SER 6 Ca -0.05 -0.77 -0.41 0.00 -0.26 0.00 0.00 58.87 57.39 1x4e n SER 6 Cb 0.61 1.17 -0.05 0.00 -0.26 0.00 0.00 64.21 65.67 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 3.01 0.28 5.00 0.00 -1.26 -0.86 107.32 110.43 1x4e s GLY 7 Ca 0.04 0.55 0.12 0.00 0.00 0.00 0.00 44.72 45.43 1x4e s GLY 7 CO 0.78 1.33 -0.20 1.08 0.00 0.00 0.00 173.10 176.09 1x4e s LEU 8 N -0.35 2.59 -0.27 0.66 1.43 0.15 -2.83 118.68 120.06 1x4e s LEU 8 Ca 0.44 -1.03 -0.04 0.00 -1.03 0.00 0.00 54.13 52.47 1x4e s LEU 8 Cb -0.24 -1.07 0.09 0.00 0.03 0.00 0.00 46.19 45.00 1x4e s LEU 8 CO 0.30 0.02 0.12 -0.47 0.23 0.00 0.00 176.35 176.55 1x4e s TYR 9 N -2.54 0.31 -0.28 0.29 5.04 0.18 -2.14 117.35 118.22 1x4e s TYR 9 Ca 0.30 -0.80 -0.10 0.00 -2.44 0.00 0.00 57.07 54.02 1x4e s TYR 9 Cb -0.05 -0.88 -0.04 0.00 0.35 0.00 0.00 41.96 41.35 1x4e s TYR 9 CO 0.15 -0.78 0.16 0.42 -1.34 0.00 0.00 175.55 174.16 1x4e s ILE 10 N 2.10 5.03 0.37 3.14 1.09 -0.27 -1.97 121.20 130.68 1x4e s ILE 10 Ca 0.08 0.04 0.06 0.00 -1.10 0.00 0.00 60.65 59.73 1x4e s ILE 10 Cb -0.16 -3.41 -0.00 0.00 -1.06 0.00 0.00 42.46 37.83 1x4e s ILE 10 CO -0.33 0.25 0.52 -0.13 -0.10 0.00 0.00 174.94 175.15 1x4e s ARG 11 N 1.72 3.05 -0.18 2.79 0.52 0.56 -0.09 118.95 127.32 1x4e s ARG 11 Ca 0.07 -0.99 -0.00 0.00 -0.52 0.00 0.00 55.73 54.29 1x4e s ARG 11 Cb -0.16 -2.78 0.00 0.00 0.52 0.00 0.00 34.95 32.54 1x4e s ARG 11 CO 0.09 -0.05 0.15 0.41 0.02 0.00 0.00 175.30 175.92 1x4e n GLY 12 N -1.74 0.34 0.00 -3.53 0.00 0.25 -4.13 105.19 96.38 1x4e n GLY 12 Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.45 0.00 -4.89 0.99 4.77 -0.85 -5.02 117.00 110.55 1x4e n LEU 13 Ca -0.04 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.64 1x4e n LEU 13 Cb 0.52 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 1x4e n LEU 13 CO 0.09 -0.38 0.32 -1.10 -1.33 0.00 0.00 177.39 174.99 1x4e s GLN 14 N -1.94 3.73 0.00 3.23 -0.21 -1.26 -4.78 119.66 118.44 1x4e s GLN 14 Ca 0.00 0.27 0.12 0.00 0.02 0.00 0.00 55.36 55.77 1x4e s GLN 14 Cb 0.00 -2.53 0.73 0.00 1.00 0.00 0.00 33.01 32.21 1x4e s GLN 14 CO 0.00 0.12 1.15 -0.35 -2.12 0.00 0.00 175.29 174.09 1x4e n PRO 15 N -0.97 0.49 -0.84 2.91 -0.04 -1.26 -2.45 135.00 132.85 1x4e n PRO 15 Ca 0.01 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1x4e n PRO 15 Cb 0.54 -1.39 0.05 0.00 -0.04 0.00 0.00 33.50 32.66 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 1.85 3.68 0.55 0.00 -1.26 -3.73 105.19 106.26 1x4e n GLY 16 Ca 0.09 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.79 3.66 0.39 2.61 2.01 -1.02 -5.01 115.64 117.49 1x4e s THR 17 Ca 0.22 0.96 0.04 0.00 0.31 0.00 0.00 61.69 63.22 1x4e s THR 17 Cb 0.23 -3.62 0.07 0.00 0.01 0.00 0.00 72.50 69.19 1x4e s THR 17 CO -0.07 -0.04 0.54 0.35 -0.69 0.00 0.00 174.62 174.71 1x4e n THR 18 N 5.01 0.00 0.33 -0.82 -2.24 -1.26 -4.90 114.28 110.40 1x4e n THR 18 Ca 0.15 -1.15 -0.13 0.00 -2.27 0.00 0.00 64.05 60.65 1x4e n THR 18 Cb 0.43 -0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 67.79 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 -0.07 -0.73 -0.97 3.42 3.58 -1.95 -3.07 116.42 116.64 1x4e h ASP 19 Ca -0.18 0.03 0.30 0.00 0.42 0.00 0.00 57.03 57.59 1x4e h ASP 19 Cb 0.78 0.19 -0.15 0.00 1.72 0.00 0.00 39.33 41.87 1x4e h ASP 19 CO 0.24 -0.43 0.45 1.56 -2.88 0.00 0.00 179.24 178.18 1x4e h GLN 20 N -1.05 0.26 -0.99 0.28 7.50 -1.97 0.65 115.11 119.80 1x4e h GLN 20 Ca -0.09 -0.02 0.11 0.00 0.50 0.00 0.00 58.65 59.16 1x4e h GLN 20 Cb 0.66 -0.06 -0.08 0.00 0.05 0.00 0.00 27.48 28.05 1x4e h GLN 20 CO 0.14 0.18 0.63 0.22 -1.50 0.00 0.00 178.83 178.50 1x4e h ASP 21 N 0.27 0.92 -0.73 1.46 1.82 -1.94 -1.04 116.42 117.19 1x4e h ASP 21 Ca 0.68 0.04 -0.06 0.00 -0.39 0.00 0.00 57.03 57.30 1x4e h ASP 21 Cb 1.51 -0.14 -0.03 0.00 0.68 0.00 0.00 39.33 41.34 1x4e h ASP 21 CO -0.64 0.50 0.21 -0.07 -1.61 0.00 0.00 179.24 177.64 1x4e h LEU 22 N 0.99 1.08 -0.71 2.28 3.38 0.41 -2.80 115.31 119.94 1x4e h LEU 22 Ca 0.48 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.30 1x4e h LEU 22 Cb 0.46 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1x4e h LEU 22 CO -0.25 1.01 0.41 0.58 0.09 0.00 0.00 178.44 180.28 1x4e h VAL 23 N 1.09 0.99 0.00 1.22 2.07 -0.94 0.08 116.25 120.75 1x4e h VAL 23 Ca 0.23 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1x4e h VAL 23 Cb 0.33 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1x4e h VAL 23 CO -0.00 0.14 -0.04 0.11 0.02 0.00 0.00 177.57 177.80 1x4e h LYS 24 N 0.75 0.00 -0.91 1.57 1.57 -1.24 0.90 116.57 119.20 1x4e h LYS 24 Ca 0.32 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 1x4e h LYS 24 Cb 0.18 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1x4e h LYS 24 CO -0.18 0.04 0.52 1.25 -0.57 0.00 0.00 179.45 180.50 1x4e h LEU 25 N 0.00 1.13 -3.00 2.94 5.85 -0.72 -3.29 115.31 118.22 1x4e h LEU 25 Ca -0.00 -0.09 -0.16 0.00 0.84 0.00 0.00 57.88 58.47 1x4e h LEU 25 Cb 0.40 -0.29 -0.35 0.00 0.37 0.00 0.00 40.66 40.79 1x4e h LEU 25 CO 0.00 0.89 -0.99 0.00 -0.34 0.00 0.00 178.44 178.01 1x4e h GLN 27 N 1.00 -0.95 0.00 0.00 4.15 0.76 -2.76 115.11 117.30 1x4e h GLN 27 Ca -0.21 0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.28 1x4e h GLN 27 Cb 1.81 0.22 0.00 0.00 0.21 0.00 0.00 27.48 29.72 1x4e h GLN 27 CO 0.09 -0.61 0.00 -0.35 -1.93 0.00 0.00 178.83 176.03 1x4e n PRO 28 N -5.46 0.49 0.01 -2.39 -0.04 -1.26 -2.50 135.00 123.85 1x4e n PRO 28 Ca -0.13 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.20 1x4e n PRO 28 Cb 0.40 -1.36 -0.14 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.19 0.00 0.54 -1.99 -1.85 -3.50 116.97 110.35 1x4e h TYR 29 Ca 0.00 -0.14 0.00 0.00 2.00 0.00 0.00 58.73 60.59 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 1.23 0.00 0.41 -0.00 0.00 0.00 178.16 179.80 1x4e n GLY 30 N 1.64 -0.56 3.70 3.88 0.00 -1.04 -4.95 105.19 107.85 1x4e n GLY 30 Ca -0.18 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.76 4.46 -0.31 1.61 2.20 -1.26 -4.74 119.74 120.94 1x4e s LYS 31 Ca 0.00 1.23 -0.04 0.00 -0.36 0.00 0.00 55.97 56.80 1x4e s LYS 31 Cb 0.00 -3.50 0.04 0.00 -1.51 0.00 0.00 37.83 32.87 1x4e s LYS 31 CO 0.00 -0.13 0.05 0.42 -0.36 0.00 0.00 175.35 175.32 1x4e s ILE 32 N 1.38 3.38 0.02 5.43 1.01 -1.26 -2.45 121.20 128.71 1x4e s ILE 32 Ca 0.46 -1.20 -0.20 0.00 0.00 0.00 0.00 60.65 59.71 1x4e s ILE 32 Cb -0.19 -2.90 -0.11 0.00 0.01 0.00 0.00 42.46 39.27 1x4e s ILE 32 CO 0.21 -0.10 1.07 0.58 0.00 0.00 0.00 174.94 176.70 1x4e h VAL 33 N 6.28 0.00 -2.54 2.92 2.07 -1.56 -3.47 116.25 119.95 1x4e h VAL 33 Ca -0.23 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 1x4e h VAL 33 Cb 1.08 0.00 -0.21 0.00 -1.52 0.00 0.00 31.29 30.64 1x4e h VAL 33 CO 0.57 0.00 -0.08 -0.55 0.02 0.00 0.00 177.57 177.53 1x4e s SER 34 N -3.64 -0.44 0.09 0.57 0.15 -1.25 -5.05 113.70 104.12 1x4e s SER 34 Ca -0.10 0.58 0.07 0.00 0.70 0.00 0.00 55.95 57.20 1x4e s SER 34 Cb 0.01 0.61 -0.04 0.00 -1.71 0.00 0.00 66.02 64.90 1x4e s SER 34 CO 0.31 -0.41 -0.13 0.42 1.20 0.00 0.00 173.24 174.63 1x4e s THR 35 N -0.78 3.15 -0.14 6.45 -4.23 -1.26 -1.85 115.64 116.98 1x4e s THR 35 Ca -0.08 -1.27 -0.04 0.00 -1.18 0.00 0.00 61.69 59.11 1x4e s THR 35 Cb -0.03 -2.43 0.06 0.00 1.34 0.00 0.00 72.50 71.43 1x4e s THR 35 CO 0.05 0.18 0.10 -0.75 -0.54 0.00 0.00 174.62 173.66 1x4e s LYS 36 N -1.98 0.04 -0.22 3.99 2.47 -0.34 -4.94 119.74 118.77 1x4e s LYS 36 Ca 0.19 0.08 -0.22 0.00 -1.56 0.00 0.00 55.97 54.46 1x4e s LYS 36 Cb -0.11 -1.40 -0.02 0.00 -1.46 0.00 0.00 37.83 34.85 1x4e s LYS 36 CO 0.11 -0.58 0.71 0.00 0.16 0.00 0.00 175.35 175.75 1x4e s ALA 37 N 2.18 3.58 -0.07 3.13 0.00 -1.26 0.87 121.76 130.19 1x4e s ALA 37 Ca 0.03 -0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.47 1x4e s ALA 37 Cb -0.15 -3.10 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 1x4e s ALA 37 CO -0.08 -0.71 1.54 0.42 0.00 0.00 0.00 175.76 176.93 1x4e s ILE 38 N 2.29 3.72 0.12 0.00 -1.09 -0.42 -4.94 121.20 120.88 1x4e s ILE 38 Ca 0.31 0.91 0.09 0.00 -2.23 0.00 0.00 60.65 59.74 1x4e s ILE 38 Cb -0.16 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1x4e s ILE 38 CO 0.10 -0.07 -0.24 -0.76 -1.23 0.00 0.00 174.94 172.74 1x4e s LEU 39 N 3.69 2.31 0.92 2.97 1.43 -1.26 -2.58 118.68 126.16 1x4e s LEU 39 Ca 0.68 -0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 52.95 1x4e s LEU 39 Cb -0.31 -1.04 0.14 0.00 0.03 0.00 0.00 46.19 45.02 1x4e s LEU 39 CO 0.26 0.11 1.09 -1.81 0.23 0.00 0.00 176.35 176.24 1x4e s ASP 40 N -2.01 3.18 -0.09 2.29 1.01 -1.26 -4.77 116.67 115.03 1x4e s ASP 40 Ca 0.10 1.71 -0.21 0.00 0.71 0.00 0.00 52.55 54.86 1x4e s ASP 40 Cb -0.10 -2.34 -0.29 0.00 1.01 0.00 0.00 42.92 41.20 1x4e s ASP 40 CO 0.05 -2.86 0.73 0.50 0.21 0.00 0.00 175.17 173.81 1x4e h LYS 41 N -1.70 0.22 0.00 8.23 3.64 -2.00 -2.97 116.57 121.99 1x4e h LYS 41 Ca -0.49 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 58.52 1x4e h LYS 41 Cb 1.28 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 1x4e h LYS 41 CO 0.50 1.18 -0.32 1.15 -2.27 0.00 0.00 179.45 179.70 1x4e h THR 42 N -0.49 0.00 -0.25 1.00 2.02 -2.07 -3.40 112.91 109.71 1x4e h THR 42 Ca -0.18 -0.83 -0.07 0.00 0.77 0.00 0.00 66.41 66.10 1x4e h THR 42 Cb 1.56 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1x4e h THR 42 CO 0.08 0.00 -0.12 0.71 0.37 0.00 0.00 175.52 176.55 1x4e h THR 43 N -0.83 1.30 -4.59 3.16 1.35 -1.99 -3.47 112.91 107.84 1x4e h THR 43 Ca 0.00 -1.21 -0.39 0.00 -0.55 0.00 0.00 66.41 64.26 1x4e h THR 43 Cb 0.32 1.55 0.02 0.00 -1.73 0.00 0.00 68.15 68.30 1x4e h THR 43 CO 0.00 0.38 -0.57 0.59 -0.25 0.00 0.00 175.52 175.66 1x4e n ASN 44 N -4.47 -5.38 -2.28 5.36 4.13 -1.12 -4.88 115.26 106.62 1x4e n ASN 44 Ca -0.04 -0.27 -0.32 0.00 1.68 0.00 0.00 54.58 55.64 1x4e n ASN 44 Cb 0.35 -4.38 0.06 0.00 -1.54 0.00 0.00 39.78 34.27 1x4e n ASN 44 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1x4e n LYS 45 N -3.82 3.01 -2.73 3.52 2.85 -1.26 -4.61 118.16 115.11 1x4e n LYS 45 Ca -0.10 -3.63 -0.03 0.00 -1.05 0.00 0.00 58.31 53.51 1x4e n LYS 45 Cb 0.60 -2.28 -0.02 0.00 -0.65 0.00 0.00 35.03 32.68 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 3.74 0.11 0.00 0.00 1.57 -1.80 -3.40 116.57 116.78 1x4e h LYS 47 Ca -0.26 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1x4e h LYS 47 Cb 0.65 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1x4e h LYS 47 CO 0.05 0.07 0.00 0.41 -0.57 0.00 0.00 179.45 179.41 1x4e n GLY 48 N -1.67 1.15 2.93 3.86 0.00 -1.26 -4.95 105.19 105.25 1x4e n GLY 48 Ca 0.32 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.15 0.24 0.06 1.61 2.02 -1.26 0.86 117.35 119.74 1x4e s TYR 49 Ca 0.00 -0.15 0.07 0.00 -0.37 0.00 0.00 57.07 56.61 1x4e s TYR 49 Cb 0.00 -0.16 -0.03 0.00 -0.40 0.00 0.00 41.96 41.38 1x4e s TYR 49 CO 0.00 -0.04 -0.18 0.20 -1.57 0.00 0.00 175.55 173.96 1x4e s GLY 50 N -0.40 1.03 -0.08 0.71 0.00 0.88 -1.30 107.32 108.16 1x4e s GLY 50 Ca -0.03 -1.04 -0.01 0.00 0.00 0.00 0.00 44.72 43.65 1x4e s GLY 50 CO -0.00 -1.01 -0.02 -0.12 0.00 0.00 0.00 173.10 171.95 1x4e s PHE 51 N -0.95 3.09 -0.17 1.90 2.19 0.25 -1.12 117.98 123.18 1x4e s PHE 51 Ca 0.05 0.14 -0.04 0.00 0.33 0.00 0.00 56.93 57.41 1x4e s PHE 51 Cb -0.09 -1.76 0.07 0.00 -1.31 0.00 0.00 43.02 39.93 1x4e s PHE 51 CO 0.02 0.43 0.15 0.08 1.83 0.00 0.00 175.22 177.73 1x4e s VAL 52 N -0.87 -0.20 0.01 3.12 1.01 -0.91 -1.20 120.40 121.37 1x4e s VAL 52 Ca 0.13 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 1x4e s VAL 52 Cb -0.11 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 1x4e s VAL 52 CO 0.02 -0.19 0.25 -1.81 0.00 0.00 0.00 175.10 173.37 1x4e s ASP 53 N 2.23 6.45 0.31 3.32 1.01 -0.77 0.31 116.67 129.53 1x4e s ASP 53 Ca 0.04 0.49 0.10 0.00 0.71 0.00 0.00 52.55 53.90 1x4e s ASP 53 Cb -0.15 -2.06 -0.05 0.00 1.01 0.00 0.00 42.92 41.66 1x4e s ASP 53 CO -0.10 0.24 -0.10 -0.36 0.21 0.00 0.00 175.17 175.07 1x4e s PHE 54 N -1.33 2.43 -1.51 4.23 0.40 -0.04 -1.60 117.98 120.56 1x4e s PHE 54 Ca 0.28 -0.38 0.20 0.00 -0.60 0.00 0.00 56.93 56.43 1x4e s PHE 54 Cb -0.13 -1.23 1.02 0.00 0.51 0.00 0.00 43.02 43.19 1x4e s PHE 54 CO 0.18 0.62 1.60 -0.40 0.70 0.00 0.00 175.22 177.92 1x4e n ASP 55 N -0.78 0.00 -3.51 1.36 5.75 -1.03 -4.63 116.55 113.72 1x4e n ASP 55 Ca -0.05 -0.08 -0.17 0.00 -0.01 0.00 0.00 54.79 54.48 1x4e n ASP 55 Cb 0.61 -0.25 -0.06 0.00 -1.03 0.00 0.00 41.12 40.40 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 -2.49 -0.63 0.27 -1.12 0.01 -1.26 -5.05 113.70 103.42 1x4e s SER 56 Ca 0.20 0.63 0.04 0.00 1.31 0.00 0.00 55.95 58.13 1x4e s SER 56 Cb 0.13 0.53 0.35 0.00 0.21 0.00 0.00 66.02 67.25 1x4e s SER 56 CO 0.29 -0.63 1.64 1.55 0.41 0.00 0.00 173.24 176.50 1x4e h PRO 57 N 2.87 0.31 0.00 12.44 0.13 -1.86 -2.68 132.00 143.21 1x4e h PRO 57 Ca -0.27 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1x4e h PRO 57 Cb 1.16 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1x4e h PRO 57 CO 0.38 0.71 0.00 0.45 -0.23 0.00 0.00 178.00 179.31 1x4e n SER 58 N -3.99 0.51 -0.02 1.44 2.88 -1.26 -2.62 113.62 110.56 1x4e n SER 58 Ca -0.02 0.63 -0.20 0.00 -1.33 0.00 0.00 58.87 57.95 1x4e n SER 58 Cb 0.52 -0.74 -0.14 0.00 -0.75 0.00 0.00 64.21 63.11 1x4e n SER 58 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x4e n ALA 59 N -1.71 1.01 -0.04 -1.46 0.00 -1.03 -4.21 120.51 113.07 1x4e n ALA 59 Ca 0.02 -0.70 -0.11 0.00 0.00 0.00 0.00 53.44 52.66 1x4e n ALA 59 Cb 0.21 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 19.04 1x4e n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x4e h ALA 60 N 0.10 0.23 -0.80 0.00 0.00 -1.34 -2.93 119.26 114.52 1x4e h ALA 60 Ca -0.45 -0.08 0.19 0.00 0.00 0.00 0.00 54.91 54.57 1x4e h ALA 60 Cb 2.01 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 19.60 1x4e h ALA 60 CO 0.05 -0.21 0.10 1.96 0.00 0.00 0.00 179.25 181.16 1x4e h GLN 61 N 0.16 0.15 -0.98 0.00 4.20 -1.70 0.18 115.11 117.12 1x4e h GLN 61 Ca 0.06 -0.01 0.33 0.00 0.06 0.00 0.00 58.65 59.09 1x4e h GLN 61 Cb 0.12 -0.03 -0.16 0.00 0.30 0.00 0.00 27.48 27.70 1x4e h GLN 61 CO -0.01 0.10 0.41 -0.22 -0.67 0.00 0.00 178.83 178.44 1x4e h LYS 62 N 0.16 0.14 0.54 1.46 3.64 -1.68 0.11 116.57 120.93 1x4e h LYS 62 Ca 0.46 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.81 1x4e h LYS 62 Cb 0.85 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1x4e h LYS 62 CO -0.65 0.09 -0.26 0.00 -2.27 0.00 0.00 179.45 176.37 1x4e h ALA 63 N 1.91 -0.83 -0.86 5.00 0.00 -0.76 -2.52 119.26 121.20 1x4e h ALA 63 Ca 0.72 -0.16 0.22 0.00 0.00 0.00 0.00 54.91 55.69 1x4e h ALA 63 Cb 1.68 0.28 -0.14 0.00 0.00 0.00 0.00 17.79 19.61 1x4e h ALA 63 CO -0.72 -0.78 0.22 0.28 0.00 0.00 0.00 179.25 178.25 1x4e h VAL 64 N -1.02 0.35 0.04 0.00 2.07 -1.10 0.73 116.25 117.32 1x4e h VAL 64 Ca -0.07 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.38 1x4e h VAL 64 Cb 0.55 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1x4e h VAL 64 CO 0.12 0.04 -0.10 0.74 0.02 0.00 0.00 177.57 178.39 1x4e h THR 65 N 0.22 0.76 0.22 2.57 2.02 -0.86 -1.30 112.91 116.54 1x4e h THR 65 Ca 0.53 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.70 1x4e h THR 65 Cb 1.03 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1x4e h THR 65 CO -0.63 0.00 -0.10 0.00 0.37 0.00 0.00 175.52 175.15 1x4e h ALA 66 N 0.75 -0.49 -0.87 6.16 0.00 -0.55 -3.19 119.26 121.07 1x4e h ALA 66 Ca 0.02 -0.06 0.24 0.00 0.00 0.00 0.00 54.91 55.10 1x4e h ALA 66 Cb 0.21 0.11 -0.16 0.00 0.00 0.00 0.00 17.79 17.95 1x4e h ALA 66 CO -0.07 -0.47 -0.00 1.28 0.00 0.00 0.00 179.25 179.99 1x4e n LEU 67 N -3.60 -0.12 -0.00 0.00 4.77 0.24 0.66 117.00 118.94 1x4e n LEU 67 Ca -0.04 1.49 -0.10 0.00 -0.03 0.00 0.00 56.01 57.33 1x4e n LEU 67 Cb 0.11 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.64 1x4e n LEU 67 CO 0.09 -1.50 0.69 0.11 -1.33 0.00 0.00 177.39 175.45 1x4e h LYS 68 N 0.00 -0.31 0.00 3.23 1.57 -1.31 0.18 116.57 119.92 1x4e h LYS 68 Ca 0.52 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.31 1x4e h LYS 68 Cb 1.06 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 1x4e h LYS 68 CO -0.83 -0.21 -0.06 0.00 -0.57 0.00 0.00 179.45 177.79 1x4e h ALA 69 N 0.61 1.61 0.00 3.86 0.00 0.24 -1.40 119.26 124.18 1x4e h ALA 69 Ca 0.10 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1x4e h ALA 69 Cb 0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1x4e h ALA 69 CO -0.32 0.07 -0.38 1.03 0.00 0.00 0.00 179.25 179.65 1x4e h SER 70 N 0.00 0.00 0.00 0.00 0.87 0.38 -3.46 113.55 111.34 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 0.38 0.00 0.61 -0.53 0.00 0.00 176.83 177.30 1x4e n GLY 71 N -0.38 1.58 3.38 5.77 0.00 -0.53 -5.10 105.19 109.91 1x4e n GLY 71 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 2.55 -0.49 1.61 0.11 -1.06 -5.05 120.40 116.07 1x4e s VAL 72 Ca 0.00 -0.91 -0.27 0.00 -2.93 0.00 0.00 61.98 57.87 1x4e s VAL 72 Cb 0.00 -1.96 -0.02 0.00 -1.53 0.00 0.00 36.38 32.87 1x4e s VAL 72 CO 0.00 0.58 1.88 -1.10 -3.33 0.00 0.00 175.10 173.13 1x4e s GLN 73 N -0.54 2.86 -0.03 1.54 -1.52 -1.26 -3.98 119.66 116.72 1x4e s GLN 73 Ca 0.07 1.00 0.03 0.00 -1.95 0.00 0.00 55.36 54.52 1x4e s GLN 73 Cb -0.11 -4.33 -0.00 0.00 -0.22 0.00 0.00 33.01 28.35 1x4e s GLN 73 CO 0.01 -2.44 -0.13 0.00 -0.25 0.00 0.00 175.29 172.48 1x4e s ALA 74 N 8.49 1.23 0.26 6.09 0.00 -1.26 -0.32 121.76 136.25 1x4e s ALA 74 Ca 0.75 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 52.17 1x4e s ALA 74 Cb -0.17 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1x4e s ALA 74 CO 0.26 0.21 0.26 -0.65 0.00 0.00 0.00 175.76 175.85 1x4e s GLN 75 N 0.11 1.47 -0.23 0.00 -1.52 -0.83 -4.88 119.66 113.78 1x4e s GLN 75 Ca -0.03 -1.68 -0.02 0.00 -1.95 0.00 0.00 55.36 51.68 1x4e s GLN 75 Cb -0.10 0.34 0.06 0.00 -0.22 0.00 0.00 33.01 33.09 1x4e s GLN 75 CO 0.01 -0.54 2.41 -1.33 -0.25 0.00 0.00 175.29 175.59 1x4e n MET 76 N -0.41 1.78 -3.04 2.91 2.81 -1.26 -0.64 117.12 119.27 1x4e n MET 76 Ca 0.03 -1.30 -0.01 0.00 -1.81 0.00 0.00 57.70 54.61 1x4e n MET 76 Cb 0.64 -1.65 -0.00 0.00 -0.71 0.00 0.00 33.22 31.50 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 1.03 -2.01 -3.65 3.04 0.00 -1.13 -4.70 120.51 113.10 1x4e n ALA 77 Ca 0.29 0.29 -0.01 0.00 0.00 0.00 0.00 53.44 54.01 1x4e n ALA 77 Cb 0.61 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 1x4e n ALA 77 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1x4e s LYS 78 N -0.71 0.00 -0.33 0.00 1.02 -1.26 -4.96 119.74 113.50 1x4e s LYS 78 Ca -0.03 0.00 -0.13 0.00 0.02 0.00 0.00 55.97 55.83 1x4e s LYS 78 Cb 0.00 0.00 -0.02 0.00 -0.52 0.00 0.00 37.83 37.29 1x4e s LYS 78 CO 0.17 -0.00 0.25 -1.14 -0.92 0.00 0.00 175.35 173.71 1x4e s GLN 79 N -0.57 3.57 0.37 1.68 0.74 -1.26 -4.89 119.66 119.30 1x4e s GLN 79 Ca 0.09 -0.56 0.00 0.00 0.05 0.00 0.00 55.36 54.94 1x4e s GLN 79 Cb -0.03 -3.79 0.00 0.00 1.10 0.00 0.00 33.01 30.30 1x4e s GLN 79 CO -0.12 -0.42 0.00 0.45 -0.55 0.00 0.00 175.29 174.65 1x4e n SER 80 N 5.14 -9.10 0.00 6.67 2.88 -1.26 -5.06 113.62 112.89 1x4e n SER 80 Ca -0.12 1.28 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1x4e n SER 80 Cb 0.50 -4.76 0.00 0.00 -0.75 0.00 0.00 64.21 59.20 1x4e n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4e n GLY 81 N 0.43 1.11 0.00 0.46 0.00 -1.26 -4.99 105.19 100.93 1x4e n GLY 81 Ca 0.00 -0.54 0.07 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 0.08 -0.89 1.61 -0.04 -1.26 -4.99 135.00 129.50 1x4e n PRO 82 Ca 0.00 0.22 0.11 0.00 -0.04 0.00 0.00 63.50 63.79 1x4e n PRO 82 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 1x4e n PRO 82 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x4e n SER 83 N -1.42 -5.03 -0.17 3.54 7.64 -1.26 -4.46 113.62 112.46 1x4e n SER 83 Ca 0.05 0.81 -0.04 0.00 1.01 0.00 0.00 58.87 60.70 1x4e n SER 83 Cb 0.15 -3.01 -0.04 0.00 -1.01 0.00 0.00 64.21 60.29 1x4e n SER 83 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x4e n SER 84 N -3.51 -0.42 0.00 6.43 3.41 -1.26 -5.29 113.62 112.97 1x4e n SER 84 Ca -0.05 1.19 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 1x4e n SER 84 Cb 0.42 -0.33 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