#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 2.90 -4.02 1.61 2.88 -1.26 -5.03 113.62 110.69 1x4e n SER 2 Ca 0.00 -2.46 -0.32 0.00 -1.33 0.00 0.00 58.87 54.76 1x4e n SER 2 Cb 0.00 0.23 -0.13 0.00 -0.75 0.00 0.00 64.21 63.55 1x4e n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4e s SER 3 N -2.85 4.77 0.47 -3.46 0.15 -1.26 -5.04 113.70 106.48 1x4e s SER 3 Ca 0.01 -2.51 0.00 0.00 0.70 0.00 0.00 55.95 54.15 1x4e s SER 3 Cb -0.00 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.61 1x4e s SER 3 CO 0.00 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1x4e n GLY 4 N 3.84 1.62 0.98 9.45 0.00 -1.26 -4.91 105.19 114.90 1x4e n GLY 4 Ca 0.04 0.58 0.12 0.00 0.00 0.00 0.00 46.02 46.75 1x4e n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4e n SER 5 N 5.81 -5.41 -0.62 1.61 7.64 -1.26 -4.68 113.62 116.70 1x4e n SER 5 Ca 0.00 0.94 0.12 0.00 1.01 0.00 0.00 58.87 60.93 1x4e n SER 5 Cb 0.00 -3.33 0.06 0.00 -1.01 0.00 0.00 64.21 59.93 1x4e n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x4e n SER 6 N -3.62 2.24 -4.73 6.43 3.41 -1.26 -4.20 113.62 111.89 1x4e n SER 6 Ca -0.06 -1.62 -0.41 0.00 -0.26 0.00 0.00 58.87 56.52 1x4e n SER 6 Cb 0.46 0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 64.68 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 -2.33 2.94 0.15 5.00 0.00 -1.26 -0.04 107.32 111.78 1x4e s GLY 7 Ca 0.22 0.50 0.11 0.00 0.00 0.00 0.00 44.72 45.55 1x4e s GLY 7 CO 0.48 1.39 -0.25 1.08 0.00 0.00 0.00 173.10 175.81 1x4e s LEU 8 N 0.10 2.37 -0.32 0.66 1.43 0.15 -3.02 118.68 120.05 1x4e s LEU 8 Ca 0.45 -0.79 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1x4e s LEU 8 Cb -0.22 -1.14 0.11 0.00 0.03 0.00 0.00 46.19 44.97 1x4e s LEU 8 CO 0.28 0.13 0.12 -0.47 0.23 0.00 0.00 176.35 176.64 1x4e s TYR 9 N -1.35 1.24 -0.33 0.29 6.14 -0.14 -1.51 117.35 121.68 1x4e s TYR 9 Ca 0.16 -1.52 -0.14 0.00 0.64 0.00 0.00 57.07 56.20 1x4e s TYR 9 Cb -0.09 -1.43 -0.02 0.00 0.42 0.00 0.00 41.96 40.84 1x4e s TYR 9 CO 0.07 -0.85 0.32 0.42 0.64 0.00 0.00 175.55 176.15 1x4e s ILE 10 N 1.64 5.21 0.45 3.14 1.09 -0.01 -2.15 121.20 130.56 1x4e s ILE 10 Ca 0.11 0.02 0.03 0.00 -1.10 0.00 0.00 60.65 59.70 1x4e s ILE 10 Cb -0.18 -3.77 0.01 0.00 -1.06 0.00 0.00 42.46 37.46 1x4e s ILE 10 CO -0.25 -0.04 0.64 -0.13 -0.10 0.00 0.00 174.94 175.06 1x4e s ARG 11 N 1.93 2.93 -0.37 2.79 0.52 0.79 0.21 118.95 127.74 1x4e s ARG 11 Ca 0.10 -0.74 -0.02 0.00 -0.52 0.00 0.00 55.73 54.56 1x4e s ARG 11 Cb -0.17 -2.62 -0.02 0.00 0.52 0.00 0.00 34.95 32.67 1x4e s ARG 11 CO 0.11 -0.31 0.33 0.41 0.02 0.00 0.00 175.30 175.87 1x4e n GLY 12 N -2.03 -0.07 0.00 -3.53 0.00 0.47 -4.16 105.19 95.88 1x4e n GLY 12 Ca 0.03 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.96 0.00 -4.46 0.99 4.77 -1.06 -4.98 117.00 110.30 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 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 1x4e n LEU 13 CO 0.22 0.00 -0.48 -1.10 -1.33 0.00 0.00 177.39 174.71 1x4e s GLN 14 N 2.75 1.66 0.49 3.23 -1.52 -1.26 -4.87 119.66 120.13 1x4e s GLN 14 Ca 0.00 -1.76 0.32 0.00 -1.95 0.00 0.00 55.36 51.97 1x4e s GLN 14 Cb 0.00 -1.72 1.31 0.00 -0.22 0.00 0.00 33.01 32.38 1x4e s GLN 14 CO 0.00 0.32 1.93 -1.00 -0.25 0.00 0.00 175.29 176.29 1x4e h PRO 15 N 2.29 0.00 -0.18 2.91 0.13 -1.80 -2.57 132.00 132.78 1x4e h PRO 15 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1x4e h PRO 15 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1x4e h PRO 15 CO 0.60 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.78 1x4e n GLY 16 N -0.01 1.05 3.70 1.56 0.00 -1.26 -4.34 105.19 105.89 1x4e n GLY 16 Ca 0.01 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 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 1.13 0.19 -4.26 2.61 -1.04 -0.97 -4.99 114.28 106.95 1x4e n THR 17 Ca 0.17 -0.03 -0.27 0.00 -2.04 0.00 0.00 64.05 61.87 1x4e n THR 17 Cb 0.54 -1.97 -0.03 0.00 -1.82 0.00 0.00 70.33 67.05 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 4.27 0.00 0.04 12.58 -2.24 -1.26 -4.85 114.28 122.82 1x4e n THR 18 Ca 0.17 -2.15 -0.02 0.00 -2.27 0.00 0.00 64.05 59.78 1x4e n THR 18 Cb 0.35 0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.75 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 0.86 -0.18 -0.78 3.42 3.32 -1.94 -2.97 116.42 118.16 1x4e h ASP 19 Ca -0.36 0.01 0.15 0.00 0.02 0.00 0.00 57.03 56.85 1x4e h ASP 19 Cb 1.20 0.06 -0.15 0.00 0.22 0.00 0.00 39.33 40.66 1x4e h ASP 19 CO 0.58 -0.08 -0.25 1.56 -1.72 0.00 0.00 179.24 179.33 1x4e h GLN 20 N -0.13 -0.03 -1.19 3.56 7.50 -1.97 0.37 115.11 123.21 1x4e h GLN 20 Ca -0.01 0.00 0.42 0.00 0.50 0.00 0.00 58.65 59.56 1x4e h GLN 20 Cb 0.11 0.01 -0.13 0.00 0.05 0.00 0.00 27.48 27.52 1x4e h GLN 20 CO -0.01 -0.02 0.76 -3.47 -1.50 0.00 0.00 178.83 174.59 1x4e n ASP 21 N -5.50 0.20 -0.08 1.46 2.03 -1.13 0.20 116.55 113.73 1x4e n ASP 21 Ca 0.10 1.25 -0.12 0.00 0.52 0.00 0.00 54.79 56.53 1x4e n ASP 21 Cb 0.40 -0.61 -0.05 0.00 -0.72 0.00 0.00 41.12 40.13 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 0.48 -1.08 -2.67 3.38 -0.20 -2.84 115.31 112.39 1x4e h LEU 22 Ca 0.78 -0.41 0.16 0.00 0.09 0.00 0.00 57.88 58.50 1x4e h LEU 22 Cb 2.47 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 42.99 1x4e h LEU 22 CO -0.43 0.79 0.62 0.58 0.09 0.00 0.00 178.44 180.08 1x4e h VAL 23 N 0.18 0.79 0.00 1.22 2.07 0.22 0.37 116.25 121.10 1x4e h VAL 23 Ca 0.05 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1x4e h VAL 23 Cb 0.60 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1x4e h VAL 23 CO 0.03 0.15 -0.06 0.11 0.02 0.00 0.00 177.57 177.82 1x4e h LYS 24 N 0.81 0.00 0.00 1.57 1.57 -1.37 0.86 116.57 120.01 1x4e h LYS 24 Ca 0.53 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.30 1x4e h LYS 24 Cb 0.76 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 1x4e h LYS 24 CO -0.31 0.06 -0.05 1.25 -0.57 0.00 0.00 179.45 179.83 1x4e h LEU 25 N 0.00 0.00 -2.27 2.94 5.85 -0.01 -3.27 115.31 118.55 1x4e h LEU 25 Ca -0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 1x4e h LEU 25 Cb 0.70 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 41.53 1x4e h LEU 25 CO 0.01 0.05 -0.51 0.00 -0.34 0.00 0.00 178.44 177.65 1x4e h GLN 27 N 0.30 -1.07 0.00 0.00 4.15 0.69 -2.78 115.11 116.40 1x4e h GLN 27 Ca -0.44 0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.06 1x4e h GLN 27 Cb 1.54 0.24 0.00 0.00 0.21 0.00 0.00 27.48 29.48 1x4e h GLN 27 CO -0.16 -0.71 0.00 -0.35 -1.93 0.00 0.00 178.83 175.68 1x4e n PRO 28 N -5.52 0.49 0.05 -2.39 -0.04 -1.26 -2.66 135.00 123.67 1x4e n PRO 28 Ca -0.14 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.11 1x4e n PRO 28 Cb 0.44 -1.39 -0.15 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 0.58 0.00 0.54 -1.99 -1.87 -3.50 116.97 110.73 1x4e h TYR 29 Ca 0.00 -0.43 0.00 0.00 2.00 0.00 0.00 58.73 60.30 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 1.61 0.00 0.41 -0.00 0.00 0.00 178.16 180.18 1x4e n GLY 30 N 1.83 -0.57 3.69 3.88 0.00 -1.09 -4.95 105.19 107.98 1x4e n GLY 30 Ca -0.24 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.03 4.42 -0.24 1.61 2.20 -1.26 -4.74 119.74 121.70 1x4e s LYS 31 Ca 0.00 1.21 -0.04 0.00 -0.36 0.00 0.00 55.97 56.78 1x4e s LYS 31 Cb 0.00 -3.52 -0.00 0.00 -1.51 0.00 0.00 37.83 32.80 1x4e s LYS 31 CO 0.00 -0.21 -0.01 0.42 -0.36 0.00 0.00 175.35 175.19 1x4e s ILE 32 N 1.66 3.48 -0.04 5.43 1.01 -1.26 -2.32 121.20 129.16 1x4e s ILE 32 Ca 0.44 -0.59 -0.12 0.00 0.00 0.00 0.00 60.65 60.38 1x4e s ILE 32 Cb -0.18 -2.66 -0.06 0.00 0.01 0.00 0.00 42.46 39.56 1x4e s ILE 32 CO 0.18 0.31 0.51 0.58 0.00 0.00 0.00 174.94 176.53 1x4e h VAL 33 N 5.80 0.00 -2.82 2.92 2.07 -0.92 -3.47 116.25 119.83 1x4e h VAL 33 Ca -0.38 -0.60 -0.10 0.00 0.82 0.00 0.00 66.70 66.45 1x4e h VAL 33 Cb 1.15 0.00 -0.19 0.00 -1.52 0.00 0.00 31.29 30.73 1x4e h VAL 33 CO 0.60 0.00 -0.14 -0.44 0.02 0.00 0.00 177.57 177.61 1x4e s SER 34 N -4.80 -0.31 -0.01 0.57 0.01 -1.18 -5.04 113.70 102.94 1x4e s SER 34 Ca -0.06 0.19 0.08 0.00 1.31 0.00 0.00 55.95 57.47 1x4e s SER 34 Cb 0.01 0.39 -0.02 0.00 0.21 0.00 0.00 66.02 66.60 1x4e s SER 34 CO 0.18 -0.53 -0.25 0.42 0.41 0.00 0.00 173.24 173.47 1x4e s THR 35 N -1.58 2.01 -0.16 1.44 -4.23 -1.26 -1.40 115.64 110.45 1x4e s THR 35 Ca -0.11 -1.12 -0.03 0.00 -1.18 0.00 0.00 61.69 59.25 1x4e s THR 35 Cb -0.03 -1.67 0.05 0.00 1.34 0.00 0.00 72.50 72.19 1x4e s THR 35 CO 0.04 0.53 0.04 -0.75 -0.54 0.00 0.00 174.62 173.94 1x4e s LYS 36 N -0.69 0.53 -0.15 3.99 2.47 0.49 -4.98 119.74 121.41 1x4e s LYS 36 Ca 0.10 -0.25 -0.23 0.00 -1.56 0.00 0.00 55.97 54.03 1x4e s LYS 36 Cb -0.10 -1.82 -0.02 0.00 -1.46 0.00 0.00 37.83 34.42 1x4e s LYS 36 CO -0.01 -0.58 0.73 0.00 0.16 0.00 0.00 175.35 175.66 1x4e s ALA 37 N 1.93 3.47 -0.41 3.13 0.00 -1.26 0.11 121.76 128.73 1x4e s ALA 37 Ca 0.01 -0.03 -0.29 0.00 0.00 0.00 0.00 51.96 51.65 1x4e s ALA 37 Cb -0.16 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1x4e s ALA 37 CO -0.08 -0.46 1.51 0.42 0.00 0.00 0.00 175.76 177.16 1x4e s ILE 38 N 1.67 3.78 0.26 0.00 -1.09 -0.18 -4.93 121.20 120.71 1x4e s ILE 38 Ca 0.35 0.79 0.10 0.00 -2.23 0.00 0.00 60.65 59.66 1x4e s ILE 38 Cb -0.17 -4.09 -0.05 0.00 -1.58 0.00 0.00 42.46 36.58 1x4e s ILE 38 CO 0.13 -0.72 -0.08 -0.76 -1.23 0.00 0.00 174.94 172.29 1x4e s LEU 39 N 5.89 2.96 0.82 2.97 1.43 -1.26 -1.50 118.68 129.99 1x4e s LEU 39 Ca 0.65 -0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 1x4e s LEU 39 Cb -0.15 -1.51 0.09 0.00 0.03 0.00 0.00 46.19 44.64 1x4e s LEU 39 CO 0.32 0.03 1.09 -1.81 0.23 0.00 0.00 176.35 176.21 1x4e s ASP 40 N -3.50 4.17 0.02 2.29 1.01 -1.26 -4.71 116.67 114.70 1x4e s ASP 40 Ca 0.30 1.48 0.14 0.00 0.71 0.00 0.00 52.55 55.17 1x4e s ASP 40 Cb -0.06 -2.20 -0.18 0.00 1.01 0.00 0.00 42.92 41.49 1x4e s ASP 40 CO 0.18 -2.20 0.80 0.11 0.21 0.00 0.00 175.17 174.27 1x4e h LYS 41 N -1.24 0.00 0.00 8.23 1.57 -2.00 -2.84 116.57 120.29 1x4e h LYS 41 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1x4e h LYS 41 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1x4e h LYS 41 CO 0.56 0.45 -0.49 2.41 -0.57 0.00 0.00 179.45 181.81 1x4e n THR 42 N -3.02 1.02 0.06 -0.16 -1.04 -1.26 -4.63 114.28 105.25 1x4e n THR 42 Ca -0.12 0.28 -0.04 0.00 -2.04 0.00 0.00 64.05 62.13 1x4e n THR 42 Cb 0.95 -2.12 -0.08 0.00 -1.82 0.00 0.00 70.33 67.26 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 -0.70 1.12 -6.64 12.58 1.35 -1.99 -3.48 112.91 115.15 1x4e h THR 43 Ca 0.00 -2.74 -0.53 0.00 -0.55 0.00 0.00 66.41 62.59 1x4e h THR 43 Cb 0.49 2.52 -0.12 0.00 -1.73 0.00 0.00 68.15 69.30 1x4e h THR 43 CO 0.00 0.64 -0.87 -3.20 -0.25 0.00 0.00 175.52 171.84 1x4e n ASN 44 N -3.18 -1.35 -2.55 5.36 2.85 -1.07 -4.87 115.26 110.46 1x4e n ASN 44 Ca -0.05 -1.03 -0.31 0.00 -0.11 0.00 0.00 54.58 53.08 1x4e n ASN 44 Cb 0.90 -2.83 0.02 0.00 1.24 0.00 0.00 39.78 39.11 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 -4.42 3.18 -2.88 1.20 -0.00 -1.26 -4.59 118.16 109.39 1x4e n LYS 45 Ca -0.17 -4.06 -0.01 0.00 -0.00 0.00 0.00 58.31 54.08 1x4e n LYS 45 Cb 0.61 -2.26 -0.01 0.00 -0.00 0.00 0.00 35.03 33.37 1x4e n LYS 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1x4e h LYS 47 N 3.59 0.00 0.00 0.00 1.57 -1.55 -3.42 116.57 116.76 1x4e h LYS 47 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1x4e h LYS 47 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1x4e h LYS 47 CO 0.05 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.34 1x4e n GLY 48 N -1.64 1.64 3.14 3.86 0.00 -1.26 -4.93 105.19 106.02 1x4e n GLY 48 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.64 -0.09 0.03 1.61 2.02 -1.26 0.18 117.35 118.19 1x4e s TYR 49 Ca 0.00 0.16 0.04 0.00 -0.37 0.00 0.00 57.07 56.90 1x4e s TYR 49 Cb 0.00 0.02 -0.02 0.00 -0.40 0.00 0.00 41.96 41.57 1x4e s TYR 49 CO 0.00 -0.28 -0.11 0.20 -1.57 0.00 0.00 175.55 173.80 1x4e s GLY 50 N -1.00 0.61 -0.12 0.71 0.00 0.13 -1.01 107.32 106.63 1x4e s GLY 50 Ca -0.11 -0.68 -0.02 0.00 0.00 0.00 0.00 44.72 43.92 1x4e s GLY 50 CO 0.02 -0.66 -0.05 -0.12 0.00 0.00 0.00 173.10 172.28 1x4e s PHE 51 N -0.79 2.99 -0.19 1.90 2.19 0.30 -0.83 117.98 123.54 1x4e s PHE 51 Ca -0.01 -0.22 -0.04 0.00 0.33 0.00 0.00 56.93 57.00 1x4e s PHE 51 Cb -0.07 -1.87 0.06 0.00 -1.31 0.00 0.00 43.02 39.83 1x4e s PHE 51 CO 0.01 0.07 0.06 0.08 1.83 0.00 0.00 175.22 177.27 1x4e s VAL 52 N -0.03 0.30 -0.17 3.12 1.01 -0.57 -0.38 120.40 123.69 1x4e s VAL 52 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 1x4e s VAL 52 Cb -0.13 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 1x4e s VAL 52 CO 0.03 -0.25 0.18 -1.81 0.00 0.00 0.00 175.10 173.25 1x4e s ASP 53 N 1.96 6.32 0.35 3.32 1.01 -0.49 0.31 116.67 129.44 1x4e s ASP 53 Ca 0.00 0.37 0.07 0.00 0.71 0.00 0.00 52.55 53.71 1x4e s ASP 53 Cb -0.17 -2.11 -0.02 0.00 1.01 0.00 0.00 42.92 41.63 1x4e s ASP 53 CO -0.09 0.21 0.35 -0.36 0.21 0.00 0.00 175.17 175.50 1x4e s PHE 54 N 0.04 2.93 -1.95 4.23 0.40 0.94 -0.32 117.98 124.25 1x4e s PHE 54 Ca 0.12 -0.31 0.22 0.00 -0.60 0.00 0.00 56.93 56.36 1x4e s PHE 54 Cb -0.12 -1.90 1.29 0.00 0.51 0.00 0.00 43.02 42.80 1x4e s PHE 54 CO 0.01 0.09 1.68 -0.40 0.70 0.00 0.00 175.22 177.30 1x4e n ASP 55 N -1.47 0.00 -3.55 1.36 5.75 -0.98 -4.60 116.55 113.06 1x4e n ASP 55 Ca -0.01 -0.63 -0.12 0.00 -0.01 0.00 0.00 54.79 54.03 1x4e n ASP 55 Cb 0.60 -0.02 -0.05 0.00 -1.03 0.00 0.00 41.12 40.61 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 -2.05 -0.44 0.21 -1.12 0.01 -1.26 -5.05 113.70 104.00 1x4e s SER 56 Ca 0.32 0.40 -0.02 0.00 1.31 0.00 0.00 55.95 57.96 1x4e s SER 56 Cb 0.15 0.38 0.19 0.00 0.21 0.00 0.00 66.02 66.95 1x4e s SER 56 CO 0.26 -0.46 1.58 1.55 0.41 0.00 0.00 173.24 176.57 1x4e h PRO 57 N 2.55 0.58 0.00 12.44 0.13 -1.86 -2.74 132.00 143.10 1x4e h PRO 57 Ca -0.21 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1x4e h PRO 57 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1x4e h PRO 57 CO 0.33 0.89 0.00 0.66 -0.23 0.00 0.00 178.00 179.65 1x4e h SER 58 N 0.47 0.00 0.04 1.44 4.64 -1.97 -2.73 113.55 115.44 1x4e h SER 58 Ca 0.04 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.10 1x4e h SER 58 Cb 0.93 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.00 1x4e h SER 58 CO 0.08 0.00 -1.42 0.00 -0.87 0.00 0.00 176.83 174.62 1x4e h ALA 59 N 2.16 0.29 -0.51 5.18 0.00 -1.86 -3.37 119.26 121.15 1x4e h ALA 59 Ca 0.00 -1.23 0.06 0.00 0.00 0.00 0.00 54.91 53.74 1x4e h ALA 59 Cb 0.27 0.70 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1x4e h ALA 59 CO 0.00 0.84 0.22 0.00 0.00 0.00 0.00 179.25 180.31 1x4e h ALA 60 N -0.32 0.65 -0.66 0.00 0.00 -1.35 -2.42 119.26 115.16 1x4e h ALA 60 Ca -0.36 0.05 0.13 0.00 0.00 0.00 0.00 54.91 54.73 1x4e h ALA 60 Cb 1.51 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 19.16 1x4e h ALA 60 CO -0.12 -0.16 -0.15 1.96 0.00 0.00 0.00 179.25 180.78 1x4e h GLN 61 N 0.43 0.01 -1.06 0.00 4.20 -1.68 0.14 115.11 117.15 1x4e h GLN 61 Ca 0.24 -0.00 0.41 0.00 0.06 0.00 0.00 58.65 59.36 1x4e h GLN 61 Cb 0.21 -0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.84 1x4e h GLN 61 CO -0.21 0.00 0.62 1.17 -0.67 0.00 0.00 178.83 179.74 1x4e n LYS 62 N -5.44 -0.05 0.13 1.46 4.81 -0.91 -0.63 118.16 117.53 1x4e n LYS 62 Ca 0.08 1.23 -0.06 0.00 -0.87 0.00 0.00 58.31 58.69 1x4e n LYS 62 Cb 0.35 -2.29 -0.03 0.00 0.02 0.00 0.00 35.03 33.08 1x4e n LYS 62 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1x4e h ALA 63 N 1.71 -0.48 -0.97 3.14 0.00 -0.84 -2.94 119.26 118.88 1x4e h ALA 63 Ca 0.80 -0.09 0.30 0.00 0.00 0.00 0.00 54.91 55.92 1x4e h ALA 63 Cb 2.28 0.15 -0.15 0.00 0.00 0.00 0.00 17.79 20.08 1x4e h ALA 63 CO -0.61 -0.45 0.46 0.28 0.00 0.00 0.00 179.25 178.93 1x4e h VAL 64 N -0.87 0.30 -0.49 0.00 2.07 -0.83 0.78 116.25 117.20 1x4e h VAL 64 Ca -0.04 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1x4e h VAL 64 Cb 0.30 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1x4e h VAL 64 CO 0.07 0.05 0.29 0.74 0.02 0.00 0.00 177.57 178.74 1x4e h THR 65 N 0.28 1.16 0.00 2.57 2.02 -0.95 -2.26 112.91 115.73 1x4e h THR 65 Ca 0.68 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 67.49 1x4e h THR 65 Cb 1.50 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 1x4e h THR 65 CO -0.63 0.16 -0.00 0.00 0.37 0.00 0.00 175.52 175.42 1x4e h ALA 66 N 1.14 0.00 -0.77 6.16 0.00 -0.14 -3.31 119.26 122.34 1x4e h ALA 66 Ca 0.18 -0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.31 1x4e h ALA 66 Cb 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.66 1x4e h ALA 66 CO -0.03 0.00 0.07 1.28 0.00 0.00 0.00 179.25 180.58 1x4e n LEU 67 N -3.34 -0.04 0.00 0.00 4.77 0.23 0.11 117.00 118.73 1x4e n LEU 67 Ca -0.00 1.30 -0.10 0.00 -0.03 0.00 0.00 56.01 57.18 1x4e n LEU 67 Cb 0.00 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.56 1x4e n LEU 67 CO 0.00 -1.34 0.70 0.11 -1.33 0.00 0.00 177.39 175.53 1x4e h LYS 68 N 0.00 -0.29 0.00 3.23 1.57 -1.54 0.07 116.57 119.60 1x4e h LYS 68 Ca 0.49 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.29 1x4e h LYS 68 Cb 1.07 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 1x4e h LYS 68 CO -0.70 -0.20 -0.01 0.00 -0.57 0.00 0.00 179.45 177.97 1x4e h ALA 69 N 0.64 1.72 0.00 3.86 0.00 0.71 -0.91 119.26 125.29 1x4e h ALA 69 Ca 0.10 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1x4e h ALA 69 Cb 0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1x4e h ALA 69 CO -0.30 0.01 -0.40 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 -0.11 -3.47 113.55 110.84 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 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1x4e h SER 70 CO 0.00 0.40 0.00 0.61 -0.53 0.00 0.00 176.83 177.31 1x4e n GLY 71 N -0.30 1.84 3.25 5.77 0.00 -0.35 -5.10 105.19 110.29 1x4e n GLY 71 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 1.84 -0.56 1.61 0.11 -1.11 -5.06 120.40 115.24 1x4e s VAL 72 Ca 0.00 -0.97 -0.27 0.00 -2.93 0.00 0.00 61.98 57.81 1x4e s VAL 72 Cb 0.00 -1.54 -0.02 0.00 -1.53 0.00 0.00 36.38 33.29 1x4e s VAL 72 CO 0.00 0.52 1.84 -1.10 -3.33 0.00 0.00 175.10 173.02 1x4e s GLN 73 N -0.35 2.77 -0.10 1.54 -0.21 -1.26 -4.04 119.66 118.01 1x4e s GLN 73 Ca 0.03 0.76 -0.00 0.00 0.02 0.00 0.00 55.36 56.17 1x4e s GLN 73 Cb -0.11 -4.35 0.02 0.00 1.00 0.00 0.00 33.01 29.58 1x4e s GLN 73 CO 0.01 -2.55 -0.06 0.00 -2.12 0.00 0.00 175.29 170.56 1x4e s ALA 74 N 8.62 1.20 0.39 6.09 0.00 -1.26 -0.15 121.76 136.65 1x4e s ALA 74 Ca 0.69 -0.45 0.04 0.00 0.00 0.00 0.00 51.96 52.23 1x4e s ALA 74 Cb -0.14 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 1x4e s ALA 74 CO 0.23 -0.38 0.07 1.14 0.00 0.00 0.00 175.76 176.81 1x4e s GLN 75 N 1.67 1.87 -0.20 0.00 -2.07 -0.92 -4.81 119.66 115.21 1x4e s GLN 75 Ca 0.03 -2.11 -0.02 0.00 -1.82 0.00 0.00 55.36 51.45 1x4e s GLN 75 Cb -0.13 -1.00 0.05 0.00 -1.09 0.00 0.00 33.01 30.85 1x4e s GLN 75 CO -0.07 -0.29 2.39 -1.33 -1.32 0.00 0.00 175.29 174.66 1x4e n MET 76 N -0.89 1.70 -1.19 9.60 2.81 -1.26 -0.97 117.12 126.92 1x4e n MET 76 Ca -0.07 -1.16 0.13 0.00 -1.81 0.00 0.00 57.70 54.79 1x4e n MET 76 Cb 0.66 -1.59 -0.05 0.00 -0.71 0.00 0.00 33.22 31.54 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 1.09 -3.30 -3.25 3.04 0.00 -1.17 -4.73 120.51 112.20 1x4e n ALA 77 Ca 0.27 0.51 -0.19 0.00 0.00 0.00 0.00 53.44 54.03 1x4e n ALA 77 Cb 0.60 -1.19 -0.07 0.00 0.00 0.00 0.00 19.45 18.79 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 -3.26 0.83 0.10 0.00 2.36 -1.26 -4.57 119.74 113.94 1x4e s LYS 78 Ca 0.00 -1.42 0.00 0.00 -2.55 0.00 0.00 55.97 52.00 1x4e s LYS 78 Cb 0.00 -0.87 0.00 0.00 -1.05 0.00 0.00 37.83 35.91 1x4e s LYS 78 CO 0.00 -1.30 0.00 0.94 1.55 0.00 0.00 175.35 176.54 1x4e n GLN 79 N 3.40 0.00 -2.98 4.03 7.27 -1.26 -4.99 117.38 122.85 1x4e n GLN 79 Ca 0.20 0.00 -0.44 0.00 0.07 0.00 0.00 57.00 56.83 1x4e n GLN 79 Cb 0.48 -0.16 -0.03 0.00 2.41 0.00 0.00 30.24 32.94 1x4e n GLN 79 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1x4e s SER 80 N -5.14 6.49 0.00 1.69 0.15 -1.26 -5.03 113.70 110.59 1x4e s SER 80 Ca 0.00 -1.81 0.00 0.00 0.70 0.00 0.00 55.95 54.84 1x4e s SER 80 Cb 0.00 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 1x4e s SER 80 CO 0.00 -1.10 0.00 0.61 1.20 0.00 0.00 173.24 173.95 1x4e n GLY 81 N 5.29 -2.94 3.59 9.45 0.00 -1.26 -4.74 105.19 114.58 1x4e n GLY 81 Ca 0.13 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 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 3.30 0.06 1.61 0.04 -1.26 -4.91 135.00 133.83 1x4e s PRO 82 Ca 0.00 1.21 -0.27 0.00 0.04 0.00 0.00 61.00 61.98 1x4e s PRO 82 Cb 0.00 -4.18 0.10 0.00 0.04 0.00 0.00 34.50 30.45 1x4e s PRO 82 CO 0.00 -1.91 1.17 0.45 0.04 0.00 0.00 177.00 176.76 1x4e s SER 83 N 5.87 -0.05 0.00 6.66 0.15 -1.26 -5.15 113.70 119.92 1x4e s SER 83 Ca 0.74 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.08 1x4e s SER 83 Cb -0.19 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1x4e s SER 83 CO 0.32 -0.55 0.00 -0.24 1.20 0.00 0.00 173.24 173.96 1x4e n SER 84 N -0.76 0.00 0.00 5.45 2.88 -1.26 -5.17 113.62 114.76 1x4e n SER 84 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1x4e n SER 84 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1x4e n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42