#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1e s GLY 3 N 0.00 -0.26 -0.09 0.44 0.00 -1.26 -4.76 107.32 101.38 3i1e s GLY 3 Ca 0.00 1.71 -0.30 0.00 0.00 0.00 0.00 44.72 46.13 3i1e s GLY 3 CO 0.00 0.60 1.06 0.54 0.00 0.00 0.00 173.10 175.30 3i1e s VAL 4 N -2.26 4.65 -0.13 1.40 0.11 -0.89 -4.85 120.40 118.43 3i1e s VAL 4 Ca 0.09 1.93 -0.22 0.00 -2.93 0.00 0.00 61.98 60.84 3i1e s VAL 4 Cb -0.01 -4.24 -0.03 0.00 -1.53 0.00 0.00 36.38 30.57 3i1e s VAL 4 CO -0.05 0.00 0.68 -0.47 -3.33 0.00 0.00 175.10 171.93 3i1e s TYR 5 N 2.08 3.48 0.01 1.54 5.04 -1.26 -0.92 117.35 127.30 3i1e s TYR 5 Ca 0.50 1.11 -0.30 0.00 -2.44 0.00 0.00 57.07 55.94 3i1e s TYR 5 Cb -0.20 -2.81 -0.04 0.00 0.35 0.00 0.00 41.96 39.26 3i1e s TYR 5 CO 0.19 -0.05 1.13 0.08 -1.34 0.00 0.00 175.55 175.56 3i1e s VAL 6 N 1.39 4.37 -0.05 3.14 1.01 0.26 -3.26 120.40 127.24 3i1e s VAL 6 Ca 0.33 1.69 0.08 0.00 0.00 0.00 0.00 61.98 64.09 3i1e s VAL 6 Cb -0.17 -4.09 -0.12 0.00 0.00 0.00 0.00 36.38 32.00 3i1e s VAL 6 CO 0.14 0.09 0.11 -0.11 0.00 0.00 0.00 175.10 175.32 3i1e n LEU 7 N 4.30 0.00 -3.47 3.92 0.00 0.86 -0.96 117.00 121.65 3i1e n LEU 7 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 55.98 3i1e n LEU 7 Cb 0.48 0.12 -0.03 0.00 0.00 0.00 0.00 43.42 43.99 3i1e n LEU 7 CO 0.54 0.12 0.53 -0.55 0.00 0.00 0.00 177.39 178.03 3i1e s SER 8 N -3.63 -0.50 -0.07 1.96 0.15 -1.24 -4.79 113.70 105.58 3i1e s SER 8 Ca -0.04 0.10 -0.03 0.00 0.70 0.00 0.00 55.95 56.68 3i1e s SER 8 Cb 0.04 0.50 0.04 0.00 -1.71 0.00 0.00 66.02 64.89 3i1e s SER 8 CO 0.37 -0.77 0.12 -0.69 1.20 0.00 0.00 173.24 173.47 3i1e s VAL 9 N -3.12 -0.20 0.87 4.45 1.01 -1.26 -3.25 120.40 118.91 3i1e s VAL 9 Ca 0.01 0.38 -0.10 0.00 0.00 0.00 0.00 61.98 62.26 3i1e s VAL 9 Cb -0.01 -0.24 0.12 0.00 0.00 0.00 0.00 36.38 36.25 3i1e s VAL 9 CO -0.08 0.16 1.12 -0.54 0.00 0.00 0.00 175.10 175.75 3i1e s LYS 10 N 2.20 1.40 0.14 2.72 1.02 -1.24 -4.96 119.74 121.02 3i1e s LYS 10 Ca 0.03 1.37 0.10 0.00 0.02 0.00 0.00 55.97 57.49 3i1e s LYS 10 Cb -0.12 -1.78 -0.14 0.00 -0.52 0.00 0.00 37.83 35.27 3i1e s LYS 10 CO -0.05 -2.31 1.22 1.05 -0.92 0.00 0.00 175.35 174.34 3i1e h GLU 11 N -1.63 0.00 -1.42 1.68 4.11 -1.96 -3.36 114.58 112.00 3i1e h GLU 11 Ca -0.44 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 58.41 3i1e h GLU 11 Cb 1.26 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.27 3i1e h GLU 11 CO 0.46 0.76 0.74 -0.40 0.07 0.00 0.00 179.01 180.63 3i1e n ASP 12 N -3.25 7.22 -4.15 3.06 5.68 -1.26 -4.86 116.55 118.99 3i1e n ASP 12 Ca -0.02 -3.54 -0.11 0.00 -0.50 0.00 0.00 54.79 50.62 3i1e n ASP 12 Cb 0.89 -1.04 -0.10 0.00 -1.14 0.00 0.00 41.12 39.73 3i1e n ASP 12 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3i1e s VAL 13 N -3.92 0.66 0.08 2.12 -7.23 -1.26 -5.07 120.40 105.78 3i1e s VAL 13 Ca 0.53 -1.83 -0.31 0.00 -1.81 0.00 0.00 61.98 58.56 3i1e s VAL 13 Cb 0.41 -1.55 -0.14 0.00 0.56 0.00 0.00 36.38 35.66 3i1e s VAL 13 CO -0.10 -0.82 1.49 -0.65 -0.31 0.00 0.00 175.10 174.71 3i1e h PRO 14 N 3.15 -0.77 -0.88 4.82 0.11 -1.89 -1.50 132.00 135.05 3i1e h PRO 14 Ca -0.35 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3i1e h PRO 14 Cb 1.17 0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3i1e h PRO 14 CO 0.62 -0.51 0.00 0.00 -0.21 0.00 0.00 178.00 177.90 3i1e n ALA 15 N -2.80 1.62 0.32 -0.75 0.00 -1.26 -4.01 120.51 113.63 3i1e n ALA 15 Ca -0.09 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.55 3i1e n ALA 15 Cb 0.39 -1.00 1.07 0.00 0.00 0.00 0.00 19.45 19.91 3i1e n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1e h ALA 16 N 1.60 1.07 0.00 0.00 0.00 -1.49 -2.98 119.26 117.45 3i1e h ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i1e h ALA 16 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3i1e h ALA 16 CO 0.00 -0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.59 3i1e n GLY 17 N -1.13 0.84 0.09 0.00 0.00 -1.26 -4.86 105.19 98.87 3i1e n GLY 17 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 3i1e n GLY 17 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i1e h ILE 18 N 0.32 0.00 -3.51 -0.61 1.08 -1.77 -3.43 117.51 109.59 3i1e h ILE 18 Ca 0.00 -0.55 -0.61 0.00 -0.39 0.00 0.00 64.86 63.30 3i1e h ILE 18 Cb 0.16 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 33.79 3i1e h ILE 18 CO 0.00 0.00 0.11 -0.76 -0.69 0.00 0.00 178.15 176.81 3i1e s LEU 19 N -7.18 4.08 0.19 1.44 1.43 -1.17 -5.06 118.68 112.42 3i1e s LEU 19 Ca -0.02 0.61 0.04 0.00 -1.03 0.00 0.00 54.13 53.73 3i1e s LEU 19 Cb 0.00 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 3i1e s LEU 19 CO 0.07 -0.37 0.27 -1.00 0.23 0.00 0.00 176.35 175.54 3i1e s HIS 20 N 2.48 3.36 0.37 0.29 3.76 -1.26 -4.82 115.29 119.46 3i1e s HIS 20 Ca 0.25 0.02 -0.27 0.00 -0.15 0.00 0.00 55.06 54.90 3i1e s HIS 20 Cb -0.15 -1.57 -0.11 0.00 1.11 0.00 0.00 32.58 31.85 3i1e s HIS 20 CO 0.09 0.50 1.29 0.00 -0.85 0.00 0.00 174.74 175.77 3i1e n ALA 21 N -0.86 1.35 -0.35 -1.40 0.00 -1.26 -2.99 120.51 115.00 3i1e n ALA 21 Ca -0.08 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3i1e n ALA 21 Cb 0.56 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3i1e n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1e n GLY 22 N 0.77 0.79 3.97 0.00 0.00 -0.13 -5.01 105.19 105.58 3i1e n GLY 22 Ca 0.05 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 3i1e n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i1e s ASP 23 N -2.28 5.75 -0.41 1.61 1.01 -1.16 -4.52 116.67 116.67 3i1e s ASP 23 Ca 0.00 -0.32 0.02 0.00 0.71 0.00 0.00 52.55 52.96 3i1e s ASP 23 Cb 0.00 -1.01 0.12 0.00 1.01 0.00 0.00 42.92 43.04 3i1e s ASP 23 CO 0.00 -0.52 0.18 -0.22 0.21 0.00 0.00 175.17 174.82 3i1e s LEU 24 N -4.19 3.38 -0.16 1.23 2.96 -1.13 0.89 118.68 121.66 3i1e s LEU 24 Ca 0.47 -2.44 -0.29 0.00 -0.22 0.00 0.00 54.13 51.66 3i1e s LEU 24 Cb -0.09 -1.26 -0.05 0.00 0.50 0.00 0.00 46.19 45.30 3i1e s LEU 24 CO 0.31 -0.31 1.84 -0.63 -1.32 0.00 0.00 176.35 176.24 3i1e s ILE 25 N 0.55 3.37 -0.18 6.68 -1.09 -0.10 -2.92 121.20 127.51 3i1e s ILE 25 Ca 0.15 0.42 0.01 0.00 -2.23 0.00 0.00 60.65 58.99 3i1e s ILE 25 Cb -0.22 -3.38 -0.12 0.00 -1.58 0.00 0.00 42.46 37.16 3i1e s ILE 25 CO -0.06 -0.16 -0.16 0.35 -1.23 0.00 0.00 174.94 173.68 3i1e n THR 26 N 6.52 1.03 -4.62 2.92 -2.24 -0.98 -2.08 114.28 114.83 3i1e n THR 26 Ca 0.22 -0.39 -0.32 0.00 -2.27 0.00 0.00 64.05 61.29 3i1e n THR 26 Cb 0.44 -1.18 -0.11 0.00 -2.10 0.00 0.00 70.33 67.38 3i1e n THR 26 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3i1e s GLU 27 N -2.36 2.52 -0.29 -0.78 0.41 -1.07 -4.35 118.70 112.79 3i1e s GLU 27 Ca -0.24 -0.71 -0.01 0.00 -0.41 0.00 0.00 54.97 53.59 3i1e s GLU 27 Cb 0.06 -2.45 0.09 0.00 -1.78 0.00 0.00 34.13 30.05 3i1e s GLU 27 CO 0.41 0.61 0.09 -1.50 -0.49 0.00 0.00 175.26 174.38 3i1e s ILE 28 N -0.89 0.73 -1.26 -1.63 1.10 -0.01 -1.97 121.20 117.28 3i1e s ILE 28 Ca 0.14 -1.19 -0.03 0.00 -0.51 0.00 0.00 60.65 59.06 3i1e s ILE 28 Cb -0.11 -1.49 -0.01 0.00 0.15 0.00 0.00 42.46 41.00 3i1e s ILE 28 CO 0.04 -0.59 0.73 0.47 -2.11 0.00 0.00 174.94 173.48 3i1e n ASP 29 N 4.92 -2.21 -1.34 4.50 10.43 0.30 -0.91 116.55 132.24 3i1e n ASP 29 Ca -0.04 -0.84 -0.17 0.00 2.57 0.00 0.00 54.79 56.31 3i1e n ASP 29 Cb 0.43 -4.07 -0.07 0.00 1.84 0.00 0.00 41.12 39.24 3i1e n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3i1e n GLY 30 N -1.56 1.72 3.36 0.44 0.00 -1.26 -4.97 105.19 102.92 3i1e n GLY 30 Ca -0.25 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 3i1e n GLY 30 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i1e s GLN 31 N -3.47 3.41 0.08 1.61 -1.52 -0.09 -5.11 119.66 114.58 3i1e s GLN 31 Ca 0.00 -0.65 0.02 0.00 -1.95 0.00 0.00 55.36 52.78 3i1e s GLN 31 Cb 0.00 -2.78 -0.04 0.00 -0.22 0.00 0.00 33.01 29.97 3i1e s GLN 31 CO 0.00 0.09 0.17 -1.54 -0.25 0.00 0.00 175.29 173.76 3i1e s SER 32 N 0.71 6.02 0.01 5.90 1.04 -1.26 -0.83 113.70 125.28 3i1e s SER 32 Ca -0.05 0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.54 3i1e s SER 32 Cb -0.15 -1.76 -0.01 0.00 0.10 0.00 0.00 66.02 64.20 3i1e s SER 32 CO 0.02 0.15 -0.07 0.72 0.98 0.00 0.00 173.24 175.03 3i1e s PHE 33 N -1.52 0.66 -0.09 5.02 -0.71 -1.26 -5.03 117.98 115.05 3i1e s PHE 33 Ca 0.33 -0.21 -0.21 0.00 -1.04 0.00 0.00 56.93 55.80 3i1e s PHE 33 Cb -0.12 -0.41 -0.17 0.00 -1.21 0.00 0.00 43.02 41.10 3i1e s PHE 33 CO 0.26 -0.02 0.72 0.87 -1.34 0.00 0.00 175.22 175.71 3i1e h LYS 34 N 5.60 -0.07 -6.38 1.99 1.79 -1.98 -3.41 116.57 114.10 3i1e h LYS 34 Ca -0.31 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 57.73 3i1e h LYS 34 Cb 1.19 0.02 0.01 0.00 -1.58 0.00 0.00 32.23 31.87 3i1e h LYS 34 CO 0.48 0.51 -0.29 -1.54 -1.08 0.00 0.00 179.45 177.53 3i1e s SER 35 N -5.80 5.59 0.25 0.86 1.04 -1.26 -3.04 113.70 111.34 3i1e s SER 35 Ca -0.13 -0.45 0.10 0.00 0.48 0.00 0.00 55.95 55.94 3i1e s SER 35 Cb -0.01 -0.71 0.29 0.00 0.10 0.00 0.00 66.02 65.69 3i1e s SER 35 CO 0.50 -0.70 1.57 0.28 0.98 0.00 0.00 173.24 175.87 3i1e h SER 36 N 0.74 0.01 -0.26 7.02 0.02 -1.90 -3.33 113.55 115.85 3i1e h SER 36 Ca -0.41 -0.01 0.06 0.00 -0.84 0.00 0.00 61.79 60.59 3i1e h SER 36 Cb 1.27 -0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.73 3i1e h SER 36 CO 0.48 0.67 -0.42 1.56 -1.14 0.00 0.00 176.83 177.98 3i1e h GLN 37 N 0.01 -0.39 -0.96 3.45 1.08 -1.88 -2.39 115.11 114.03 3i1e h GLN 37 Ca -0.01 0.03 0.09 0.00 -1.45 0.00 0.00 58.65 57.31 3i1e h GLN 37 Cb 1.17 0.09 -0.11 0.00 -0.05 0.00 0.00 27.48 28.57 3i1e h GLN 37 CO 0.09 -0.26 -0.56 -1.91 -0.95 0.00 0.00 178.83 175.23 3i1e n GLU 38 N -5.42 -0.42 -0.31 1.46 2.13 -1.25 0.19 120.64 117.02 3i1e n GLU 38 Ca -0.02 1.45 0.17 0.00 0.66 0.00 0.00 57.16 59.42 3i1e n GLU 38 Cb 0.35 -2.13 0.35 0.00 0.27 0.00 0.00 31.44 30.29 3i1e n GLU 38 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 3i1e h PHE 39 N 0.00 0.44 -0.33 4.31 3.04 -1.64 0.66 116.94 123.42 3i1e h PHE 39 Ca 0.15 0.05 -0.03 0.00 3.98 0.00 0.00 57.97 62.13 3i1e h PHE 39 Cb 0.39 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 3i1e h PHE 39 CO -0.99 -0.27 0.10 0.82 -2.02 0.00 0.00 178.31 175.95 3i1e h ILE 40 N 0.18 1.21 0.32 1.41 1.08 0.25 -2.87 117.51 119.08 3i1e h ILE 40 Ca 0.62 -0.68 -0.02 0.00 -0.39 0.00 0.00 64.86 64.40 3i1e h ILE 40 Cb 1.34 1.04 0.00 0.00 -3.07 0.00 0.00 36.82 36.13 3i1e h ILE 40 CO -0.70 0.23 -0.15 0.44 -0.69 0.00 0.00 178.15 177.28 3i1e h ASP 41 N 0.37 -0.36 -0.75 1.72 3.32 0.29 -0.81 116.42 120.20 3i1e h ASP 41 Ca 0.10 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.24 3i1e h ASP 41 Cb 0.26 0.09 -0.10 0.00 0.22 0.00 0.00 39.33 39.80 3i1e h ASP 41 CO -0.00 -0.22 -0.41 0.00 -1.72 0.00 0.00 179.24 176.89 3i1e n TYR 42 N -3.41 -0.26 0.03 4.55 4.19 0.84 0.14 117.16 123.23 3i1e n TYR 42 Ca -0.05 0.93 -0.11 0.00 3.31 0.00 0.00 57.90 61.98 3i1e n TYR 42 Cb 0.17 -0.60 -0.05 0.00 0.49 0.00 0.00 39.34 39.35 3i1e n TYR 42 CO 0.00 0.00 0.00 0.82 0.91 0.00 0.00 176.86 178.59 3i1e h ILE 43 N 0.00 0.80 0.00 2.97 2.04 -1.56 -1.35 117.51 120.40 3i1e h ILE 43 Ca 0.15 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.01 3i1e h ILE 43 Cb 0.33 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3i1e h ILE 43 CO -0.71 0.00 0.15 1.41 0.00 0.00 0.00 178.15 179.00 3i1e n HIS 44 N -5.20 0.00 -0.09 1.37 8.25 0.36 -0.29 115.22 119.62 3i1e n HIS 44 Ca -0.05 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.30 3i1e n HIS 44 Cb 0.12 -0.31 -0.13 0.00 1.12 0.00 0.00 29.99 30.80 3i1e n HIS 44 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3i1e n SER 45 N -1.29 1.23 -4.55 0.41 3.41 -0.24 -4.79 113.62 107.80 3i1e n SER 45 Ca 0.00 -0.04 -0.28 0.00 -0.26 0.00 0.00 58.87 58.29 3i1e n SER 45 Cb 0.15 0.50 0.23 0.00 -0.26 0.00 0.00 64.21 64.83 3i1e n SER 45 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3i1e s LYS 46 N -2.43 -0.54 0.21 4.33 -0.14 0.60 -5.04 119.74 116.73 3i1e s LYS 46 Ca -0.16 0.69 0.05 0.00 -1.36 0.00 0.00 55.97 55.20 3i1e s LYS 46 Cb 0.06 -1.61 -0.03 0.00 -1.68 0.00 0.00 37.83 34.57 3i1e s LYS 46 CO 0.65 -3.43 0.23 0.21 -0.76 0.00 0.00 175.35 172.25 3i1e s LYS 47 N -4.64 3.13 1.00 1.68 2.20 -1.26 -4.62 119.74 117.23 3i1e s LYS 47 Ca 0.67 -0.85 -0.11 0.00 -0.36 0.00 0.00 55.97 55.33 3i1e s LYS 47 Cb -0.23 -2.74 0.19 0.00 -1.51 0.00 0.00 37.83 33.55 3i1e s LYS 47 CO 0.62 0.45 1.11 0.08 -0.36 0.00 0.00 175.35 177.26 3i1e s VAL 48 N -1.92 2.01 0.00 4.02 1.01 -1.26 -2.63 120.40 121.62 3i1e s VAL 48 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.31 3i1e s VAL 48 Cb -0.09 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.28 3i1e s VAL 48 CO 0.26 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.97 3i1e n GLY 49 N 0.48 0.41 3.56 4.51 0.00 -1.20 -4.93 105.19 108.03 3i1e n GLY 49 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 3i1e n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i1e s ASP 50 N -2.32 1.40 -0.31 1.61 1.11 -1.08 -4.61 116.67 112.47 3i1e s ASP 50 Ca 0.00 1.17 -0.01 0.00 0.18 0.00 0.00 52.55 53.89 3i1e s ASP 50 Cb 0.00 -1.80 0.10 0.00 1.07 0.00 0.00 42.92 42.29 3i1e s ASP 50 CO 0.00 -3.89 0.10 -0.89 1.18 0.00 0.00 175.17 171.68 3i1e s THR 51 N -2.74 0.78 0.29 -1.27 2.01 -1.26 -0.53 115.64 112.93 3i1e s THR 51 Ca 0.68 -1.35 0.04 0.00 0.31 0.00 0.00 61.69 61.36 3i1e s THR 51 Cb -0.19 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 3i1e s THR 51 CO 0.60 -0.69 0.44 0.68 -0.69 0.00 0.00 174.62 174.96 3i1e s VAL 52 N 1.65 5.01 -0.36 3.82 -7.23 -0.08 -4.86 120.40 118.34 3i1e s VAL 52 Ca 0.10 -0.81 -0.14 0.00 -1.81 0.00 0.00 61.98 59.32 3i1e s VAL 52 Cb -0.17 -3.79 -0.01 0.00 0.56 0.00 0.00 36.38 32.98 3i1e s VAL 52 CO -0.26 -0.38 0.27 -0.75 -0.31 0.00 0.00 175.10 173.67 3i1e s LYS 53 N -4.13 3.34 -0.14 4.82 2.47 -1.26 -0.94 119.74 123.90 3i1e s LYS 53 Ca 0.38 -0.74 -0.03 0.00 -1.56 0.00 0.00 55.97 54.02 3i1e s LYS 53 Cb -0.09 -3.86 -0.03 0.00 -1.46 0.00 0.00 37.83 32.39 3i1e s LYS 53 CO 0.32 -0.54 -0.04 0.42 0.16 0.00 0.00 175.35 175.66 3i1e s ILE 54 N 1.74 3.86 -0.37 5.43 1.01 0.11 0.11 121.20 133.09 3i1e s ILE 54 Ca 0.06 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.38 3i1e s ILE 54 Cb -0.18 -2.68 0.11 0.00 0.01 0.00 0.00 42.46 39.72 3i1e s ILE 54 CO 0.11 0.51 0.09 -0.75 0.00 0.00 0.00 174.94 174.89 3i1e s LYS 55 N 0.20 1.56 0.54 2.79 2.20 -0.83 0.67 119.74 126.87 3i1e s LYS 55 Ca -0.02 -2.00 0.08 0.00 -0.36 0.00 0.00 55.97 53.66 3i1e s LYS 55 Cb -0.14 -3.21 0.05 0.00 -1.51 0.00 0.00 37.83 33.03 3i1e s LYS 55 CO 0.03 -0.97 0.57 1.52 -0.36 0.00 0.00 175.35 176.14 3i1e s TYR 56 N 0.69 1.70 -0.16 4.03 1.13 -1.23 -2.32 117.35 121.19 3i1e s TYR 56 Ca 0.12 -0.74 0.00 0.00 -1.41 0.00 0.00 57.07 55.05 3i1e s TYR 56 Cb -0.20 -2.09 0.03 0.00 -1.10 0.00 0.00 41.96 38.61 3i1e s TYR 56 CO -0.07 -0.72 -0.09 0.21 -2.51 0.00 0.00 175.55 172.37 3i1e s LYS 57 N -4.43 1.83 -1.03 -3.49 2.20 -1.15 -1.74 119.74 111.94 3i1e s LYS 57 Ca 0.48 -0.58 -0.14 0.00 -0.36 0.00 0.00 55.97 55.37 3i1e s LYS 57 Cb -0.04 -2.08 0.20 0.00 -1.51 0.00 0.00 37.83 34.39 3i1e s LYS 57 CO 0.30 -0.36 1.13 -1.58 -0.36 0.00 0.00 175.35 174.48 3i1e s HIS 58 N 1.54 3.66 0.00 4.03 5.65 -0.90 -2.84 115.29 126.44 3i1e s HIS 58 Ca 0.02 -2.06 0.00 0.00 0.25 0.00 0.00 55.06 53.27 3i1e s HIS 58 Cb -0.14 -4.08 0.00 0.00 -1.18 0.00 0.00 32.58 27.18 3i1e s HIS 58 CO -0.09 -1.22 0.00 0.41 -0.65 0.00 0.00 174.74 173.20 3i1e n GLY 59 N 4.07 1.91 0.02 1.59 0.00 -1.26 -3.19 105.19 108.34 3i1e n GLY 59 Ca 0.25 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3i1e n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i1e n ASN 60 N 3.63 0.00 -4.82 1.61 6.94 -1.26 -5.12 115.26 116.24 3i1e n ASN 60 Ca 0.00 -0.42 -0.37 0.00 -0.02 0.00 0.00 54.58 53.77 3i1e n ASN 60 Cb 0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 3i1e n ASN 60 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3i1e s LYS 61 N 0.00 3.82 -0.78 -3.83 1.02 -1.19 -5.04 119.74 113.74 3i1e s LYS 61 Ca 0.00 0.03 -0.21 0.00 0.02 0.00 0.00 55.97 55.81 3i1e s LYS 61 Cb 0.00 -3.28 0.09 0.00 -0.52 0.00 0.00 37.83 34.12 3i1e s LYS 61 CO 0.00 0.58 1.06 -0.80 -0.92 0.00 0.00 175.35 175.27 3i1e s ASN 62 N -0.54 6.36 0.08 2.83 0.02 -1.26 -2.11 114.94 120.32 3i1e s ASN 62 Ca 0.16 -1.40 0.01 0.00 -1.02 0.00 0.00 52.86 50.61 3i1e s ASN 62 Cb -0.13 -2.42 0.01 0.00 0.02 0.00 0.00 41.25 38.73 3i1e s ASN 62 CO 0.05 -1.31 0.10 -0.62 0.02 0.00 0.00 177.10 175.34 3i1e n GLU 63 N 7.37 1.04 0.00 -0.60 -0.58 -0.71 -5.04 120.64 122.13 3i1e n GLU 63 Ca 0.09 -0.46 0.00 0.00 -0.42 0.00 0.00 57.16 56.37 3i1e n GLU 63 Cb 0.47 -0.02 0.00 0.00 -0.57 0.00 0.00 31.44 31.33 3i1e n GLU 63 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3i1e n GLU 64 N -1.07 0.00 -3.81 3.49 2.13 -1.26 -3.47 120.64 116.65 3i1e n GLU 64 Ca 0.02 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.80 3i1e n GLU 64 Cb 0.09 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.80 3i1e n GLU 64 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i1e s ALA 65 N -2.00 -1.54 -0.17 4.31 0.00 0.21 -4.97 121.76 117.61 3i1e s ALA 65 Ca 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 51.96 51.82 3i1e s ALA 65 Cb 0.00 0.69 -0.00 0.00 0.00 0.00 0.00 23.12 23.81 3i1e s ALA 65 CO 0.00 -1.05 -0.14 -1.12 0.00 0.00 0.00 175.76 173.45 3i1e s SER 66 N -3.13 3.73 0.05 0.00 0.01 -1.26 0.09 113.70 113.18 3i1e s SER 66 Ca 0.16 -0.46 0.04 0.00 1.31 0.00 0.00 55.95 57.00 3i1e s SER 66 Cb -0.02 -1.59 -0.04 0.00 0.21 0.00 0.00 66.02 64.58 3i1e s SER 66 CO 0.04 0.07 -0.04 -0.63 0.41 0.00 0.00 173.24 173.09 3i1e s ILE 67 N 0.93 3.79 -0.42 1.44 1.01 -0.11 -4.92 121.20 122.92 3i1e s ILE 67 Ca -0.03 -0.90 -0.15 0.00 0.00 0.00 0.00 60.65 59.58 3i1e s ILE 67 Cb -0.15 -2.72 0.03 0.00 0.01 0.00 0.00 42.46 39.63 3i1e s ILE 67 CO -0.02 0.26 0.30 -0.75 0.00 0.00 0.00 174.94 174.74 3i1e s LYS 68 N -1.84 2.95 0.78 2.79 2.20 -1.25 -0.90 119.74 124.46 3i1e s LYS 68 Ca 0.21 -1.09 -0.09 0.00 -0.36 0.00 0.00 55.97 54.65 3i1e s LYS 68 Cb -0.11 -3.97 0.13 0.00 -1.51 0.00 0.00 37.83 32.37 3i1e s LYS 68 CO 0.12 -0.79 0.30 1.28 -0.36 0.00 0.00 175.35 175.90 3i1e n LEU 69 N 5.14 0.00 0.00 5.43 4.77 0.31 -4.61 117.00 128.05 3i1e n LEU 69 Ca -0.11 -0.30 0.01 0.00 -0.03 0.00 0.00 56.01 55.57 3i1e n LEU 69 Cb 0.46 -0.61 0.01 0.00 -2.33 0.00 0.00 43.42 40.95 3i1e n LEU 69 CO 0.41 -2.20 0.80 1.07 -1.33 0.00 0.00 177.39 176.15 3i1e n THR 70 N -3.91 0.00 -3.20 -5.08 5.66 -0.69 -3.22 114.28 103.84 3i1e n THR 70 Ca 0.05 -0.19 -0.46 0.00 -3.05 0.00 0.00 64.05 60.40 3i1e n THR 70 Cb 0.21 0.48 -0.04 0.00 -1.55 0.00 0.00 70.33 69.43 3i1e n THR 70 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i1e s ALA 71 N -1.79 3.64 -1.25 1.79 0.00 -1.23 -0.25 121.76 122.68 3i1e s ALA 71 Ca 0.22 -2.64 0.10 0.00 0.00 0.00 0.00 51.96 49.64 3i1e s ALA 71 Cb -0.01 -3.51 0.48 0.00 0.00 0.00 0.00 23.12 20.08 3i1e s ALA 71 CO 0.01 -2.31 1.26 0.44 0.00 0.00 0.00 175.76 175.15 3i1e n ILE 72 N 5.07 0.99 0.00 0.00 -0.00 -1.24 -4.67 119.36 119.51 3i1e n ILE 72 Ca -0.01 0.25 0.00 0.00 -0.00 0.00 0.00 62.75 62.98 3i1e n ILE 72 Cb 0.44 -1.08 0.00 0.00 -0.00 0.00 0.00 39.64 39.00 3i1e n ILE 72 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 3i1e n ASP 73 N -1.37 0.00 0.00 7.28 3.85 -1.26 -5.04 116.55 120.00 3i1e n ASP 73 Ca 0.04 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.12 3i1e n ASP 73 Cb 0.10 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.87 3i1e n ASP 73 CO 0.00 0.00 0.00 2.29 -1.01 0.00 0.00 177.20 178.48 3i1e n LYS 74 N 0.00 1.82 0.00 0.11 2.85 -1.26 -4.65 118.16 117.03 3i1e n LYS 74 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3i1e n LYS 74 Cb 0.00 -0.86 0.00 0.00 -0.65 0.00 0.00 35.03 33.52 3i1e n LYS 74 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3i1e n LYS 75 N -1.13 0.93 -0.99 -1.58 4.76 -1.26 -4.82 118.16 114.07 3i1e n LYS 75 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3i1e n LYS 75 Cb 0.04 -1.03 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 3i1e n LYS 75 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i1e n GLY 76 N 0.41 0.25 3.53 0.72 0.00 -1.26 -4.96 105.19 103.88 3i1e n GLY 76 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3i1e n GLY 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i1e n THR 77 N -2.47 2.51 -2.70 2.61 -1.04 -1.26 -4.55 114.28 107.38 3i1e n THR 77 Ca 0.00 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.08 3i1e n THR 77 Cb 0.25 -0.86 -0.02 0.00 -1.82 0.00 0.00 70.33 67.87 3i1e n THR 77 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3i1e s PRO 78 N -2.12 4.18 0.20 -2.82 0.04 -1.26 -3.48 135.00 129.76 3i1e s PRO 78 Ca 0.68 1.19 -0.10 0.00 0.04 0.00 0.00 61.00 62.81 3i1e s PRO 78 Cb -0.49 -3.67 -0.01 0.00 0.04 0.00 0.00 34.50 30.37 3i1e s PRO 78 CO 0.54 -0.69 0.36 0.20 0.04 0.00 0.00 177.00 177.45 3i1e s GLY 79 N 1.36 0.57 -0.04 0.56 0.00 0.66 -3.80 107.32 106.63 3i1e s GLY 79 Ca 0.43 -0.92 0.18 0.00 0.00 0.00 0.00 44.72 44.40 3i1e s GLY 79 CO 0.09 -0.77 0.53 1.39 0.00 0.00 0.00 173.10 174.34 3i1e n ILE 80 N -0.30 1.10 -0.81 0.90 5.41 -1.26 -1.70 119.36 122.70 3i1e n ILE 80 Ca -0.04 -0.72 0.00 0.00 1.00 0.00 0.00 62.75 62.99 3i1e n ILE 80 Cb 0.63 -0.57 0.00 0.00 -0.71 0.00 0.00 39.64 38.99 3i1e n ILE 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i1e n GLY 81 N 1.50 1.12 3.61 7.39 0.00 -1.26 -4.77 105.19 112.78 3i1e n GLY 81 Ca -0.17 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 3i1e n GLY 81 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i1e s ILE 82 N -2.24 1.78 -0.09 -0.61 -4.36 -1.26 -3.64 121.20 110.77 3i1e s ILE 82 Ca 0.00 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.43 3i1e s ILE 82 Cb 0.00 -2.88 0.00 0.00 1.25 0.00 0.00 42.46 40.83 3i1e s ILE 82 CO 0.00 0.00 -0.23 -0.76 0.24 0.00 0.00 174.94 174.19 3i1e s LEU 83 N -3.69 2.04 0.41 0.37 1.02 -1.20 -4.96 118.68 112.66 3i1e s LEU 83 Ca 0.32 -0.53 0.00 0.00 0.02 0.00 0.00 54.13 53.95 3i1e s LEU 83 Cb 0.09 -1.34 -0.02 0.00 0.02 0.00 0.00 46.19 44.94 3i1e s LEU 83 CO 0.16 0.15 0.63 -0.70 0.02 0.00 0.00 176.35 176.61 3i1e s GLU 84 N 0.37 3.25 0.13 1.70 2.12 -1.26 -0.10 118.70 124.90 3i1e s GLU 84 Ca -0.18 -0.41 0.14 0.00 0.36 0.00 0.00 54.97 54.89 3i1e s GLU 84 Cb -0.18 -2.59 -0.10 0.00 0.26 0.00 0.00 34.13 31.53 3i1e s GLU 84 CO 0.08 -0.11 1.07 1.25 -0.54 0.00 0.00 175.26 177.01 3i1e h HIS 85 N 0.53 0.00 -4.26 5.30 -0.00 -1.92 -3.46 115.15 111.33 3i1e h HIS 85 Ca -0.47 0.00 -0.52 0.00 -0.00 0.00 0.00 60.37 59.38 3i1e h HIS 85 Cb 1.24 0.00 0.17 0.00 -0.00 0.00 0.00 27.41 28.81 3i1e h HIS 85 CO 0.48 0.66 0.29 -1.58 -0.00 0.00 0.00 177.93 177.78 3i1e s HIS 86 N -2.87 2.02 -0.03 5.26 5.04 -1.26 -5.04 115.29 118.41 3i1e s HIS 86 Ca -0.00 1.68 0.06 0.00 -1.54 0.00 0.00 55.06 55.25 3i1e s HIS 86 Cb 0.08 -3.27 -0.01 0.00 0.04 0.00 0.00 32.58 29.42 3i1e s HIS 86 CO 0.79 -2.42 -0.20 -1.01 -2.34 0.00 0.00 174.74 169.56 3i1e s HIS 87 N -2.59 1.91 0.00 3.88 3.76 -1.26 -5.07 115.29 115.92 3i1e s HIS 87 Ca 0.67 -0.46 0.00 0.00 -0.15 0.00 0.00 55.06 55.11 3i1e s HIS 87 Cb -0.22 -1.25 0.00 0.00 1.11 0.00 0.00 32.58 32.22 3i1e s HIS 87 CO 0.54 -0.11 0.00 1.58 -0.85 0.00 0.00 174.74 175.90 3i1e n HIS 88 N 2.83 -1.73 0.83 1.40 -0.00 -1.26 -3.71 115.22 113.58 3i1e n HIS 88 Ca -0.17 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.62 3i1e n HIS 88 Cb 0.53 0.27 0.19 0.00 -0.00 0.00 0.00 29.99 30.98 3i1e n HIS 88 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3i1e n HIS 89 N -1.47 0.48 0.00 1.57 -0.00 -1.26 -4.98 115.22 109.55 3i1e n HIS 89 Ca 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 57.72 57.48 3i1e n HIS 89 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3i1e n HIS 89 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06