#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jtn s ILE 3 N 0.00 3.64 -0.04 0.53 1.01 -0.95 -4.99 121.20 120.39 3jtn s ILE 3 Ca 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.19 3jtn s ILE 3 Cb 0.00 -2.53 0.02 0.00 0.01 0.00 0.00 42.46 39.95 3jtn s ILE 3 CO 0.00 0.55 -0.07 -0.63 0.00 0.00 0.00 174.94 174.79 3jtn s ILE 4 N -0.19 0.67 0.12 2.92 1.01 -1.26 -0.13 121.20 124.33 3jtn s ILE 4 Ca 0.02 -0.23 0.06 0.00 0.00 0.00 0.00 60.65 60.50 3jtn s ILE 4 Cb -0.13 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 3jtn s ILE 4 CO 0.03 0.24 -0.15 -0.31 0.00 0.00 0.00 174.94 174.75 3jtn s TYR 5 N 0.64 1.46 0.18 3.97 4.12 -0.12 -3.50 117.35 124.10 3jtn s TYR 5 Ca -0.10 -0.51 0.09 0.00 0.02 0.00 0.00 57.07 56.57 3jtn s TYR 5 Cb -0.13 -0.77 -0.04 0.00 -1.52 0.00 0.00 41.96 39.50 3jtn s TYR 5 CO 0.01 0.16 -0.10 1.14 0.02 0.00 0.00 175.55 176.77 3jtn s GLN 6 N -2.44 2.04 -0.01 -0.62 -2.07 0.54 -1.04 119.66 116.06 3jtn s GLN 6 Ca 0.07 -1.28 0.02 0.00 -1.82 0.00 0.00 55.36 52.36 3jtn s GLN 6 Cb -0.06 -2.15 -0.00 0.00 -1.09 0.00 0.00 33.01 29.71 3jtn s GLN 6 CO 0.03 0.43 -0.08 -0.06 -1.32 0.00 0.00 175.29 174.30 3jtn s PHE 7 N -1.69 0.74 -1.00 9.60 0.08 0.01 -1.01 117.98 124.71 3jtn s PHE 7 Ca 0.25 -0.15 0.18 0.00 0.12 0.00 0.00 56.93 57.33 3jtn s PHE 7 Cb -0.09 -0.49 0.79 0.00 -0.57 0.00 0.00 43.02 42.65 3jtn s PHE 7 CO 0.15 -0.03 1.59 -2.39 -0.10 0.00 0.00 175.22 174.44 3jtn n HIS 8 N 2.97 0.00 -3.54 0.36 1.44 -1.26 -3.10 115.22 112.10 3jtn n HIS 8 Ca -0.14 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.45 3jtn n HIS 8 Cb 0.57 -0.50 -0.04 0.00 0.12 0.00 0.00 29.99 30.14 3jtn n HIS 8 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 3jtn s SER 9 N -3.01 -0.41 0.37 4.39 1.04 -1.26 -4.91 113.70 109.92 3jtn s SER 9 Ca 0.09 -0.09 0.15 0.00 0.48 0.00 0.00 55.95 56.58 3jtn s SER 9 Cb 0.12 0.53 0.72 0.00 0.10 0.00 0.00 66.02 67.48 3jtn s SER 9 CO 0.34 -0.87 1.79 0.15 0.98 0.00 0.00 173.24 175.62 3jtn h PHE 10 N 2.30 0.00 -0.66 5.02 3.57 -1.96 -2.98 116.94 122.22 3jtn h PHE 10 Ca -0.33 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.28 3jtn h PHE 10 Cb 1.27 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.93 3jtn h PHE 10 CO 0.29 0.39 0.24 0.93 -2.23 0.00 0.00 178.31 177.94 3jtn h GLU 11 N 0.00 0.39 -0.50 1.11 5.08 -1.99 -0.67 114.58 118.00 3jtn h GLU 11 Ca -0.00 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3jtn h GLU 11 Cb 0.76 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 3jtn h GLU 11 CO 0.05 0.26 0.33 -0.44 -1.00 0.00 0.00 179.01 178.21 3jtn h ASP 12 N 0.40 0.49 0.56 1.42 3.32 -1.85 0.22 116.42 120.98 3jtn h ASP 12 Ca 0.35 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.20 3jtn h ASP 12 Cb 0.48 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3jtn h ASP 12 CO -0.36 0.34 -0.83 0.40 -1.72 0.00 0.00 179.24 177.08 3jtn h ILE 13 N 0.57 1.48 0.29 0.35 2.04 -1.34 0.33 117.51 121.24 3jtn h ILE 13 Ca 0.20 -2.53 -0.01 0.00 1.00 0.00 0.00 64.86 63.52 3jtn h ILE 13 Cb 0.09 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3jtn h ILE 13 CO -0.05 0.74 -0.14 0.40 0.00 0.00 0.00 178.15 179.10 3jtn h ILE 14 N 0.11 0.75 -0.32 -0.67 2.04 0.20 -1.01 117.51 118.61 3jtn h ILE 14 Ca -0.04 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3jtn h ILE 14 Cb 1.44 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 3jtn h ILE 14 CO 0.13 0.07 0.16 1.56 0.00 0.00 0.00 178.15 180.06 3jtn h GLN 15 N -0.55 0.45 -0.81 2.37 4.20 -0.56 -2.81 115.11 117.39 3jtn h GLN 15 Ca -0.04 -0.06 0.17 0.00 0.06 0.00 0.00 58.65 58.78 3jtn h GLN 15 Cb 0.41 -0.08 -0.11 0.00 0.30 0.00 0.00 27.48 28.00 3jtn h GLN 15 CO 0.07 0.40 0.34 1.25 -0.67 0.00 0.00 178.83 180.21 3jtn h LEU 16 N 0.38 0.30 -1.33 1.46 5.85 -0.31 -2.55 115.31 119.11 3jtn h LEU 16 Ca 0.11 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3jtn h LEU 16 Cb 0.09 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3jtn h LEU 16 CO -0.02 0.08 0.00 0.77 -0.34 0.00 0.00 178.44 178.93 3jtn h SER 17 N 0.44 0.00 -0.35 1.25 4.64 -0.90 -0.86 113.55 117.77 3jtn h SER 17 Ca 0.47 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.75 3jtn h SER 17 Cb 0.77 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 3jtn h SER 17 CO -0.45 0.00 0.10 -0.33 -0.87 0.00 0.00 176.83 175.28 3jtn h GLU 18 N 0.00 0.55 -0.26 4.77 4.39 -1.53 0.34 114.58 122.85 3jtn h GLU 18 Ca 0.00 -0.13 -0.16 0.00 0.34 0.00 0.00 59.36 59.41 3jtn h GLU 18 Cb 0.32 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3jtn h GLU 18 CO 0.00 0.59 -0.48 0.77 -1.16 0.00 0.00 179.01 178.73 3jtn h SER 19 N 0.41 0.77 -0.08 1.42 0.02 -1.33 -1.26 113.55 113.51 3jtn h SER 19 Ca 0.11 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 3jtn h SER 19 Cb 0.28 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 3jtn h SER 19 CO -0.00 1.12 0.01 -0.07 -1.14 0.00 0.00 176.83 176.75 3jtn h LEU 20 N 0.56 0.13 -0.59 5.07 3.38 -1.05 0.10 115.31 122.89 3jtn h LEU 20 Ca 0.03 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3jtn h LEU 20 Cb 1.04 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 3jtn h LEU 20 CO 0.10 0.36 0.36 -0.61 0.09 0.00 0.00 178.44 178.74 3jtn h GLN 21 N -0.11 0.80 -0.63 1.13 4.15 -0.04 0.35 115.11 120.75 3jtn h GLN 21 Ca 0.02 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 3jtn h GLN 21 Cb 0.29 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 3jtn h GLN 21 CO 0.00 0.57 0.23 -0.09 -1.93 0.00 0.00 178.83 177.61 3jtn h ARG 22 N 0.80 0.94 0.00 1.69 2.43 -1.11 -0.01 114.38 119.12 3jtn h ARG 22 Ca 0.21 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3jtn h ARG 22 Cb -0.03 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 3jtn h ARG 22 CO -0.04 0.78 0.00 -0.89 -1.51 0.00 0.00 179.97 178.31 3jtn n ILE 23 N -4.30 0.38 -0.35 1.20 2.08 0.01 -4.86 119.36 113.52 3jtn n ILE 23 Ca 0.05 0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.46 3jtn n ILE 23 Cb 0.19 -0.75 0.00 0.00 -0.75 0.00 0.00 39.64 38.33 3jtn n ILE 23 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3jtn n GLY 24 N 0.49 0.68 3.47 7.39 0.00 -0.02 -4.99 105.19 112.22 3jtn n GLY 24 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3jtn n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jtn s ILE 25 N -2.68 4.72 0.00 -0.61 1.01 0.11 -4.81 121.20 118.94 3jtn s ILE 25 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.44 3jtn s ILE 25 Cb 0.00 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 38.11 3jtn s ILE 25 CO 0.00 -0.88 0.96 0.35 0.00 0.00 0.00 174.94 175.37 3jtn n THR 26 N 5.81 0.92 0.00 2.92 -2.24 -1.26 -2.57 114.28 117.86 3jtn n THR 26 Ca -0.04 -0.95 0.00 0.00 -2.27 0.00 0.00 64.05 60.79 3jtn n THR 26 Cb 0.46 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 3jtn n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jtn n GLY 27 N -0.46 0.89 0.00 3.38 0.00 -1.26 -1.42 105.19 106.32 3jtn n GLY 27 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3jtn n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jtn n GLY 28 N 5.00 -0.50 3.06 -0.02 0.00 -1.20 -0.84 105.19 110.69 3jtn n GLY 28 Ca 0.00 -1.53 -0.26 0.00 0.00 0.00 0.00 46.02 44.23 3jtn n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jtn s THR 29 N -3.07 1.29 -0.15 2.61 2.01 0.82 -0.17 115.64 118.99 3jtn s THR 29 Ca 0.00 -0.57 -0.04 0.00 0.31 0.00 0.00 61.69 61.39 3jtn s THR 29 Cb 0.00 -1.17 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 3jtn s THR 29 CO 0.00 0.39 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.61 3jtn s VAL 30 N 0.60 4.02 0.05 3.82 1.01 -0.46 -0.38 120.40 129.07 3jtn s VAL 30 Ca -0.15 -0.32 0.09 0.00 0.00 0.00 0.00 61.98 61.59 3jtn s VAL 30 Cb -0.16 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 3jtn s VAL 30 CO 0.05 0.51 -0.23 -0.31 0.00 0.00 0.00 175.10 175.12 3jtn s TYR 31 N 0.15 2.43 -0.27 5.22 2.02 0.81 0.37 117.35 128.09 3jtn s TYR 31 Ca -0.01 -0.34 -0.07 0.00 -0.37 0.00 0.00 57.07 56.28 3jtn s TYR 31 Cb -0.13 -1.40 -0.02 0.00 -0.40 0.00 0.00 41.96 40.00 3jtn s TYR 31 CO 0.02 0.21 0.08 -1.58 -1.57 0.00 0.00 175.55 172.72 3jtn s HIS 32 N -0.89 3.10 -0.03 2.71 5.65 0.65 0.90 115.29 127.38 3jtn s HIS 32 Ca 0.13 -0.57 -0.02 0.00 0.25 0.00 0.00 55.06 54.85 3jtn s HIS 32 Cb -0.10 -2.25 0.02 0.00 -1.18 0.00 0.00 32.58 29.06 3jtn s HIS 32 CO 0.04 -0.42 0.08 -0.47 -0.65 0.00 0.00 174.74 173.33 3jtn s TYR 33 N 1.59 -0.09 -1.48 3.88 5.04 0.32 0.21 117.35 126.82 3jtn s TYR 33 Ca 0.05 0.25 -0.07 0.00 -2.44 0.00 0.00 57.07 54.87 3jtn s TYR 33 Cb -0.16 -0.02 0.05 0.00 0.35 0.00 0.00 41.96 42.19 3jtn s TYR 33 CO 0.04 -0.07 0.64 -3.47 -1.34 0.00 0.00 175.55 171.35 3jtn n ASP 34 N 3.35 -1.90 0.00 4.32 2.03 -1.26 -0.65 116.55 122.43 3jtn n ASP 34 Ca -0.16 -0.94 0.00 0.00 0.52 0.00 0.00 54.79 54.21 3jtn n ASP 34 Cb 0.57 -3.29 0.00 0.00 -0.72 0.00 0.00 41.12 37.68 3jtn n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3jtn n GLY 35 N -1.74 1.71 3.56 0.27 0.00 -1.26 -4.99 105.19 102.75 3jtn n GLY 35 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 3jtn n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jtn s GLN 36 N -0.04 2.00 -0.12 1.61 1.11 0.17 -4.96 119.66 119.43 3jtn s GLN 36 Ca 0.00 -1.60 -0.04 0.00 0.01 0.00 0.00 55.36 53.74 3jtn s GLN 36 Cb 0.00 -1.97 -0.03 0.00 -1.01 0.00 0.00 33.01 30.00 3jtn s GLN 36 CO 0.00 0.34 0.01 0.71 0.01 0.00 0.00 175.29 176.36 3jtn s TYR 37 N -2.42 3.17 -0.02 0.91 2.02 -1.18 -0.52 117.35 119.30 3jtn s TYR 37 Ca 0.31 0.08 0.07 0.00 -0.37 0.00 0.00 57.07 57.16 3jtn s TYR 37 Cb -0.05 -1.89 -0.02 0.00 -0.40 0.00 0.00 41.96 39.60 3jtn s TYR 37 CO 0.18 0.31 -0.25 -0.06 -1.57 0.00 0.00 175.55 174.16 3jtn s PHE 38 N -0.38 2.38 -0.20 2.71 0.08 0.26 -0.81 117.98 122.01 3jtn s PHE 38 Ca 0.08 -0.41 -0.02 0.00 0.12 0.00 0.00 56.93 56.70 3jtn s PHE 38 Cb -0.12 -1.52 0.01 0.00 -0.57 0.00 0.00 43.02 40.82 3jtn s PHE 38 CO 0.02 -0.01 -0.12 -1.17 -0.10 0.00 0.00 175.22 173.84 3jtn s LEU 39 N -0.62 2.53 -0.18 -0.37 2.96 -0.21 -0.13 118.68 122.66 3jtn s LEU 39 Ca 0.10 -0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 53.45 3jtn s LEU 39 Cb -0.10 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 3jtn s LEU 39 CO -0.01 -0.01 -0.02 -0.55 -1.32 0.00 0.00 176.35 174.44 3jtn s SER 40 N 1.39 4.81 -0.30 3.68 0.15 0.49 -0.95 113.70 122.97 3jtn s SER 40 Ca 0.05 -0.17 -0.01 0.00 0.70 0.00 0.00 55.95 56.52 3jtn s SER 40 Cb -0.14 -1.80 0.05 0.00 -1.71 0.00 0.00 66.02 62.42 3jtn s SER 40 CO -0.08 0.12 -0.01 -0.76 1.20 0.00 0.00 173.24 173.71 3jtn s LEU 41 N 0.68 3.87 0.08 3.45 1.43 0.81 -0.12 118.68 128.88 3jtn s LEU 41 Ca -0.01 -1.29 -0.13 0.00 -1.03 0.00 0.00 54.13 51.67 3jtn s LEU 41 Cb -0.14 -1.70 -0.21 0.00 0.03 0.00 0.00 46.19 44.17 3jtn s LEU 41 CO 0.02 -0.26 1.22 -0.33 0.23 0.00 0.00 176.35 177.23 3jtn h GLU 42 N 7.98 0.70 -4.96 1.70 4.39 -1.97 -2.46 114.58 119.95 3jtn h GLU 42 Ca -0.21 -0.72 -0.36 0.00 0.34 0.00 0.00 59.36 58.41 3jtn h GLU 42 Cb 1.06 0.20 -0.22 0.00 -0.10 0.00 0.00 28.75 29.68 3jtn h GLU 42 CO 0.53 1.30 -0.76 0.34 -1.16 0.00 0.00 179.01 179.26 3jtn s ASP 43 N -7.25 1.27 -0.05 1.42 2.15 -1.26 -4.01 116.67 108.94 3jtn s ASP 43 Ca -0.10 -0.52 0.16 0.00 0.43 0.00 0.00 52.55 52.52 3jtn s ASP 43 Cb 0.07 -0.03 0.50 0.00 -0.30 0.00 0.00 42.92 43.16 3jtn s ASP 43 CO 0.92 -0.10 1.42 0.18 -0.17 0.00 0.00 175.17 177.42 3jtn n LEU 44 N 1.59 3.67 -2.75 -1.34 4.32 -1.26 -4.89 117.00 116.34 3jtn n LEU 44 Ca -0.21 -2.24 -0.21 0.00 -0.02 0.00 0.00 56.01 53.34 3jtn n LEU 44 Cb 0.55 -0.40 0.03 0.00 -1.62 0.00 0.00 43.42 41.97 3jtn n LEU 44 CO 0.22 0.79 -0.04 0.61 -1.22 0.00 0.00 177.39 177.75 3jtn n GLY 45 N 0.73 -0.45 1.50 -0.72 0.00 -1.26 -1.84 105.19 103.16 3jtn n GLY 45 Ca 0.19 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3jtn n GLY 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jtn n SER 46 N -2.19 -0.61 -4.96 1.61 3.41 -1.26 -4.91 113.62 104.70 3jtn n SER 46 Ca -0.13 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.26 3jtn n SER 46 Cb 0.63 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3jtn n SER 46 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3jtn s HIS 47 N -2.73 3.23 0.22 7.33 3.76 -0.76 -5.09 115.29 121.25 3jtn s HIS 47 Ca 0.00 0.08 -0.17 0.00 -0.15 0.00 0.00 55.06 54.82 3jtn s HIS 47 Cb 0.00 -2.11 -0.08 0.00 1.11 0.00 0.00 32.58 31.50 3jtn s HIS 47 CO 0.00 -0.14 0.68 0.99 -0.85 0.00 0.00 174.74 175.42 3jtn s THR 48 N -2.37 4.66 0.20 1.30 2.01 -1.26 -4.76 115.64 115.43 3jtn s THR 48 Ca 0.45 1.10 -0.11 0.00 0.31 0.00 0.00 61.69 63.45 3jtn s THR 48 Cb -0.10 -3.79 0.16 0.00 0.01 0.00 0.00 72.50 68.78 3jtn s THR 48 CO 0.35 0.15 1.69 0.00 -0.69 0.00 0.00 174.62 176.12 3jtn h ALA 49 N 3.25 0.63 -0.90 7.40 0.00 -1.98 -0.16 119.26 127.50 3jtn h ALA 49 Ca -0.48 0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.66 3jtn h ALA 49 Cb 1.19 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 19.13 3jtn h ALA 49 CO 0.65 -0.34 0.58 0.93 0.00 0.00 0.00 179.25 181.08 3jtn h GLU 50 N 0.20 0.90 -0.20 0.00 4.39 -1.98 0.64 114.58 118.54 3jtn h GLU 50 Ca 0.30 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.76 3jtn h GLU 50 Cb 0.45 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3jtn h GLU 50 CO -0.42 0.59 -0.61 0.78 -1.16 0.00 0.00 179.01 178.20 3jtn h GLY 51 N 0.92 0.73 0.88 -3.84 0.00 -1.53 -1.21 103.07 99.02 3jtn h GLY 51 Ca 0.41 -0.89 -0.13 0.00 0.00 0.00 0.00 47.33 46.71 3jtn h GLY 51 CO -0.17 0.80 -0.44 -2.08 0.00 0.00 0.00 176.54 174.65 3jtn h VAL 52 N 0.49 1.36 -0.13 4.60 2.07 -0.18 -2.95 116.25 121.51 3jtn h VAL 52 Ca -0.00 -1.73 -0.04 0.00 0.82 0.00 0.00 66.70 65.75 3jtn h VAL 52 Cb 1.19 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 3jtn h VAL 52 CO 0.12 0.52 -0.09 0.58 0.02 0.00 0.00 177.57 178.72 3jtn h VAL 53 N 0.16 1.14 -0.17 2.57 2.07 0.23 0.30 116.25 122.55 3jtn h VAL 53 Ca -0.02 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 66.94 3jtn h VAL 53 Cb 1.07 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 3jtn h VAL 53 CO 0.09 0.19 -0.13 0.00 0.02 0.00 0.00 177.57 177.74 3jtn h ALA 54 N 1.73 -0.01 -0.43 1.67 0.00 -1.16 0.23 119.26 121.29 3jtn h ALA 54 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3jtn h ALA 54 Cb 0.28 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3jtn h ALA 54 CO 0.01 -0.57 0.28 0.28 0.00 0.00 0.00 179.25 179.26 3jtn h VAL 55 N -0.14 1.11 -0.30 0.00 2.07 -0.99 -3.17 116.25 114.84 3jtn h VAL 55 Ca 0.10 -0.22 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 3jtn h VAL 55 Cb 0.29 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3jtn h VAL 55 CO -0.25 0.11 -0.24 -0.07 0.02 0.00 0.00 177.57 177.13 3jtn h LEU 56 N 0.58 0.59 -1.96 2.57 3.38 0.14 -3.07 115.31 117.54 3jtn h LEU 56 Ca 0.16 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3jtn h LEU 56 Cb -0.06 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3jtn h LEU 56 CO -0.03 0.82 -0.10 0.00 0.09 0.00 0.00 178.44 179.21 3jtn h ALA 57 N 1.23 1.27 -0.57 1.53 0.00 -0.52 0.10 119.26 122.29 3jtn h ALA 57 Ca 0.07 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3jtn h ALA 57 Cb 0.69 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3jtn h ALA 57 CO 0.05 0.13 0.00 0.93 0.00 0.00 0.00 179.25 180.37 3jtn h GLU 58 N 0.00 1.01 0.00 0.00 3.07 -1.61 -3.30 114.58 113.74 3jtn h GLU 58 Ca -0.00 -0.32 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 3jtn h GLU 58 Cb 0.31 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 3jtn h GLU 58 CO 0.01 1.00 -1.67 0.66 -1.40 0.00 0.00 179.01 177.61 3jtn n TYR 59 N -4.23 0.04 -3.27 4.33 4.01 -0.76 -5.05 117.16 112.22 3jtn n TYR 59 Ca 0.02 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 3jtn n TYR 59 Cb 0.34 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 3jtn n TYR 59 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3jtn n GLY 60 N 1.32 3.35 3.07 2.72 0.00 0.29 -4.65 105.19 111.28 3jtn n GLY 60 Ca -0.02 -1.29 -0.09 0.00 0.00 0.00 0.00 46.02 44.63 3jtn n GLY 60 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jtn s ASN 61 N -0.36 0.26 0.97 1.61 0.01 -0.18 -4.35 114.94 112.90 3jtn s ASN 61 Ca 0.00 -0.61 -0.12 0.00 -0.71 0.00 0.00 52.86 51.42 3jtn s ASN 61 Cb 0.00 0.18 0.13 0.00 0.41 0.00 0.00 41.25 41.97 3jtn s ASN 61 CO 0.00 -0.46 0.83 -2.65 -1.51 0.00 0.00 177.10 173.31 3jtn n PRO 62 N 0.90 -0.73 -3.85 -0.60 -0.02 -1.26 -0.34 135.00 129.10 3jtn n PRO 62 Ca -0.20 -0.16 -0.12 0.00 -2.02 0.00 0.00 63.50 61.00 3jtn n PRO 62 Cb 0.58 -2.15 -0.14 0.00 -0.02 0.00 0.00 33.50 31.77 3jtn n PRO 62 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3jtn s THR 63 N -2.51 -0.01 -1.85 3.45 -1.32 -1.23 -4.48 115.64 107.69 3jtn s THR 63 Ca 0.63 0.03 0.29 0.00 -1.21 0.00 0.00 61.69 61.43 3jtn s THR 63 Cb -0.22 -0.04 0.49 0.00 -1.51 0.00 0.00 72.50 71.23 3jtn s THR 63 CO 0.62 0.01 1.83 0.35 -2.21 0.00 0.00 174.62 175.23 3jtn n THR 64 N 3.22 0.00 -1.45 5.08 -2.24 -1.26 -4.86 114.28 112.77 3jtn n THR 64 Ca -0.14 -0.10 -0.37 0.00 -2.27 0.00 0.00 64.05 61.17 3jtn n THR 64 Cb 0.59 0.04 0.07 0.00 -2.10 0.00 0.00 70.33 68.93 3jtn n THR 64 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3jtn n LEU 65 N -0.71 2.88 -4.89 3.22 7.99 -1.26 -4.97 117.00 119.26 3jtn n LEU 65 Ca 0.16 0.71 -0.30 0.00 -0.01 0.00 0.00 56.01 56.56 3jtn n LEU 65 Cb 0.28 -1.34 -0.04 0.00 -0.11 0.00 0.00 43.42 42.21 3jtn n LEU 65 CO 0.22 -2.26 0.14 0.42 -1.51 0.00 0.00 177.39 174.40 3jtn s THR 66 N -1.71 5.05 0.46 -5.08 -4.23 -1.26 -4.94 115.64 103.93 3jtn s THR 66 Ca 0.73 0.15 0.12 0.00 -1.18 0.00 0.00 61.69 61.51 3jtn s THR 66 Cb -0.38 -3.66 0.24 0.00 1.34 0.00 0.00 72.50 70.04 3jtn s THR 66 CO 0.50 -0.11 2.07 -0.29 -0.54 0.00 0.00 174.62 176.25 3jtn h ILE 67 N 1.80 1.07 -0.39 2.99 6.09 -1.99 -2.06 117.51 125.03 3jtn h ILE 67 Ca -0.47 -0.25 -0.02 0.00 -1.37 0.00 0.00 64.86 62.76 3jtn h ILE 67 Cb 1.17 0.90 -0.02 0.00 0.47 0.00 0.00 36.82 39.35 3jtn h ILE 67 CO 0.69 0.09 0.18 0.22 -3.07 0.00 0.00 178.15 176.26 3jtn h TYR 68 N 0.22 0.57 -0.39 2.19 3.20 -1.99 0.20 116.97 120.97 3jtn h TYR 68 Ca 0.06 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.91 3jtn h TYR 68 Cb 0.07 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 3jtn h TYR 68 CO 0.00 0.48 0.22 -0.09 -1.64 0.00 0.00 178.16 177.14 3jtn h ARG 69 N 0.49 0.43 -0.28 1.82 9.65 -1.87 0.11 114.38 124.73 3jtn h ARG 69 Ca 0.13 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 3jtn h ARG 69 Cb 0.14 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 3jtn h ARG 69 CO -0.02 0.29 0.18 -0.07 2.80 0.00 0.00 179.97 183.16 3jtn h LEU 70 N 0.45 0.31 -0.79 3.80 3.38 -0.71 0.46 115.31 122.21 3jtn h LEU 70 Ca 0.16 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 3jtn h LEU 70 Cb 0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3jtn h LEU 70 CO -0.08 0.23 0.14 1.56 0.09 0.00 0.00 178.44 180.37 3jtn h GLN 71 N 0.37 1.05 0.00 1.13 1.08 -0.47 0.33 115.11 118.60 3jtn h GLN 71 Ca 0.10 -0.25 -0.13 0.00 -1.45 0.00 0.00 58.65 56.92 3jtn h GLN 71 Cb -0.04 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.24 3jtn h GLN 71 CO -0.03 0.94 -0.70 0.93 -0.95 0.00 0.00 178.83 179.02 3jtn h GLU 72 N 0.99 0.00 0.00 1.46 4.39 -0.24 -3.39 114.58 117.80 3jtn h GLU 72 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 3jtn h GLU 72 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3jtn h GLU 72 CO 0.01 0.55 -0.03 0.66 -1.16 0.00 0.00 179.01 179.03 3jtn n TYR 73 N -3.20 0.00 -4.00 4.33 4.01 0.16 -5.06 117.16 113.40 3jtn n TYR 73 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.46 3jtn n TYR 73 Cb 0.78 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.76 3jtn n TYR 73 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3jtn s GLY 74 N -0.53 1.86 0.00 2.72 0.00 0.12 -4.84 107.32 106.64 3jtn s GLY 74 Ca 0.00 -1.05 -0.30 0.00 0.00 0.00 0.00 44.72 43.37 3jtn s GLY 74 CO 0.00 -1.05 1.03 1.25 0.00 0.00 0.00 173.10 174.33 3jtn s LYS 75 N -2.90 4.52 -0.37 2.90 2.47 0.13 -4.69 119.74 121.81 3jtn s LYS 75 Ca 0.32 1.49 -0.24 0.00 -1.56 0.00 0.00 55.97 55.99 3jtn s LYS 75 Cb -0.11 -3.45 0.01 0.00 -1.46 0.00 0.00 37.83 32.82 3jtn s LYS 75 CO 0.26 -0.12 0.83 -1.17 0.16 0.00 0.00 175.35 175.31 3jtn s LEU 76 N 1.14 4.08 -0.17 5.43 2.96 -1.26 -0.25 118.68 130.60 3jtn s LEU 76 Ca 0.53 0.43 -0.08 0.00 -0.22 0.00 0.00 54.13 54.79 3jtn s LEU 76 Cb -0.22 -3.11 -0.22 0.00 0.50 0.00 0.00 46.19 43.14 3jtn s LEU 76 CO 0.27 -0.78 0.17 -0.38 -1.32 0.00 0.00 176.35 174.31 3jtn n ILE 77 N 5.86 1.66 -3.72 6.68 2.08 0.16 -4.95 119.36 127.12 3jtn n ILE 77 Ca 0.04 -0.51 -0.12 0.00 0.56 0.00 0.00 62.75 62.73 3jtn n ILE 77 Cb 0.48 -1.74 -0.12 0.00 -0.75 0.00 0.00 39.64 37.52 3jtn n ILE 77 CO 0.00 0.00 0.00 -0.04 0.56 0.00 0.00 176.55 177.07 3jtn s MET 78 N -2.51 0.32 -0.55 0.38 1.00 -0.94 -4.93 119.30 112.07 3jtn s MET 78 Ca -0.27 0.61 -0.19 0.00 0.00 0.00 0.00 55.69 55.83 3jtn s MET 78 Cb 0.08 -0.01 0.08 0.00 0.00 0.00 0.00 34.83 34.98 3jtn s MET 78 CO 0.68 -0.13 0.67 -0.51 0.00 0.00 0.00 175.02 175.74 3jtn s ASP 79 N 1.04 6.20 0.00 3.03 1.01 -1.26 -1.36 116.67 125.34 3jtn s ASP 79 Ca -0.07 -1.16 0.00 0.00 0.71 0.00 0.00 52.55 52.03 3jtn s ASP 79 Cb -0.08 -2.30 0.00 0.00 1.01 0.00 0.00 42.92 41.55 3jtn s ASP 79 CO -0.08 -1.02 0.00 0.61 0.21 0.00 0.00 175.17 174.89 3jtn n GLY 80 N 5.23 0.27 0.21 0.21 0.00 -0.98 -4.59 105.19 105.54 3jtn n GLY 80 Ca -0.08 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.01 3jtn n GLY 80 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3jtn n ASN 81 N 0.00 1.70 -0.10 1.61 0.23 -0.98 -3.23 115.26 114.49 3jtn n ASN 81 Ca 0.00 -2.81 -0.06 0.00 -0.53 0.00 0.00 54.58 51.17 3jtn n ASN 81 Cb 0.00 -0.37 0.00 0.00 -2.08 0.00 0.00 39.78 37.33 3jtn n ASN 81 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3jtn h ALA 82 N 0.04 0.02 -0.08 -2.53 0.00 -0.27 0.24 119.26 116.67 3jtn h ALA 82 Ca -0.00 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3jtn h ALA 82 Cb 1.12 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 3jtn h ALA 82 CO 0.00 -0.60 0.00 0.28 0.00 0.00 0.00 179.25 178.94 3jtn h VAL 83 N -0.16 1.24 -0.80 0.00 2.07 -1.05 0.31 116.25 117.87 3jtn h VAL 83 Ca 0.18 -0.76 0.10 0.00 0.82 0.00 0.00 66.70 67.03 3jtn h VAL 83 Cb 0.44 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.72 3jtn h VAL 83 CO -0.45 0.21 0.44 -0.08 0.02 0.00 0.00 177.57 177.71 3jtn h GLU 84 N -0.13 0.70 -0.34 1.57 4.81 -0.96 0.24 114.58 120.47 3jtn h GLU 84 Ca 0.02 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 3jtn h GLU 84 Cb 0.33 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3jtn h GLU 84 CO 0.00 0.46 -0.12 1.15 -0.73 0.00 0.00 179.01 179.78 3jtn h THR 85 N 0.72 1.28 -0.75 0.32 2.02 -0.04 -1.69 112.91 114.77 3jtn h THR 85 Ca 0.39 -1.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 3jtn h THR 85 Cb 0.39 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 3jtn h THR 85 CO -0.26 0.39 0.37 0.40 0.37 0.00 0.00 175.52 176.79 3jtn h ILE 86 N 0.47 1.24 0.00 3.11 2.04 -0.06 -1.47 117.51 122.84 3jtn h ILE 86 Ca 0.08 -0.65 -0.06 0.00 1.00 0.00 0.00 64.86 65.23 3jtn h ILE 86 Cb 0.63 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3jtn h ILE 86 CO 0.04 0.28 -0.29 1.56 0.00 0.00 0.00 178.15 179.74 3jtn h GLN 87 N 1.05 0.00 0.00 2.37 1.08 -0.24 -1.80 115.11 117.57 3jtn h GLN 87 Ca 0.26 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.39 3jtn h GLN 87 Cb 0.10 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 3jtn h GLN 87 CO -0.03 0.29 -1.89 0.25 -0.95 0.00 0.00 178.83 176.50 3jtn n THR 88 N -3.98 0.36 -0.01 -0.54 -2.24 -0.66 -4.22 114.28 103.00 3jtn n THR 88 Ca -0.02 -0.57 -0.01 0.00 -2.27 0.00 0.00 64.05 61.18 3jtn n THR 88 Cb 0.36 -0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.42 3jtn n THR 88 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3jtn n HIS 89 N -2.43 0.00 -1.47 4.78 8.25 -0.56 -4.65 115.22 119.15 3jtn n HIS 89 Ca -0.08 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.40 3jtn n HIS 89 Cb 0.67 -0.07 0.20 0.00 1.12 0.00 0.00 29.99 31.92 3jtn n HIS 89 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3jtn n PHE 90 N -2.26 0.54 0.00 4.41 3.72 -0.75 -5.06 117.46 118.07 3jtn n PHE 90 Ca -0.03 -1.48 0.00 0.00 -0.05 0.00 0.00 57.45 55.89 3jtn n PHE 90 Cb 0.54 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 3jtn n PHE 90 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16