#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sj6 s SER 2 N 0.00 3.59 0.54 3.17 1.04 -1.26 -5.03 113.70 115.76 1sj6 s SER 2 Ca 0.00 -0.50 0.05 0.00 0.48 0.00 0.00 55.95 55.98 1sj6 s SER 2 Cb 0.00 -1.56 0.04 0.00 0.10 0.00 0.00 66.02 64.60 1sj6 s SER 2 CO 0.00 0.06 0.37 -0.83 0.98 0.00 0.00 173.24 173.82 1sj6 s GLY 3 N 0.94 2.44 -0.14 7.32 0.00 -1.26 -5.02 107.32 111.60 1sj6 s GLY 3 Ca -0.03 -1.15 -0.04 0.00 0.00 0.00 0.00 44.72 43.50 1sj6 s GLY 3 CO -0.02 -1.97 0.16 -2.27 0.00 0.00 0.00 173.10 168.99 1sj6 s LEU 4 N -4.25 0.03 -0.35 0.66 0.20 -1.26 -3.43 118.68 110.27 1sj6 s LEU 4 Ca 0.31 -0.10 0.03 0.00 0.69 0.00 0.00 54.13 55.06 1sj6 s LEU 4 Cb -0.02 0.16 0.10 0.00 -0.43 0.00 0.00 46.19 46.00 1sj6 s LEU 4 CO 0.19 -0.30 0.09 0.00 -0.29 0.00 0.00 176.35 176.04 1sj6 s ARG 5 N 2.26 1.34 0.06 1.98 1.70 -0.22 -3.31 118.95 122.76 1sj6 s ARG 5 Ca 0.04 -1.76 -0.29 0.00 -0.47 0.00 0.00 55.73 53.25 1sj6 s ARG 5 Cb -0.14 -2.91 -0.05 0.00 -0.57 0.00 0.00 34.95 31.28 1sj6 s ARG 5 CO -0.08 -0.97 0.91 0.08 -1.08 0.00 0.00 175.30 174.15 1sj6 s VAL 6 N 0.94 4.66 0.19 4.99 1.01 -1.21 -3.02 120.40 127.96 1sj6 s VAL 6 Ca 0.11 1.95 -0.15 0.00 0.00 0.00 0.00 61.98 63.90 1sj6 s VAL 6 Cb -0.19 -4.27 -0.07 0.00 0.00 0.00 0.00 36.38 31.85 1sj6 s VAL 6 CO -0.11 0.29 0.60 -0.31 0.00 0.00 0.00 175.10 175.57 1sj6 s TYR 7 N 0.27 3.57 0.40 5.22 1.51 -0.30 0.72 117.35 128.72 1sj6 s TYR 7 Ca 0.46 1.11 -0.13 0.00 -1.01 0.00 0.00 57.07 57.50 1sj6 s TYR 7 Cb -0.22 -2.42 0.05 0.00 -0.11 0.00 0.00 41.96 39.27 1sj6 s TYR 7 CO 0.27 0.36 0.76 0.45 -1.11 0.00 0.00 175.55 176.28 1sj6 s SER 8 N -1.85 0.18 -0.30 2.29 0.15 -0.99 -3.27 113.70 109.92 1sj6 s SER 8 Ca 0.42 -1.27 0.01 0.00 0.70 0.00 0.00 55.95 55.81 1sj6 s SER 8 Cb -0.14 0.85 0.09 0.00 -1.71 0.00 0.00 66.02 65.10 1sj6 s SER 8 CO 0.20 -1.69 0.05 0.28 1.20 0.00 0.00 173.24 173.28 1sj6 s THR 9 N -2.20 1.35 0.03 6.45 -1.32 -1.26 -1.88 115.64 116.81 1sj6 s THR 9 Ca 0.18 -1.56 -0.26 0.00 -1.21 0.00 0.00 61.69 58.85 1sj6 s THR 9 Cb -0.04 -1.92 -0.14 0.00 -1.51 0.00 0.00 72.50 68.89 1sj6 s THR 9 CO 0.13 -0.51 1.27 0.28 -2.21 0.00 0.00 174.62 173.58 1sj6 h SER 10 N 7.95 -0.78 -0.12 8.08 0.02 -1.92 -2.99 113.55 123.79 1sj6 h SER 10 Ca -0.12 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1sj6 h SER 10 Cb 1.03 0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 1sj6 h SER 10 CO 0.46 -0.51 0.10 1.62 -1.14 0.00 0.00 176.83 177.36 1sj6 h VAL 11 N -1.01 0.80 -3.30 2.27 3.04 -1.95 -3.48 116.25 112.62 1sj6 h VAL 11 Ca -0.09 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 1sj6 h VAL 11 Cb 0.71 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 1sj6 h VAL 11 CO 0.15 0.00 -0.83 0.41 -1.01 0.00 0.00 177.57 176.29 1sj6 n THR 12 N -4.30 -3.81 0.01 3.17 -1.04 -1.13 -5.02 114.28 102.16 1sj6 n THR 12 Ca -0.00 1.76 0.00 0.00 -2.04 0.00 0.00 64.05 63.76 1sj6 n THR 12 Cb 0.21 -2.59 0.00 0.00 -1.82 0.00 0.00 70.33 66.14 1sj6 n THR 12 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sj6 n GLY 13 N -1.63 -0.01 0.53 3.41 0.00 -1.26 -5.09 105.19 101.14 1sj6 n GLY 13 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1sj6 n GLY 13 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sj6 n SER 14 N -3.02 0.13 -0.00 1.61 2.88 -1.26 -5.03 113.62 108.93 1sj6 n SER 14 Ca 0.00 -1.13 0.05 0.00 -1.33 0.00 0.00 58.87 56.46 1sj6 n SER 14 Cb 0.42 -0.10 -0.06 0.00 -0.75 0.00 0.00 64.21 63.72 1sj6 n SER 14 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1sj6 n ARG 15 N -1.30 2.62 -0.10 -1.46 0.00 -1.26 -4.53 116.66 110.63 1sj6 n ARG 15 Ca 0.02 -0.03 -0.10 0.00 -0.00 0.00 0.00 57.85 57.74 1sj6 n ARG 15 Cb 0.08 -1.05 -0.16 0.00 0.00 0.00 0.00 32.46 31.33 1sj6 n ARG 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1sj6 n GLU 16 N -1.44 0.71 0.01 -0.14 4.71 -1.26 -4.31 120.64 118.91 1sj6 n GLU 16 Ca 0.01 0.00 0.15 0.00 -0.01 0.00 0.00 57.16 57.31 1sj6 n GLU 16 Cb 0.19 -1.52 0.61 0.00 -1.01 0.00 0.00 31.44 29.71 1sj6 n GLU 16 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1sj6 h ILE 17 N 0.00 0.84 -0.02 -3.67 1.08 -1.99 0.12 117.51 113.87 1sj6 h ILE 17 Ca -0.55 -0.05 -0.07 0.00 -0.39 0.00 0.00 64.86 63.80 1sj6 h ILE 17 Cb 2.22 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 36.62 1sj6 h ILE 17 CO 0.02 0.03 -0.33 0.11 -0.69 0.00 0.00 178.15 177.29 1sj6 h LYS 18 N 0.16 0.03 0.00 2.37 1.57 -1.81 -1.69 116.57 117.19 1sj6 h LYS 18 Ca 0.22 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.87 1sj6 h LYS 18 Cb 0.68 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1sj6 h LYS 18 CO -0.03 0.36 -0.59 1.03 -0.57 0.00 0.00 179.45 179.64 1sj6 h SER 19 N 0.03 0.00 0.01 0.86 0.87 -0.99 -2.40 113.55 111.94 1sj6 h SER 19 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1sj6 h SER 19 Cb 0.59 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1sj6 h SER 19 CO 0.04 0.59 -0.01 1.56 -0.53 0.00 0.00 176.83 178.49 1sj6 h GLN 20 N 0.00 -0.02 -0.51 2.24 7.50 -1.25 -3.00 115.11 120.07 1sj6 h GLN 20 Ca -0.01 0.00 0.05 0.00 0.50 0.00 0.00 58.65 59.20 1sj6 h GLN 20 Cb 1.10 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.60 1sj6 h GLN 20 CO 0.08 0.71 0.34 -0.56 -1.50 0.00 0.00 178.83 177.90 1sj6 h GLN 21 N -0.96 0.48 -0.09 1.46 3.07 -1.40 -1.81 115.11 115.86 1sj6 h GLN 21 Ca -0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 58.65 58.69 1sj6 h GLN 21 Cb 0.74 -0.11 -0.00 0.00 0.08 0.00 0.00 27.48 28.19 1sj6 h GLN 21 CO 0.00 0.32 -0.01 0.77 0.09 0.00 0.00 178.83 180.00 1sj6 h SER 22 N 0.50 0.17 -1.01 0.06 0.02 -1.52 -1.97 113.55 109.80 1sj6 h SER 22 Ca 0.22 -0.34 0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1sj6 h SER 22 Cb 0.23 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 1sj6 h SER 22 CO -0.06 0.47 0.66 -0.08 -1.14 0.00 0.00 176.83 176.68 1sj6 h GLU 23 N -0.14 1.29 0.68 3.45 4.81 -1.27 0.33 114.58 123.73 1sj6 h GLU 23 Ca 0.02 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1sj6 h GLU 23 Cb 0.39 -0.29 0.01 0.00 0.63 0.00 0.00 28.75 29.48 1sj6 h GLU 23 CO 0.01 0.85 -0.33 0.28 -0.73 0.00 0.00 179.01 179.09 1sj6 h VAL 24 N 1.33 0.00 0.00 0.32 2.07 -1.27 -2.69 116.25 116.00 1sj6 h VAL 24 Ca 0.38 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.75 1sj6 h VAL 24 Cb -0.09 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.68 1sj6 h VAL 24 CO -0.10 0.00 -0.02 0.74 0.02 0.00 0.00 177.57 178.22 1sj6 h THR 25 N -1.06 0.94 0.18 2.57 2.02 -1.30 -2.62 112.91 113.64 1sj6 h THR 25 Ca -0.09 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1sj6 h THR 25 Cb 0.70 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1sj6 h THR 25 CO 0.15 0.02 -0.16 0.03 0.37 0.00 0.00 175.52 175.93 1sj6 h ARG 26 N 0.00 -0.35 0.03 6.66 3.08 -0.24 0.67 114.38 124.24 1sj6 h ARG 26 Ca -0.00 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1sj6 h ARG 26 Cb 0.03 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1sj6 h ARG 26 CO 0.00 -0.23 -0.02 0.82 -1.07 0.00 0.00 179.97 179.47 1sj6 h ILE 27 N -0.36 1.05 -0.40 2.04 2.04 -1.14 -0.56 117.51 120.18 1sj6 h ILE 27 Ca -0.00 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.60 1sj6 h ILE 27 Cb 0.33 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1sj6 h ILE 27 CO -0.03 0.07 0.25 -0.07 0.00 0.00 0.00 178.15 178.37 1sj6 h LEU 28 N -0.16 0.43 0.01 1.44 3.38 -1.37 -1.43 115.31 117.60 1sj6 h LEU 28 Ca -0.00 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1sj6 h LEU 28 Cb 0.14 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1sj6 h LEU 28 CO 0.01 0.31 -0.07 -0.78 0.09 0.00 0.00 178.44 177.99 1sj6 h ASP 29 N 0.51 -0.20 -0.16 -0.43 3.58 0.48 -1.67 116.42 118.54 1sj6 h ASP 29 Ca 0.15 0.03 0.05 0.00 0.42 0.00 0.00 57.03 57.68 1sj6 h ASP 29 Cb -0.03 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1sj6 h ASP 29 CO -0.05 -0.11 0.11 1.23 -2.88 0.00 0.00 179.24 177.55 1sj6 h GLY 30 N -0.13 0.00 1.81 -0.78 0.00 -0.87 0.23 103.07 103.33 1sj6 h GLY 30 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1sj6 h GLY 30 CO -0.06 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.76 1sj6 n LYS 31 N -4.48 0.16 -3.30 4.80 5.02 -0.56 -4.91 118.16 114.89 1sj6 n LYS 31 Ca 0.01 0.06 -0.17 0.00 -2.02 0.00 0.00 58.31 56.19 1sj6 n LYS 31 Cb 0.24 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.82 1sj6 n LYS 31 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1sj6 n ARG 32 N -1.40 -6.07 -2.30 1.97 5.12 0.81 -5.00 116.66 109.79 1sj6 n ARG 32 Ca 0.09 0.70 -0.29 0.00 -1.93 0.00 0.00 57.85 56.42 1sj6 n ARG 32 Cb 0.25 -5.31 0.01 0.00 -1.16 0.00 0.00 32.46 26.25 1sj6 n ARG 32 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1sj6 s ILE 33 N -3.28 4.71 -0.35 0.55 1.01 -1.08 -5.01 121.20 117.74 1sj6 s ILE 33 Ca 0.24 0.46 0.06 0.00 0.00 0.00 0.00 60.65 61.41 1sj6 s ILE 33 Cb -0.10 -3.83 0.45 0.00 0.01 0.00 0.00 42.46 38.99 1sj6 s ILE 33 CO 0.61 -0.94 1.24 0.00 0.00 0.00 0.00 174.94 175.85 1sj6 n GLN 34 N -2.50 3.52 -2.80 2.79 3.00 -1.26 -4.92 117.38 115.21 1sj6 n GLN 34 Ca 0.03 -4.17 -0.29 0.00 -0.01 0.00 0.00 57.00 52.56 1sj6 n GLN 34 Cb 0.55 -2.28 -0.02 0.00 0.00 0.00 0.00 30.24 28.49 1sj6 n GLN 34 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.06 178.58 1sj6 s TYR 35 N -3.61 3.51 0.83 1.08 1.13 -1.26 -5.08 117.35 113.94 1sj6 s TYR 35 Ca 0.51 0.93 -0.06 0.00 -1.41 0.00 0.00 57.07 57.04 1sj6 s TYR 35 Cb 0.41 -2.37 0.18 0.00 -1.10 0.00 0.00 41.96 39.08 1sj6 s TYR 35 CO -0.01 -0.16 1.13 0.00 -2.51 0.00 0.00 175.55 174.00 1sj6 n GLN 36 N -1.65 -0.55 -3.54 -3.49 10.64 -1.21 -5.02 117.38 112.56 1sj6 n GLN 36 Ca 0.01 -2.50 -0.29 0.00 -1.83 0.00 0.00 57.00 52.39 1sj6 n GLN 36 Cb 0.54 -0.93 -0.15 0.00 -0.86 0.00 0.00 30.24 28.85 1sj6 n GLN 36 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1sj6 s LEU 37 N 0.00 0.64 -1.30 2.61 2.96 -1.26 -3.33 118.68 119.00 1sj6 s LEU 37 Ca 0.70 -1.40 -0.18 0.00 -0.22 0.00 0.00 54.13 53.03 1sj6 s LEU 37 Cb -0.03 -0.37 0.06 0.00 0.50 0.00 0.00 46.19 46.35 1sj6 s LEU 37 CO 0.48 -0.43 1.76 1.33 -1.32 0.00 0.00 176.35 178.17 1sj6 n VAL 38 N 5.11 3.87 -2.62 1.68 0.24 0.22 -4.89 118.33 121.95 1sj6 n VAL 38 Ca -0.04 -4.01 -0.43 0.00 -2.04 0.00 0.00 64.34 57.82 1sj6 n VAL 38 Cb 0.41 -2.35 -0.02 0.00 -1.47 0.00 0.00 33.84 30.41 1sj6 n VAL 38 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1sj6 s ASP 39 N 4.29 7.08 0.31 -1.34 1.11 -1.26 -3.26 116.67 123.59 1sj6 s ASP 39 Ca 0.54 1.45 0.26 0.00 0.18 0.00 0.00 52.55 54.98 1sj6 s ASP 39 Cb 0.04 -2.54 0.90 0.00 1.07 0.00 0.00 42.92 42.39 1sj6 s ASP 39 CO 0.08 -0.68 1.76 0.16 1.18 0.00 0.00 175.17 177.67 1sj6 h ILE 40 N 5.44 0.00 0.00 0.77 3.07 -1.69 -3.12 117.51 121.98 1sj6 h ILE 40 Ca -0.21 -0.46 -0.00 0.00 1.55 0.00 0.00 64.86 65.74 1sj6 h ILE 40 Cb 1.07 1.36 -0.00 0.00 -0.27 0.00 0.00 36.82 38.98 1sj6 h ILE 40 CO 0.97 0.00 -0.00 0.77 -1.05 0.00 0.00 178.15 178.84 1sj6 h SER 41 N 0.00 0.00 0.24 2.16 4.64 -1.91 -3.09 113.55 115.59 1sj6 h SER 41 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1sj6 h SER 41 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1sj6 h SER 41 CO 0.00 0.00 -0.13 -0.61 -0.87 0.00 0.00 176.83 175.22 1sj6 h GLN 42 N 0.00 -0.34 -6.60 4.77 5.75 -1.90 -3.45 115.11 113.35 1sj6 h GLN 42 Ca -0.00 0.02 -0.70 0.00 -0.15 0.00 0.00 58.65 57.83 1sj6 h GLN 42 Cb 0.00 0.08 -0.28 0.00 1.07 0.00 0.00 27.48 28.35 1sj6 h GLN 42 CO 0.00 -0.22 -0.87 0.34 -2.65 0.00 0.00 178.83 175.43 1sj6 s ASP 43 N -2.60 3.26 0.56 -0.69 2.15 -1.17 -5.01 116.67 113.17 1sj6 s ASP 43 Ca -0.05 -0.46 0.27 0.00 0.43 0.00 0.00 52.55 52.73 1sj6 s ASP 43 Cb 0.01 -0.41 1.62 0.00 -0.30 0.00 0.00 42.92 43.83 1sj6 s ASP 43 CO 0.16 0.30 2.18 0.78 -0.17 0.00 0.00 175.17 178.42 1sj6 h ASN 44 N 5.23 0.00 -0.74 -0.34 2.35 -1.86 -2.06 115.58 118.16 1sj6 h ASN 44 Ca -0.45 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.33 1sj6 h ASN 44 Cb 1.13 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.46 1sj6 h ASN 44 CO 0.47 0.05 0.49 0.00 -1.65 0.00 0.00 177.43 176.78 1sj6 h ALA 45 N 1.95 1.53 -0.07 -0.83 0.00 -1.95 -0.98 119.26 118.92 1sj6 h ALA 45 Ca -0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1sj6 h ALA 45 Cb 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1sj6 h ALA 45 CO 0.01 0.40 -0.19 -0.07 0.00 0.00 0.00 179.25 179.40 1sj6 h LEU 46 N 0.93 0.11 -0.05 0.00 3.38 -1.63 0.88 115.31 118.93 1sj6 h LEU 46 Ca 0.29 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1sj6 h LEU 46 Cb -0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1sj6 h LEU 46 CO -0.08 0.31 -0.01 0.03 0.09 0.00 0.00 178.44 178.79 1sj6 h ARG 47 N 0.11 0.10 -0.01 1.13 3.08 -1.27 0.57 114.38 118.08 1sj6 h ARG 47 Ca 0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1sj6 h ARG 47 Cb 0.41 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1sj6 h ARG 47 CO 0.03 0.42 0.00 -3.47 -1.07 0.00 0.00 179.97 175.87 1sj6 n ASP 48 N -4.85 0.63 -0.10 7.04 -0.08 -1.06 -2.62 116.55 115.51 1sj6 n ASP 48 Ca -0.07 -1.24 -0.10 0.00 -1.51 0.00 0.00 54.79 51.86 1sj6 n ASP 48 Cb 0.21 -0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.51 1sj6 n ASP 48 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1sj6 n GLU 49 N -0.49 0.74 0.02 -0.67 4.07 0.28 -3.94 120.64 120.65 1sj6 n GLU 49 Ca 0.21 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 57.11 1sj6 n GLU 49 Cb 0.21 -1.51 -0.14 0.00 -0.06 0.00 0.00 31.44 29.94 1sj6 n GLU 49 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 1sj6 h MET 50 N 0.00 0.24 -0.26 5.31 4.05 -0.89 -2.85 114.93 120.54 1sj6 h MET 50 Ca -0.54 -0.42 -0.01 0.00 -0.28 0.00 0.00 59.70 58.45 1sj6 h MET 50 Cb 2.20 0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 33.14 1sj6 h MET 50 CO 0.02 1.20 0.11 0.00 0.23 0.00 0.00 176.91 178.46 1sj6 h ARG 51 N -0.43 0.36 0.29 0.39 -0.00 -1.73 0.28 114.38 113.53 1sj6 h ARG 51 Ca -0.19 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.98 59.24 1sj6 h ARG 51 Cb 1.61 -0.07 0.00 0.00 0.00 0.00 0.00 29.97 31.51 1sj6 h ARG 51 CO 0.09 0.30 -0.14 0.00 0.00 0.00 0.00 179.97 180.23 1sj6 h ALA 52 N 1.76 -0.38 0.00 0.04 0.00 -1.68 -2.52 119.26 116.47 1sj6 h ALA 52 Ca 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1sj6 h ALA 52 Cb 0.08 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1sj6 h ALA 52 CO -0.01 -0.38 -0.02 -0.07 0.00 0.00 0.00 179.25 178.77 1sj6 h LEU 53 N -1.06 0.00 -0.61 0.00 3.38 -1.43 -0.41 115.31 115.18 1sj6 h LEU 53 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1sj6 h LEU 53 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1sj6 h LEU 53 CO 0.06 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.62 1sj6 h ALA 54 N 1.98 1.00 -4.89 1.53 0.00 -0.50 -3.44 119.26 114.93 1sj6 h ALA 54 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 1sj6 h ALA 54 Cb 0.04 0.00 0.12 0.00 0.00 0.00 0.00 17.79 17.96 1sj6 h ALA 54 CO 0.00 0.00 -0.58 0.41 0.00 0.00 0.00 179.25 179.09 1sj6 n GLY 55 N 0.63 -0.22 0.00 0.00 0.00 -0.16 -4.99 105.19 100.44 1sj6 n GLY 55 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1sj6 n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sj6 n ASN 56 N -2.39 0.00 -1.25 1.61 6.94 -0.99 -5.03 115.26 114.16 1sj6 n ASN 56 Ca -0.10 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.42 1sj6 n ASN 56 Cb 0.59 0.00 0.10 0.00 -2.36 0.00 0.00 39.78 38.11 1sj6 n ASN 56 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1sj6 n PRO 57 N 0.00 1.92 0.00 -0.53 -0.05 -1.26 -3.46 135.00 131.61 1sj6 n PRO 57 Ca 0.00 -1.13 0.00 0.00 -0.05 0.00 0.00 63.50 62.32 1sj6 n PRO 57 Cb 0.00 -1.60 0.00 0.00 -0.05 0.00 0.00 33.50 31.85 1sj6 n PRO 57 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 1sj6 n LYS 58 N 0.05 4.77 0.00 0.54 5.02 -1.26 -5.05 118.16 122.23 1sj6 n LYS 58 Ca 0.16 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1sj6 n LYS 58 Cb 0.78 -0.63 0.00 0.00 -0.02 0.00 0.00 35.03 35.15 1sj6 n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sj6 n ALA 59 N -0.72 0.00 -2.47 7.82 0.00 -1.23 -5.08 120.51 118.83 1sj6 n ALA 59 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1sj6 n ALA 59 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1sj6 n ALA 59 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1sj6 s THR 60 N -0.53 0.00 0.27 0.00 -4.23 -1.26 -5.06 115.64 104.84 1sj6 s THR 60 Ca 0.00 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 1sj6 s THR 60 Cb 0.00 -2.39 0.28 0.00 1.34 0.00 0.00 72.50 71.73 1sj6 s THR 60 CO 0.00 -0.02 1.68 -0.65 -0.54 0.00 0.00 174.62 175.09 1sj6 h PRO 61 N 2.53 0.29 -6.32 3.99 0.11 -1.91 -3.37 132.00 127.31 1sj6 h PRO 61 Ca -0.33 -0.02 -0.54 0.00 0.11 0.00 0.00 66.00 65.22 1sj6 h PRO 61 Cb 1.25 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 1sj6 h PRO 61 CO 0.48 0.19 1.17 -2.14 -0.21 0.00 0.00 178.00 177.49 1sj6 s PRO 62 N -5.96 3.21 -0.15 1.05 0.02 -1.21 -2.34 135.00 129.62 1sj6 s PRO 62 Ca -0.12 0.67 -0.07 0.00 0.02 0.00 0.00 61.00 61.50 1sj6 s PRO 62 Cb 0.24 -4.17 0.07 0.00 0.02 0.00 0.00 34.50 30.66 1sj6 s PRO 62 CO 0.77 -2.03 0.34 -0.65 -0.33 0.00 0.00 177.00 175.10 1sj6 s GLN 63 N 5.74 0.27 -0.15 5.54 -1.52 -1.20 -3.37 119.66 124.97 1sj6 s GLN 63 Ca 0.60 0.80 -0.24 0.00 -1.95 0.00 0.00 55.36 54.57 1sj6 s GLN 63 Cb -0.13 0.05 -0.02 0.00 -0.22 0.00 0.00 33.01 32.69 1sj6 s GLN 63 CO 0.26 -0.22 0.75 0.42 -0.25 0.00 0.00 175.29 176.25 1sj6 s ILE 64 N 2.01 4.95 -0.02 1.08 1.09 -0.63 -1.15 121.20 128.52 1sj6 s ILE 64 Ca -0.04 1.48 0.05 0.00 -1.10 0.00 0.00 60.65 61.04 1sj6 s ILE 64 Cb -0.11 -4.07 -0.01 0.00 -1.06 0.00 0.00 42.46 37.21 1sj6 s ILE 64 CO -0.11 0.10 -0.16 -0.69 -0.10 0.00 0.00 174.94 173.98 1sj6 s VAL 65 N 1.77 1.32 -0.92 2.92 1.01 -1.17 -0.41 120.40 124.92 1sj6 s VAL 65 Ca 0.36 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 1sj6 s VAL 65 Cb -0.17 -1.11 0.23 0.00 0.00 0.00 0.00 36.38 35.34 1sj6 s VAL 65 CO 0.13 0.38 0.86 -3.20 0.00 0.00 0.00 175.10 173.27 1sj6 n ASN 66 N 2.81 4.43 0.00 3.32 2.85 -1.18 -1.06 115.26 126.43 1sj6 n ASN 66 Ca -0.16 -3.16 0.00 0.00 -0.11 0.00 0.00 54.58 51.16 1sj6 n ASN 66 Cb 0.54 -1.07 0.00 0.00 1.24 0.00 0.00 39.78 40.49 1sj6 n ASN 66 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1sj6 n GLY 67 N 2.19 1.64 2.34 8.20 0.00 -1.22 -4.08 105.19 114.26 1sj6 n GLY 67 Ca 0.23 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 1sj6 n GLY 67 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sj6 n ASP 68 N 4.09 0.31 -4.08 1.61 2.03 -1.26 -4.97 116.55 114.28 1sj6 n ASP 68 Ca 0.00 -2.07 -0.09 0.00 0.52 0.00 0.00 54.79 53.15 1sj6 n ASP 68 Cb 0.00 -0.03 -0.09 0.00 -0.72 0.00 0.00 41.12 40.28 1sj6 n ASP 68 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1sj6 s GLN 69 N -1.57 0.92 -0.71 -0.67 -0.21 -1.26 -5.10 119.66 111.06 1sj6 s GLN 69 Ca 0.20 -1.31 -0.27 0.00 0.02 0.00 0.00 55.36 54.00 1sj6 s GLN 69 Cb 0.33 0.27 0.03 0.00 1.00 0.00 0.00 33.01 34.64 1sj6 s GLN 69 CO -0.08 -0.27 1.28 -0.47 -2.12 0.00 0.00 175.29 173.62 1sj6 s TYR 70 N -4.00 2.32 -0.03 0.91 5.04 -1.26 -3.12 117.35 117.21 1sj6 s TYR 70 Ca 0.19 0.04 -0.21 0.00 -2.44 0.00 0.00 57.07 54.65 1sj6 s TYR 70 Cb 0.06 -4.60 -0.32 0.00 0.35 0.00 0.00 41.96 37.46 1sj6 s TYR 70 CO -0.01 -2.00 0.93 0.00 -1.34 0.00 0.00 175.55 173.12 1sj6 n GLY 72 N 1.63 -0.79 0.00 0.00 0.00 0.45 -4.97 105.19 101.51 1sj6 n GLY 72 Ca -0.14 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1sj6 n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sj6 n ASP 73 N 0.25 0.08 0.03 1.61 8.00 -1.26 -1.61 116.55 123.64 1sj6 n ASP 73 Ca 0.00 -0.49 -0.13 0.00 0.71 0.00 0.00 54.79 54.88 1sj6 n ASP 73 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 1sj6 n ASP 73 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1sj6 h TYR 74 N 0.49 -0.07 -0.07 1.24 5.03 -1.96 -2.68 116.97 118.95 1sj6 h TYR 74 Ca 0.00 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.35 1sj6 h TYR 74 Cb 0.00 0.02 -0.05 0.00 1.55 0.00 0.00 36.73 38.26 1sj6 h TYR 74 CO 0.00 0.30 -0.20 1.49 -1.32 0.00 0.00 178.16 178.43 1sj6 h GLU 75 N -0.45 -0.28 0.01 1.82 4.22 -1.97 -0.37 114.58 117.56 1sj6 h GLU 75 Ca -0.01 0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.45 1sj6 h GLU 75 Cb 0.40 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1sj6 h GLU 75 CO 0.01 -0.18 -0.01 -0.07 -2.18 0.00 0.00 179.01 176.58 1sj6 h LEU 76 N -0.29 -0.04 -0.67 1.64 4.07 -1.96 0.97 115.31 119.04 1sj6 h LEU 76 Ca 0.08 0.00 0.11 0.00 0.08 0.00 0.00 57.88 58.15 1sj6 h LEU 76 Cb 0.40 0.01 -0.12 0.00 1.08 0.00 0.00 40.66 42.03 1sj6 h LEU 76 CO -0.24 -0.02 -0.37 0.15 -1.08 0.00 0.00 178.44 176.89 1sj6 h PHE 77 N -0.02 -1.04 -0.35 1.13 3.04 -1.48 0.23 116.94 118.45 1sj6 h PHE 77 Ca -0.00 0.08 -0.05 0.00 3.98 0.00 0.00 57.97 61.98 1sj6 h PHE 77 Cb 0.02 0.55 -0.02 0.00 2.56 0.00 0.00 35.95 39.07 1sj6 h PHE 77 CO -0.10 -0.39 0.02 0.28 -2.02 0.00 0.00 178.31 176.09 1sj6 h VAL 78 N -0.14 1.19 0.00 1.41 2.07 -1.00 -1.51 116.25 118.27 1sj6 h VAL 78 Ca 0.24 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1sj6 h VAL 78 Cb 0.56 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1sj6 h VAL 78 CO -0.74 0.26 0.00 1.21 0.02 0.00 0.00 177.57 178.32 1sj6 n GLU 79 N -4.29 0.21 -0.09 1.57 2.13 0.34 -3.24 120.64 117.27 1sj6 n GLU 79 Ca 0.02 0.11 -0.12 0.00 0.66 0.00 0.00 57.16 57.83 1sj6 n GLU 79 Cb 0.23 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.40 1sj6 n GLU 79 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1sj6 n ALA 80 N -1.34 0.76 -0.23 4.31 0.00 -0.24 -4.35 120.51 119.42 1sj6 n ALA 80 Ca 0.08 -0.68 0.23 0.00 0.00 0.00 0.00 53.44 53.08 1sj6 n ALA 80 Cb 0.18 -0.03 0.59 0.00 0.00 0.00 0.00 19.45 20.19 1sj6 n ALA 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sj6 h VAL 81 N -1.00 0.60 -0.43 0.00 2.07 -1.58 0.99 116.25 116.91 1sj6 h VAL 81 Ca -0.14 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.36 1sj6 h VAL 81 Cb 0.95 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 1sj6 h VAL 81 CO -0.09 0.05 0.08 1.05 0.02 0.00 0.00 177.57 178.68 1sj6 h GLU 82 N 0.25 0.21 -0.60 1.57 4.11 -1.75 -1.86 114.58 116.51 1sj6 h GLU 82 Ca 0.47 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.89 1sj6 h GLU 82 Cb 1.44 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1sj6 h GLU 82 CO -0.13 0.14 0.00 0.94 0.07 0.00 0.00 179.01 180.03 1sj6 n GLN 83 N -5.10 2.64 -1.27 1.06 7.27 -0.42 -4.91 117.38 116.66 1sj6 n GLN 83 Ca 0.03 -2.52 -0.05 0.00 0.07 0.00 0.00 57.00 54.53 1sj6 n GLN 83 Cb 0.20 -1.55 -0.02 0.00 2.41 0.00 0.00 30.24 31.28 1sj6 n GLN 83 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1sj6 n ASN 84 N 1.60 -3.39 0.13 1.69 5.15 0.10 -4.90 115.26 115.64 1sj6 n ASN 84 Ca 0.23 0.10 0.12 0.00 -0.60 0.00 0.00 54.58 54.43 1sj6 n ASN 84 Cb 0.62 -1.51 0.16 0.00 -0.53 0.00 0.00 39.78 38.52 1sj6 n ASN 84 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1sj6 h THR 85 N 0.00 0.00 -0.58 -0.44 2.02 0.67 -3.37 112.91 111.20 1sj6 h THR 85 Ca -0.10 -0.80 0.23 0.00 0.77 0.00 0.00 66.41 66.52 1sj6 h THR 85 Cb 0.42 1.57 -0.11 0.00 -1.74 0.00 0.00 68.15 68.29 1sj6 h THR 85 CO 0.14 0.00 0.28 -0.11 0.37 0.00 0.00 175.52 176.20 1sj6 n LEU 86 N -2.62 0.17 0.24 2.58 -0.00 -1.04 0.13 117.00 116.46 1sj6 n LEU 86 Ca 0.03 0.97 -0.15 0.00 -0.00 0.00 0.00 56.01 56.86 1sj6 n LEU 86 Cb 0.50 -0.46 -0.08 0.00 -0.00 0.00 0.00 43.42 43.38 1sj6 n LEU 86 CO 0.36 -1.08 0.69 -0.61 -0.00 0.00 0.00 177.39 176.75 1sj6 h GLN 87 N 0.00 -0.61 -0.77 1.96 4.15 -1.91 0.55 115.11 118.48 1sj6 h GLN 87 Ca 0.48 0.04 0.22 0.00 0.77 0.00 0.00 58.65 60.16 1sj6 h GLN 87 Cb 1.24 0.14 -0.03 0.00 0.21 0.00 0.00 27.48 29.04 1sj6 h GLN 87 CO -0.46 -0.41 0.88 1.49 -1.93 0.00 0.00 178.83 178.40 1sj6 h GLU 88 N -0.63 0.00 0.00 1.69 4.22 0.73 1.30 114.58 121.89 1sj6 h GLU 88 Ca -0.04 0.00 -0.19 0.00 0.08 0.00 0.00 59.36 59.21 1sj6 h GLU 88 Cb 0.53 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1sj6 h GLU 88 CO 0.03 0.00 -2.20 0.34 -2.18 0.00 0.00 179.01 175.00 1sj6 n PHE 89 N -3.45 0.00 -0.02 0.92 -0.00 -0.54 -3.72 117.46 110.66 1sj6 n PHE 89 Ca 0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.60 1sj6 n PHE 89 Cb 1.13 -0.76 -0.01 0.00 -0.00 0.00 0.00 39.48 39.85 1sj6 n PHE 89 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1sj6 n LEU 90 N -2.51 0.45 0.12 -2.13 4.77 0.33 -4.70 117.00 113.33 1sj6 n LEU 90 Ca -0.19 0.18 0.11 0.00 -0.03 0.00 0.00 56.01 56.08 1sj6 n LEU 90 Cb 0.87 -0.57 0.02 0.00 -2.33 0.00 0.00 43.42 41.42 1sj6 n LEU 90 CO 0.44 -0.46 0.12 0.11 -1.33 0.00 0.00 177.39 176.27 1sj6 h LYS 91 N -0.24 0.00 -3.85 3.23 1.57 0.19 -3.48 116.57 113.99 1sj6 h LYS 91 Ca 0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1sj6 h LYS 91 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1sj6 h LYS 91 CO 0.00 0.00 -0.39 1.28 -0.57 0.00 0.00 179.45 179.77 1sj6 n LEU 92 N -2.74 -1.41 -2.97 2.94 4.32 0.36 -2.62 117.00 114.88 1sj6 n LEU 92 Ca 0.00 0.08 -0.02 0.00 -0.02 0.00 0.00 56.01 56.06 1sj6 n LEU 92 Cb 0.55 -2.33 0.01 0.00 -1.62 0.00 0.00 43.42 40.02 1sj6 n LEU 92 CO 0.39 -0.10 0.29 0.00 -1.22 0.00 0.00 177.39 176.75 1sj6 n ALA 93 N -2.37 -2.42 -1.05 -1.18 0.00 -1.26 -4.91 120.51 107.33 1sj6 n ALA 93 Ca -0.15 0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.08 1sj6 n ALA 93 Cb 0.62 -1.88 0.16 0.00 0.00 0.00 0.00 19.45 18.35 1sj6 n ALA 93 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1sj6 n LEU 94 N -1.88 6.46 0.00 0.00 -0.00 -1.08 -5.15 117.00 115.35 1sj6 n LEU 94 Ca -0.01 -3.45 0.06 0.00 -0.00 0.00 0.00 56.01 52.61 1sj6 n LEU 94 Cb 0.51 -0.82 0.33 0.00 -0.00 0.00 0.00 43.42 43.45 1sj6 n LEU 94 CO 0.50 1.02 0.55 1.21 -0.00 0.00 0.00 177.39 180.67