#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 1.45 -0.02 7.83 1.04 -1.26 -5.13 113.70 117.62 1sj6 s SER 2 Ca 0.00 -0.67 -0.05 0.00 0.48 0.00 0.00 55.95 55.70 1sj6 s SER 2 Cb 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.11 1sj6 s SER 2 CO 0.00 -0.17 0.11 -0.83 0.98 0.00 0.00 173.24 173.34 1sj6 s GLY 3 N -1.97 0.01 -0.23 7.32 0.00 -1.26 -4.79 107.32 106.40 1sj6 s GLY 3 Ca -0.01 0.01 -0.26 0.00 0.00 0.00 0.00 44.72 44.47 1sj6 s GLY 3 CO 0.01 -0.08 0.72 0.48 0.00 0.00 0.00 173.10 174.23 1sj6 s LEU 4 N -0.78 -0.73 -0.67 0.66 0.05 -1.26 -4.53 118.68 111.43 1sj6 s LEU 4 Ca -0.09 1.31 -0.17 0.00 0.05 0.00 0.00 54.13 55.24 1sj6 s LEU 4 Cb -0.05 2.47 0.14 0.00 -2.05 0.00 0.00 46.19 46.71 1sj6 s LEU 4 CO 0.01 -0.31 0.70 0.00 -0.55 0.00 0.00 176.35 176.19 1sj6 s ARG 5 N 0.10 3.22 -0.21 1.48 1.70 -0.21 -0.75 118.95 124.28 1sj6 s ARG 5 Ca -0.02 -1.77 -0.22 0.00 -0.47 0.00 0.00 55.73 53.25 1sj6 s ARG 5 Cb -0.04 -4.38 -0.02 0.00 -0.57 0.00 0.00 34.95 29.94 1sj6 s ARG 5 CO 0.02 -1.44 0.71 0.08 -1.08 0.00 0.00 175.30 173.60 1sj6 s VAL 6 N 1.71 4.95 0.30 4.99 1.01 -0.36 -2.05 120.40 130.96 1sj6 s VAL 6 Ca 0.12 1.34 -0.27 0.00 0.00 0.00 0.00 61.98 63.17 1sj6 s VAL 6 Cb -0.21 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.06 1sj6 s VAL 6 CO -0.00 0.04 0.94 -0.31 0.00 0.00 0.00 175.10 175.78 1sj6 s TYR 7 N 2.26 3.77 0.39 5.22 2.02 0.23 0.63 117.35 131.88 1sj6 s TYR 7 Ca 0.31 1.82 -0.15 0.00 -0.37 0.00 0.00 57.07 58.68 1sj6 s TYR 7 Cb -0.16 -2.94 0.06 0.00 -0.40 0.00 0.00 41.96 38.52 1sj6 s TYR 7 CO 0.10 0.27 0.79 -1.54 -1.57 0.00 0.00 175.55 173.60 1sj6 s SER 8 N -1.49 0.02 -0.28 2.29 1.04 -0.88 -1.75 113.70 112.65 1sj6 s SER 8 Ca 0.48 -1.16 0.01 0.00 0.48 0.00 0.00 55.95 55.75 1sj6 s SER 8 Cb -0.21 0.85 0.08 0.00 0.10 0.00 0.00 66.02 66.85 1sj6 s SER 8 CO 0.26 -1.70 0.02 0.28 0.98 0.00 0.00 173.24 173.09 1sj6 s THR 9 N -2.28 1.47 0.09 2.02 -1.32 -1.26 -2.05 115.64 112.32 1sj6 s THR 9 Ca 0.16 -1.53 -0.29 0.00 -1.21 0.00 0.00 61.69 58.82 1sj6 s THR 9 Cb -0.05 -1.94 -0.13 0.00 -1.51 0.00 0.00 72.50 68.86 1sj6 s THR 9 CO 0.12 -0.41 1.65 0.28 -2.21 0.00 0.00 174.62 174.04 1sj6 h SER 10 N 7.92 -0.66 -1.23 8.08 0.02 -1.92 -3.32 113.55 122.45 1sj6 h SER 10 Ca -0.13 0.05 -0.65 0.00 -0.84 0.00 0.00 61.79 60.23 1sj6 h SER 10 Cb 1.04 0.21 -0.11 0.00 0.14 0.00 0.00 62.40 63.69 1sj6 h SER 10 CO 0.45 -0.38 1.67 -0.69 -1.14 0.00 0.00 176.83 176.75 1sj6 s VAL 11 N -6.07 4.15 0.20 2.27 1.01 -1.26 -4.98 120.40 115.73 1sj6 s VAL 11 Ca -0.16 -1.38 -0.32 0.00 0.00 0.00 0.00 61.98 60.11 1sj6 s VAL 11 Cb 0.06 -5.07 -0.13 0.00 0.00 0.00 0.00 36.38 31.24 1sj6 s VAL 11 CO 0.64 -1.90 1.54 0.35 0.00 0.00 0.00 175.10 175.73 1sj6 n THR 12 N 6.41 0.41 0.00 3.92 -2.24 -1.25 -4.89 114.28 116.64 1sj6 n THR 12 Ca 0.38 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 1sj6 n THR 12 Cb 0.48 -1.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 1sj6 n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sj6 n GLY 13 N 2.94 0.00 3.80 3.38 0.00 -1.26 -5.08 105.19 108.97 1sj6 n GLY 13 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 1sj6 n GLY 13 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sj6 n SER 14 N -2.36 0.43 -0.00 1.61 7.64 -1.26 -5.03 113.62 114.65 1sj6 n SER 14 Ca 0.00 -1.65 0.03 0.00 1.01 0.00 0.00 58.87 58.27 1sj6 n SER 14 Cb 0.45 -0.90 -0.05 0.00 -1.01 0.00 0.00 64.21 62.70 1sj6 n SER 14 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1sj6 n ARG 15 N -3.52 2.76 -0.11 1.43 0.63 -1.26 -4.41 116.66 112.17 1sj6 n ARG 15 Ca 0.16 -0.03 -0.14 0.00 -0.92 0.00 0.00 57.85 56.92 1sj6 n ARG 15 Cb 0.57 -0.98 -0.14 0.00 0.45 0.00 0.00 32.46 32.37 1sj6 n ARG 15 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1sj6 n GLU 16 N -1.42 0.68 0.13 -0.14 1.02 -1.26 -4.37 120.64 115.28 1sj6 n GLU 16 Ca 0.00 0.07 0.01 0.00 -0.02 0.00 0.00 57.16 57.22 1sj6 n GLU 16 Cb 0.14 -1.51 0.33 0.00 -0.02 0.00 0.00 31.44 30.38 1sj6 n GLU 16 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1sj6 h ILE 17 N 0.00 1.25 -0.80 -3.67 2.04 -1.99 -2.85 117.51 111.49 1sj6 h ILE 17 Ca -0.56 -1.16 -0.00 0.00 1.00 0.00 0.00 64.86 64.14 1sj6 h ILE 17 Cb 2.06 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 39.60 1sj6 h ILE 17 CO -0.03 0.35 0.50 0.11 0.00 0.00 0.00 178.15 179.07 1sj6 h LYS 18 N 0.16 1.08 0.00 2.37 1.57 -1.77 -1.55 116.57 118.42 1sj6 h LYS 18 Ca 0.02 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1sj6 h LYS 18 Cb 0.60 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1sj6 h LYS 18 CO 0.04 0.75 -0.42 1.03 -0.57 0.00 0.00 179.45 180.28 1sj6 h SER 19 N 1.09 0.00 0.26 0.86 0.87 -1.71 -1.69 113.55 113.22 1sj6 h SER 19 Ca 0.29 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 1sj6 h SER 19 Cb -0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1sj6 h SER 19 CO -0.06 0.42 -0.12 1.56 -0.53 0.00 0.00 176.83 178.10 1sj6 h GLN 20 N 0.00 -0.33 -0.48 2.24 7.50 -1.18 -2.66 115.11 120.19 1sj6 h GLN 20 Ca -0.00 0.02 0.05 0.00 0.50 0.00 0.00 58.65 59.22 1sj6 h GLN 20 Cb 0.84 0.08 -0.03 0.00 0.05 0.00 0.00 27.48 28.42 1sj6 h GLN 20 CO 0.05 -0.22 0.32 -0.56 -1.50 0.00 0.00 178.83 176.93 1sj6 h GLN 21 N -0.66 0.44 -0.70 1.46 3.07 -1.40 -1.77 115.11 115.55 1sj6 h GLN 21 Ca -0.04 -0.03 -0.03 0.00 0.09 0.00 0.00 58.65 58.65 1sj6 h GLN 21 Cb 0.26 -0.10 -0.03 0.00 0.08 0.00 0.00 27.48 27.69 1sj6 h GLN 21 CO 0.06 0.29 0.33 0.66 0.09 0.00 0.00 178.83 180.26 1sj6 h SER 22 N 0.46 0.91 0.37 0.06 4.64 -1.38 -1.39 113.55 117.22 1sj6 h SER 22 Ca 0.21 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 1sj6 h SER 22 Cb 0.24 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1sj6 h SER 22 CO -0.05 0.79 -0.18 -0.08 -0.87 0.00 0.00 176.83 176.44 1sj6 h GLU 23 N 0.97 -0.48 -0.21 4.77 4.57 -0.95 -1.49 114.58 121.77 1sj6 h GLU 23 Ca 0.24 0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.50 1sj6 h GLU 23 Cb 0.12 0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.77 1sj6 h GLU 23 CO -0.03 -0.20 -0.13 0.28 -1.18 0.00 0.00 179.01 177.75 1sj6 h VAL 24 N -0.70 0.62 -0.06 0.32 2.07 -1.43 -0.66 116.25 116.40 1sj6 h VAL 24 Ca -0.05 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1sj6 h VAL 24 Cb 0.49 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1sj6 h VAL 24 CO 0.08 0.00 0.04 0.71 0.02 0.00 0.00 177.57 178.42 1sj6 h THR 25 N -0.12 1.00 -0.54 2.57 1.35 -1.26 -1.64 112.91 114.28 1sj6 h THR 25 Ca 0.12 -0.02 -0.10 0.00 -0.55 0.00 0.00 66.41 65.86 1sj6 h THR 25 Cb 0.30 0.94 -0.02 0.00 -1.73 0.00 0.00 68.15 67.64 1sj6 h THR 25 CO -0.28 0.01 -0.07 -0.09 -0.25 0.00 0.00 175.52 174.84 1sj6 h ARG 26 N 0.06 0.97 0.26 4.72 2.43 -0.03 0.78 114.38 123.57 1sj6 h ARG 26 Ca 0.02 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 1sj6 h ARG 26 Cb 0.03 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1sj6 h ARG 26 CO -0.00 1.00 -0.13 0.82 -1.51 0.00 0.00 179.97 180.15 1sj6 h ILE 27 N 0.88 0.60 -0.37 1.20 1.08 -0.69 -1.80 117.51 118.39 1sj6 h ILE 27 Ca 0.15 -0.88 0.02 0.00 -0.39 0.00 0.00 64.86 63.75 1sj6 h ILE 27 Cb 0.61 0.97 -0.02 0.00 -3.07 0.00 0.00 36.82 35.30 1sj6 h ILE 27 CO 0.04 0.14 0.22 -0.07 -0.69 0.00 0.00 178.15 177.79 1sj6 h LEU 28 N -0.92 0.35 0.20 1.44 3.38 -1.43 -1.01 115.31 117.32 1sj6 h LEU 28 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1sj6 h LEU 28 Cb 0.50 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1sj6 h LEU 28 CO 0.06 0.26 -0.16 -0.78 0.09 0.00 0.00 178.44 177.90 1sj6 h ASP 29 N 0.44 -0.42 -0.10 -0.43 1.82 -0.93 -1.91 116.42 114.90 1sj6 h ASP 29 Ca 0.15 0.04 0.03 0.00 -0.39 0.00 0.00 57.03 56.85 1sj6 h ASP 29 Cb 0.00 0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.15 1sj6 h ASP 29 CO -0.07 -0.25 0.08 1.23 -1.61 0.00 0.00 179.24 178.62 1sj6 h GLY 30 N -0.37 0.00 2.00 -0.78 0.00 -1.14 0.13 103.07 102.91 1sj6 h GLY 30 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1sj6 h GLY 30 CO -0.02 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.80 1sj6 n LYS 31 N -4.28 0.07 -3.09 4.80 5.02 -0.40 -4.91 118.16 115.36 1sj6 n LYS 31 Ca -0.01 0.13 -0.14 0.00 -2.02 0.00 0.00 58.31 56.28 1sj6 n LYS 31 Cb 0.19 -1.59 0.05 0.00 -0.02 0.00 0.00 35.03 33.66 1sj6 n LYS 31 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1sj6 n ARG 32 N -1.70 -4.73 -2.69 1.97 0.63 0.44 -5.02 116.66 105.56 1sj6 n ARG 32 Ca 0.06 0.52 -0.28 0.00 -0.92 0.00 0.00 57.85 57.23 1sj6 n ARG 32 Cb 0.31 -4.62 -0.01 0.00 0.45 0.00 0.00 32.46 28.60 1sj6 n ARG 32 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1sj6 s ILE 33 N -3.21 4.90 -0.39 5.15 1.01 -1.08 -5.02 121.20 122.56 1sj6 s ILE 33 Ca 0.25 0.25 0.07 0.00 0.00 0.00 0.00 60.65 61.21 1sj6 s ILE 33 Cb -0.11 -3.84 0.43 0.00 0.01 0.00 0.00 42.46 38.95 1sj6 s ILE 33 CO 0.46 -0.79 1.11 0.00 0.00 0.00 0.00 174.94 175.72 1sj6 n GLN 34 N -2.09 3.24 -2.11 2.79 3.00 -1.26 -4.90 117.38 116.06 1sj6 n GLN 34 Ca 0.01 -4.31 -0.29 0.00 -0.01 0.00 0.00 57.00 52.40 1sj6 n GLN 34 Cb 0.55 -2.16 0.04 0.00 0.00 0.00 0.00 30.24 28.67 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 -3.53 3.30 0.38 1.08 1.13 -1.26 -4.93 117.35 113.53 1sj6 s TYR 35 Ca 0.46 0.88 -0.05 0.00 -1.41 0.00 0.00 57.07 56.95 1sj6 s TYR 35 Cb 0.40 -2.92 -0.05 0.00 -1.10 0.00 0.00 41.96 38.30 1sj6 s TYR 35 CO -0.12 -1.02 0.67 -1.14 -2.51 0.00 0.00 175.55 171.43 1sj6 s GLN 36 N -5.20 3.61 -0.30 -3.49 2.00 0.07 -4.95 119.66 111.40 1sj6 s GLN 36 Ca 0.56 0.10 -0.02 0.00 -2.00 0.00 0.00 55.36 54.01 1sj6 s GLN 36 Cb -0.11 -2.51 0.10 0.00 0.80 0.00 0.00 33.01 31.29 1sj6 s GLN 36 CO 0.49 0.02 0.10 -1.17 -0.50 0.00 0.00 175.29 174.23 1sj6 s LEU 37 N -4.13 1.74 -1.30 3.68 2.96 -1.26 -1.22 118.68 119.16 1sj6 s LEU 37 Ca 0.46 -1.50 -0.18 0.00 -0.22 0.00 0.00 54.13 52.68 1sj6 s LEU 37 Cb -0.10 -0.72 0.07 0.00 0.50 0.00 0.00 46.19 45.94 1sj6 s LEU 37 CO 0.36 -0.42 1.75 1.33 -1.32 0.00 0.00 176.35 178.05 1sj6 n VAL 38 N 4.96 3.90 -2.56 1.68 0.24 0.21 -4.84 118.33 121.93 1sj6 n VAL 38 Ca -0.03 -4.06 -0.43 0.00 -2.04 0.00 0.00 64.34 57.77 1sj6 n VAL 38 Cb 0.42 -2.35 -0.02 0.00 -1.47 0.00 0.00 33.84 30.43 1sj6 n VAL 38 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1sj6 s ASP 39 N 4.28 6.75 0.15 -1.34 -1.08 -1.26 -3.26 116.67 120.91 1sj6 s ASP 39 Ca 0.54 0.92 0.22 0.00 -0.52 0.00 0.00 52.55 53.72 1sj6 s ASP 39 Cb 0.04 -2.54 0.88 0.00 -1.46 0.00 0.00 42.92 39.84 1sj6 s ASP 39 CO 0.08 -1.06 1.68 2.30 0.52 0.00 0.00 175.17 178.68 1sj6 n ILE 40 N 6.29 0.75 0.29 4.11 -5.35 -0.87 -2.99 119.36 121.60 1sj6 n ILE 40 Ca 0.13 0.13 0.14 0.00 -0.27 0.00 0.00 62.75 62.88 1sj6 n ILE 40 Cb 0.47 -0.96 0.89 0.00 -1.74 0.00 0.00 39.64 38.31 1sj6 n ILE 40 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 1sj6 h SER 41 N 0.00 0.00 0.27 7.28 0.87 -1.90 -3.06 113.55 117.01 1sj6 h SER 41 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1sj6 h SER 41 Cb 0.41 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1sj6 h SER 41 CO 0.00 0.00 -0.15 -0.61 -0.53 0.00 0.00 176.83 175.54 1sj6 h GLN 42 N 0.00 -0.38 -6.81 2.24 -0.00 -1.90 -3.45 115.11 104.82 1sj6 h GLN 42 Ca 0.00 0.03 -0.69 0.00 -0.00 0.00 0.00 58.65 57.99 1sj6 h GLN 42 Cb 0.01 0.09 -0.23 0.00 0.00 0.00 0.00 27.48 27.34 1sj6 h GLN 42 CO -0.00 -0.25 -0.86 0.34 0.00 0.00 0.00 178.83 178.06 1sj6 s ASP 43 N -2.71 3.41 0.49 -0.69 2.15 -1.15 -5.02 116.67 113.14 1sj6 s ASP 43 Ca -0.06 -0.65 0.25 0.00 0.43 0.00 0.00 52.55 52.52 1sj6 s ASP 43 Cb 0.01 -0.32 1.25 0.00 -0.30 0.00 0.00 42.92 43.56 1sj6 s ASP 43 CO 0.19 0.21 1.99 0.78 -0.17 0.00 0.00 175.17 178.16 1sj6 h ASN 44 N 4.15 0.00 -0.71 -0.34 2.35 -1.87 -2.88 115.58 116.28 1sj6 h ASN 44 Ca -0.49 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.27 1sj6 h ASN 44 Cb 1.16 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.49 1sj6 h ASN 44 CO 0.42 0.17 0.46 0.00 -1.65 0.00 0.00 177.43 176.83 1sj6 h ALA 45 N 1.83 0.91 -0.55 -0.83 0.00 -1.95 -1.92 119.26 116.75 1sj6 h ALA 45 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1sj6 h ALA 45 Cb 0.46 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1sj6 h ALA 45 CO 0.02 0.30 0.27 -0.07 0.00 0.00 0.00 179.25 179.77 1sj6 h LEU 46 N 0.94 0.68 0.25 0.00 4.07 -1.78 0.15 115.31 119.63 1sj6 h LEU 46 Ca 0.27 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.16 1sj6 h LEU 46 Cb -0.07 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.49 1sj6 h LEU 46 CO -0.07 0.58 -0.12 0.03 -1.08 0.00 0.00 178.44 177.78 1sj6 h ARG 47 N 0.77 -0.32 -0.00 1.13 3.08 -1.43 0.22 114.38 117.82 1sj6 h ARG 47 Ca 0.19 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1sj6 h ARG 47 Cb 0.07 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1sj6 h ARG 47 CO -0.03 -0.10 0.00 -0.25 -1.07 0.00 0.00 179.97 178.53 1sj6 n ASP 48 N -5.16 0.09 -0.11 7.04 9.92 -0.92 -2.61 116.55 124.80 1sj6 n ASP 48 Ca -0.09 -1.06 -0.12 0.00 -0.53 0.00 0.00 54.79 52.98 1sj6 n ASP 48 Cb 0.20 -0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.54 1sj6 n ASP 48 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1sj6 n GLU 49 N -0.91 0.69 0.08 -1.24 4.07 0.52 -4.38 120.64 119.47 1sj6 n GLU 49 Ca 0.23 0.04 -0.10 0.00 -0.06 0.00 0.00 57.16 57.27 1sj6 n GLU 49 Cb 0.12 -1.52 -0.08 0.00 -0.06 0.00 0.00 31.44 29.90 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 0.13 -0.41 5.31 4.05 -0.52 -2.72 114.93 120.77 1sj6 h MET 50 Ca -0.55 -0.19 0.09 0.00 -0.28 0.00 0.00 59.70 58.76 1sj6 h MET 50 Cb 2.13 0.07 -0.09 0.00 -0.80 0.00 0.00 31.60 32.91 1sj6 h MET 50 CO -0.01 1.03 -0.17 0.00 0.23 0.00 0.00 176.91 177.99 1sj6 h ARG 51 N 0.05 -0.08 0.00 0.39 -0.00 -1.70 0.51 114.38 113.55 1sj6 h ARG 51 Ca -0.05 0.01 -0.20 0.00 -0.50 0.00 0.00 59.98 59.23 1sj6 h ARG 51 Cb 1.72 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 31.70 1sj6 h ARG 51 CO 0.15 -0.06 -0.89 0.00 0.00 0.00 0.00 179.97 179.17 1sj6 h ALA 52 N 1.24 0.49 0.00 0.04 0.00 -1.77 -2.70 119.26 116.55 1sj6 h ALA 52 Ca 0.20 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1sj6 h ALA 52 Cb 0.40 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1sj6 h ALA 52 CO -0.47 0.90 -0.12 1.25 0.00 0.00 0.00 179.25 180.80 1sj6 h LEU 53 N 0.13 0.00 -1.32 0.00 5.85 -0.87 -1.21 115.31 117.88 1sj6 h LEU 53 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1sj6 h LEU 53 Cb 1.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.56 1sj6 h LEU 53 CO 0.14 0.12 0.00 0.00 -0.34 0.00 0.00 178.44 178.36 1sj6 n ALA 54 N -2.51 2.53 -3.68 1.25 0.00 0.17 -4.78 120.51 113.49 1sj6 n ALA 54 Ca -0.03 -0.54 -0.22 0.00 0.00 0.00 0.00 53.44 52.65 1sj6 n ALA 54 Cb 0.19 -1.04 0.05 0.00 0.00 0.00 0.00 19.45 18.65 1sj6 n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sj6 n GLY 55 N 1.24 -0.35 0.00 0.00 0.00 -0.46 -4.95 105.19 100.66 1sj6 n GLY 55 Ca 0.17 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.03 0.00 -1.18 1.61 2.04 -1.03 -5.03 115.26 108.64 1sj6 n ASN 56 Ca -0.22 0.00 -0.03 0.00 -0.44 0.00 0.00 54.58 53.89 1sj6 n ASN 56 Cb 0.64 0.00 0.08 0.00 -2.53 0.00 0.00 39.78 37.98 1sj6 n ASN 56 CO 0.00 0.00 0.00 -0.81 -0.44 0.00 0.00 177.26 176.01 1sj6 n PRO 57 N 0.00 1.72 0.00 -0.53 -0.05 -1.26 -3.33 135.00 131.55 1sj6 n PRO 57 Ca 0.00 -0.93 0.00 0.00 -0.05 0.00 0.00 63.50 62.52 1sj6 n PRO 57 Cb 0.00 -1.52 0.00 0.00 -0.05 0.00 0.00 33.50 31.93 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 0.08 -0.46 0.00 0.54 5.02 -1.26 -5.07 118.16 117.01 1sj6 n LYS 58 Ca 0.14 -0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1sj6 n LYS 58 Cb 0.72 -0.81 0.00 0.00 -0.02 0.00 0.00 35.03 34.92 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 -0.03 0.00 -2.59 7.82 0.00 -1.21 -5.08 120.51 119.42 1sj6 n ALA 59 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1sj6 n ALA 59 Cb 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.21 0.12 0.23 0.00 -4.23 -1.26 -5.07 115.64 105.23 1sj6 s THR 60 Ca 0.00 -1.27 -0.12 0.00 -1.18 0.00 0.00 61.69 59.12 1sj6 s THR 60 Cb 0.00 -1.51 0.30 0.00 1.34 0.00 0.00 72.50 72.63 1sj6 s THR 60 CO 0.00 -0.54 1.60 -0.65 -0.54 0.00 0.00 174.62 174.49 1sj6 h PRO 61 N 2.69 -0.01 -5.38 3.99 0.11 -1.90 -3.32 132.00 128.17 1sj6 h PRO 61 Ca -0.33 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.62 1sj6 h PRO 61 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1sj6 h PRO 61 CO 0.54 -0.01 0.45 -1.25 -0.21 0.00 0.00 178.00 177.52 1sj6 s PRO 62 N -6.22 1.89 -0.19 1.05 0.04 -1.23 -2.07 135.00 128.26 1sj6 s PRO 62 Ca -0.15 -0.38 -0.03 0.00 0.04 0.00 0.00 61.00 60.48 1sj6 s PRO 62 Cb 0.22 -5.02 0.06 0.00 0.04 0.00 0.00 34.50 29.80 1sj6 s PRO 62 CO 0.75 -4.44 0.04 -0.65 0.04 0.00 0.00 177.00 172.73 1sj6 s GLN 63 N 7.75 0.65 0.13 4.56 -1.52 -0.72 -3.02 119.66 127.48 1sj6 s GLN 63 Ca 0.78 -0.43 -0.30 0.00 -1.95 0.00 0.00 55.36 53.47 1sj6 s GLN 63 Cb -0.06 -2.12 -0.06 0.00 -0.22 0.00 0.00 33.01 30.55 1sj6 s GLN 63 CO 0.11 -0.64 0.95 0.42 -0.25 0.00 0.00 175.29 175.87 1sj6 s ILE 64 N 1.86 4.45 -0.01 1.08 1.09 -0.97 0.78 121.20 129.47 1sj6 s ILE 64 Ca -0.01 2.06 0.03 0.00 -1.10 0.00 0.00 60.65 61.63 1sj6 s ILE 64 Cb -0.17 -4.32 -0.01 0.00 -1.06 0.00 0.00 42.46 36.90 1sj6 s ILE 64 CO -0.08 0.35 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.32 1sj6 s VAL 65 N -0.17 0.73 -0.58 2.92 1.01 -0.87 -1.47 120.40 121.96 1sj6 s VAL 65 Ca 0.46 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 1sj6 s VAL 65 Cb -0.24 -0.62 0.15 0.00 0.00 0.00 0.00 36.38 35.68 1sj6 s VAL 65 CO 0.30 0.21 0.43 0.21 0.00 0.00 0.00 175.10 176.25 1sj6 s ASN 66 N -0.17 5.65 0.00 3.32 3.84 -1.19 -1.04 114.94 125.35 1sj6 s ASN 66 Ca 0.03 -2.39 0.00 0.00 0.21 0.00 0.00 52.86 50.70 1sj6 s ASN 66 Cb -0.04 -1.96 0.00 0.00 -0.55 0.00 0.00 41.25 38.70 1sj6 s ASN 66 CO -0.00 -0.54 0.00 0.61 -2.79 0.00 0.00 177.10 174.38 1sj6 n GLY 67 N 4.21 2.25 2.61 1.21 0.00 -1.26 -3.36 105.19 110.84 1sj6 n GLY 67 Ca 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 1sj6 n GLY 67 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sj6 n ASP 68 N 5.75 0.43 -4.12 1.61 5.68 -1.26 -4.84 116.55 119.79 1sj6 n ASP 68 Ca 0.00 -2.08 -0.08 0.00 -0.50 0.00 0.00 54.79 52.12 1sj6 n ASP 68 Cb 0.00 -0.05 -0.10 0.00 -1.14 0.00 0.00 41.12 39.83 1sj6 n ASP 68 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1sj6 s GLN 69 N -2.08 0.76 -0.69 0.11 -0.21 -1.21 -5.10 119.66 111.23 1sj6 s GLN 69 Ca 0.20 -1.32 -0.27 0.00 0.02 0.00 0.00 55.36 53.99 1sj6 s GLN 69 Cb 0.35 0.22 0.03 0.00 1.00 0.00 0.00 33.01 34.61 1sj6 s GLN 69 CO -0.08 -0.18 1.28 -0.47 -2.12 0.00 0.00 175.29 173.73 1sj6 s TYR 70 N -3.97 2.34 -0.13 0.91 5.04 -1.26 -3.14 117.35 117.14 1sj6 s TYR 70 Ca 0.15 0.11 -0.26 0.00 -2.44 0.00 0.00 57.07 54.63 1sj6 s TYR 70 Cb 0.08 -4.58 -0.23 0.00 0.35 0.00 0.00 41.96 37.58 1sj6 s TYR 70 CO -0.05 -1.97 0.71 0.00 -1.34 0.00 0.00 175.55 172.91 1sj6 n GLY 72 N 1.54 -0.66 0.00 0.00 0.00 -0.54 -5.01 105.19 100.52 1sj6 n GLY 72 Ca -0.09 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1sj6 n GLY 72 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sj6 n ASP 73 N 0.00 0.00 0.02 1.61 5.68 -1.26 -2.29 116.55 120.30 1sj6 n ASP 73 Ca 0.00 -0.28 -0.10 0.00 -0.50 0.00 0.00 54.79 53.91 1sj6 n ASP 73 Cb 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 1sj6 n ASP 73 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 1sj6 h TYR 74 N 0.28 -0.60 0.24 2.11 5.03 -1.94 0.33 116.97 122.43 1sj6 h TYR 74 Ca 0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1sj6 h TYR 74 Cb 0.00 0.28 -0.03 0.00 1.55 0.00 0.00 36.73 38.53 1sj6 h TYR 74 CO 0.00 -0.31 -0.48 1.49 -1.32 0.00 0.00 178.16 177.54 1sj6 h GLU 75 N -0.31 -0.75 0.30 1.82 4.22 -1.97 0.33 114.58 118.23 1sj6 h GLU 75 Ca 0.09 0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.58 1sj6 h GLU 75 Cb 0.44 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1sj6 h GLU 75 CO -0.27 -0.50 -0.46 -0.07 -2.18 0.00 0.00 179.01 175.53 1sj6 h LEU 76 N -0.78 -1.30 -0.61 1.64 4.07 -1.93 0.25 115.31 116.66 1sj6 h LEU 76 Ca -0.03 0.12 0.12 0.00 0.08 0.00 0.00 57.88 58.18 1sj6 h LEU 76 Cb 0.73 0.46 -0.12 0.00 1.08 0.00 0.00 40.66 42.81 1sj6 h LEU 76 CO -0.18 -0.57 -0.22 0.15 -1.08 0.00 0.00 178.44 176.53 1sj6 h PHE 77 N -0.82 -0.54 -0.16 1.13 3.04 -0.85 0.35 116.94 119.10 1sj6 h PHE 77 Ca -0.02 0.06 -0.05 0.00 3.98 0.00 0.00 57.97 61.94 1sj6 h PHE 77 Cb 0.76 0.33 -0.01 0.00 2.56 0.00 0.00 35.95 39.60 1sj6 h PHE 77 CO -0.31 -0.32 -0.15 0.28 -2.02 0.00 0.00 178.31 175.80 1sj6 h VAL 78 N -0.07 1.19 0.00 1.41 2.07 -0.60 -1.40 116.25 118.86 1sj6 h VAL 78 Ca 0.28 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1sj6 h VAL 78 Cb 0.50 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1sj6 h VAL 78 CO -0.66 0.26 0.00 1.21 0.02 0.00 0.00 177.57 178.41 1sj6 n GLU 79 N -4.25 0.20 -0.10 1.57 2.13 0.11 -3.34 120.64 116.96 1sj6 n GLU 79 Ca -0.01 0.09 -0.18 0.00 0.66 0.00 0.00 57.16 57.72 1sj6 n GLU 79 Cb 0.29 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 30.42 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 -1.37 0.84 -0.10 4.31 0.00 -0.22 -4.29 120.51 119.68 1sj6 n ALA 80 Ca 0.09 -0.70 0.22 0.00 0.00 0.00 0.00 53.44 53.05 1sj6 n ALA 80 Cb 0.21 -0.13 0.67 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 0.67 -0.30 0.00 2.07 -1.58 0.99 116.25 117.11 1sj6 h VAL 81 Ca -0.30 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.20 1sj6 h VAL 81 Cb 1.15 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1sj6 h VAL 81 CO -0.18 0.01 0.17 1.05 0.02 0.00 0.00 177.57 178.64 1sj6 h GLU 82 N 0.08 0.33 -0.67 1.57 4.11 -1.75 -2.66 114.58 115.60 1sj6 h GLU 82 Ca 0.34 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.75 1sj6 h GLU 82 Cb 1.24 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1sj6 h GLU 82 CO -0.03 0.22 0.00 0.94 0.07 0.00 0.00 179.01 180.21 1sj6 n GLN 83 N -4.93 2.69 -1.14 1.06 7.27 -0.64 -4.91 117.38 116.78 1sj6 n GLN 83 Ca -0.01 -2.61 -0.05 0.00 0.07 0.00 0.00 57.00 54.40 1sj6 n GLN 83 Cb 0.06 -1.57 -0.02 0.00 2.41 0.00 0.00 30.24 31.12 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 1.65 -3.60 0.16 1.69 2.85 -0.10 -4.90 115.26 113.01 1sj6 n ASN 84 Ca 0.24 0.12 0.12 0.00 -0.11 0.00 0.00 54.58 54.95 1sj6 n ASN 84 Cb 0.63 -1.52 0.17 0.00 1.24 0.00 0.00 39.78 40.30 1sj6 n ASN 84 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1sj6 h THR 85 N 0.00 0.00 -0.60 -0.44 1.35 0.67 -3.37 112.91 110.53 1sj6 h THR 85 Ca -0.10 -0.85 0.19 0.00 -0.55 0.00 0.00 66.41 65.10 1sj6 h THR 85 Cb 0.32 1.69 -0.11 0.00 -1.73 0.00 0.00 68.15 68.32 1sj6 h THR 85 CO 0.14 0.00 0.12 -0.11 -0.25 0.00 0.00 175.52 175.42 1sj6 n LEU 86 N -2.75 0.02 0.31 3.87 7.94 -0.89 0.30 117.00 125.81 1sj6 n LEU 86 Ca 0.03 1.00 -0.15 0.00 -1.11 0.00 0.00 56.01 55.78 1sj6 n LEU 86 Cb 0.51 -0.41 -0.08 0.00 0.53 0.00 0.00 43.42 43.97 1sj6 n LEU 86 CO 0.35 -1.05 0.52 -0.61 -1.11 0.00 0.00 177.39 175.49 1sj6 h GLN 87 N 0.00 -0.88 -0.69 1.96 4.15 -1.90 0.99 115.11 118.73 1sj6 h GLN 87 Ca 0.41 0.06 0.20 0.00 0.77 0.00 0.00 58.65 60.09 1sj6 h GLN 87 Cb 0.94 0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.81 1sj6 h GLN 87 CO -0.53 -0.59 0.93 0.93 -1.93 0.00 0.00 178.83 177.65 1sj6 h GLU 88 N -0.91 0.00 0.00 1.69 5.08 -0.35 1.41 114.58 121.50 1sj6 h GLU 88 Ca -0.08 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.01 1sj6 h GLU 88 Cb 0.74 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.94 1sj6 h GLU 88 CO 0.05 0.00 -2.28 0.34 -1.00 0.00 0.00 179.01 176.12 1sj6 n PHE 89 N -3.27 0.00 0.00 4.33 -0.00 -0.69 -3.87 117.46 113.96 1sj6 n PHE 89 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.60 1sj6 n PHE 89 Cb 1.16 -0.86 0.00 0.00 -0.00 0.00 0.00 39.48 39.77 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 -2.62 0.02 0.15 -2.13 4.77 0.33 -4.69 117.00 112.84 1sj6 n LEU 90 Ca -0.25 0.07 0.12 0.00 -0.03 0.00 0.00 56.01 55.91 1sj6 n LEU 90 Cb 1.00 -0.48 0.15 0.00 -2.33 0.00 0.00 43.42 41.76 1sj6 n LEU 90 CO 0.44 -0.48 0.54 0.11 -1.33 0.00 0.00 177.39 176.66 1sj6 h LYS 91 N 0.00 0.00 0.00 3.23 1.79 -0.33 -3.48 116.57 117.78 1sj6 h LYS 91 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1sj6 h LYS 91 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1sj6 h LYS 91 CO 0.00 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.65 1sj6 n LEU 92 N -2.75 0.00 0.11 2.94 7.99 0.40 -3.78 117.00 121.91 1sj6 n LEU 92 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.03 1sj6 n LEU 92 Cb 0.51 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.82 1sj6 n LEU 92 CO 0.36 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.24 1sj6 n ALA 93 N 1.00 0.00 -2.65 -1.18 0.00 -1.26 -4.33 120.51 112.09 1sj6 n ALA 93 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1sj6 n ALA 93 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1sj6 n ALA 93 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1sj6 n LEU 94 N -2.96 -6.57 0.00 0.00 7.94 -1.25 -5.19 117.00 108.97 1sj6 n LEU 94 Ca 0.00 2.08 0.00 0.00 -1.11 0.00 0.00 56.01 56.98 1sj6 n LEU 94 Cb 0.00 -3.27 0.00 0.00 0.53 0.00 0.00 43.42 40.68 1sj6 n LEU 94 CO 0.00 -3.85 0.00 -0.62 -1.11 0.00 0.00 177.39 171.81