#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 4.58 -0.02 3.17 0.15 -1.26 -4.95 113.70 115.37 1sj6 s SER 2 Ca 0.00 -1.71 -0.23 0.00 0.70 0.00 0.00 55.95 54.71 1sj6 s SER 2 Cb 0.00 -1.58 0.05 0.00 -1.71 0.00 0.00 66.02 62.78 1sj6 s SER 2 CO 0.00 -0.27 0.49 -0.83 1.20 0.00 0.00 173.24 173.83 1sj6 s GLY 3 N 1.02 -0.37 -0.13 9.45 0.00 -1.26 -5.04 107.32 110.99 1sj6 s GLY 3 Ca -0.01 0.77 -0.05 0.00 0.00 0.00 0.00 44.72 45.43 1sj6 s GLY 3 CO -0.06 0.49 0.05 1.08 0.00 0.00 0.00 173.10 174.66 1sj6 s LEU 4 N -1.37 3.84 -0.24 0.66 1.43 -1.26 0.97 118.68 122.71 1sj6 s LEU 4 Ca -0.11 0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 53.15 1sj6 s LEU 4 Cb -0.02 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.28 1sj6 s LEU 4 CO 0.06 0.31 -0.04 -0.13 0.23 0.00 0.00 176.35 176.77 1sj6 s ARG 5 N -0.42 3.07 -0.29 1.70 0.52 0.69 -1.69 118.95 122.52 1sj6 s ARG 5 Ca 0.09 -0.83 -0.11 0.00 -0.52 0.00 0.00 55.73 54.37 1sj6 s ARG 5 Cb -0.12 -3.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.29 1sj6 s ARG 5 CO 0.02 -0.32 0.18 0.08 0.02 0.00 0.00 175.30 175.27 1sj6 s VAL 6 N 1.40 5.08 0.24 3.52 1.01 -1.01 0.05 120.40 130.69 1sj6 s VAL 6 Ca 0.03 -0.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.74 1sj6 s VAL 6 Cb -0.16 -3.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 1sj6 s VAL 6 CO -0.04 0.19 0.85 -0.31 0.00 0.00 0.00 175.10 175.80 1sj6 s TYR 7 N 1.72 3.79 0.26 5.22 2.02 -0.67 -0.04 117.35 129.64 1sj6 s TYR 7 Ca 0.06 1.68 -0.21 0.00 -0.37 0.00 0.00 57.07 58.23 1sj6 s TYR 7 Cb -0.16 -2.82 0.03 0.00 -0.40 0.00 0.00 41.96 38.61 1sj6 s TYR 7 CO 0.09 0.36 0.70 -1.12 -1.57 0.00 0.00 175.55 174.02 1sj6 s SER 8 N -1.43 -0.31 -0.24 2.29 0.01 -1.05 -3.37 113.70 109.60 1sj6 s SER 8 Ca 0.43 -0.50 -0.00 0.00 1.31 0.00 0.00 55.95 57.18 1sj6 s SER 8 Cb -0.21 0.71 0.07 0.00 0.21 0.00 0.00 66.02 66.80 1sj6 s SER 8 CO 0.25 -1.28 0.00 0.28 0.41 0.00 0.00 173.24 172.90 1sj6 s THR 9 N -3.89 1.14 0.54 1.44 -1.32 -1.26 -1.75 115.64 110.54 1sj6 s THR 9 Ca 0.09 -1.09 0.21 0.00 -1.21 0.00 0.00 61.69 59.70 1sj6 s THR 9 Cb -0.05 -1.57 0.32 0.00 -1.51 0.00 0.00 72.50 69.69 1sj6 s THR 9 CO 0.04 -0.25 2.13 0.77 -2.21 0.00 0.00 174.62 175.09 1sj6 h SER 10 N 8.05 0.00 0.00 8.08 4.64 -1.97 -3.14 113.55 129.22 1sj6 h SER 10 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1sj6 h SER 10 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1sj6 h SER 10 CO 0.40 0.00 -0.18 0.58 -0.87 0.00 0.00 176.83 176.76 1sj6 h VAL 11 N 0.00 0.00 -3.21 0.95 2.07 -1.94 -3.51 116.25 110.61 1sj6 h VAL 11 Ca 0.06 -0.85 0.33 0.00 0.82 0.00 0.00 66.70 67.06 1sj6 h VAL 11 Cb 0.28 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.88 1sj6 h VAL 11 CO -0.00 0.00 -1.07 0.41 0.02 0.00 0.00 177.57 176.93 1sj6 n THR 12 N -4.33 -0.59 -0.01 2.57 -1.04 -1.19 -4.93 114.28 104.77 1sj6 n THR 12 Ca -0.03 0.74 -0.01 0.00 -2.04 0.00 0.00 64.05 62.72 1sj6 n THR 12 Cb 0.10 -1.19 -0.01 0.00 -1.82 0.00 0.00 70.33 67.40 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 -4.18 -0.03 2.16 3.41 0.00 -1.26 -5.07 105.19 100.22 1sj6 n GLY 13 Ca -0.07 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.38 0.51 -0.00 1.61 7.64 -1.26 -5.03 113.62 114.71 1sj6 n SER 14 Ca -0.02 -1.51 0.05 0.00 1.01 0.00 0.00 58.87 58.39 1sj6 n SER 14 Cb 0.53 -0.43 -0.06 0.00 -1.01 0.00 0.00 64.21 63.24 1sj6 n SER 14 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1sj6 n ARG 15 N -2.22 2.51 -0.11 1.43 1.74 -1.26 -4.48 116.66 114.27 1sj6 n ARG 15 Ca 0.09 -0.03 -0.12 0.00 -0.77 0.00 0.00 57.85 57.02 1sj6 n ARG 15 Cb 0.33 -1.06 -0.15 0.00 -1.02 0.00 0.00 32.46 30.56 1sj6 n ARG 15 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1sj6 n GLU 16 N -1.46 0.70 0.23 5.56 1.02 -1.26 -4.32 120.64 121.11 1sj6 n GLU 16 Ca 0.00 0.03 0.06 0.00 -0.02 0.00 0.00 57.16 57.24 1sj6 n GLU 16 Cb 0.19 -1.52 0.54 0.00 -0.02 0.00 0.00 31.44 30.64 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 1.09 -0.43 -3.67 2.04 -1.99 -2.05 117.51 112.49 1sj6 h ILE 17 Ca -0.55 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 64.81 1sj6 h ILE 17 Cb 2.14 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 39.41 1sj6 h ILE 17 CO -0.00 0.12 -0.03 0.11 0.00 0.00 0.00 178.15 178.35 1sj6 h LYS 18 N 0.02 0.72 0.00 2.37 1.57 -1.79 -2.45 116.57 117.02 1sj6 h LYS 18 Ca 0.00 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.50 1sj6 h LYS 18 Cb 0.21 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1sj6 h LYS 18 CO 0.02 0.76 -0.38 1.03 -0.57 0.00 0.00 179.45 180.30 1sj6 h SER 19 N 0.68 0.00 -0.85 0.86 0.87 -1.58 -2.84 113.55 110.68 1sj6 h SER 19 Ca 0.13 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 1sj6 h SER 19 Cb 0.46 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 1sj6 h SER 19 CO 0.02 0.38 0.43 1.56 -0.53 0.00 0.00 176.83 178.70 1sj6 h GLN 20 N 0.00 1.21 -0.03 2.24 1.08 -1.30 -0.67 115.11 117.65 1sj6 h GLN 20 Ca -0.00 -0.16 -0.19 0.00 -1.45 0.00 0.00 58.65 56.84 1sj6 h GLN 20 Cb 0.78 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 1sj6 h GLN 20 CO 0.05 0.91 -0.82 1.96 -0.95 0.00 0.00 178.83 179.99 1sj6 h GLN 21 N 1.20 0.30 -0.16 1.46 4.20 -1.52 -3.05 115.11 117.55 1sj6 h GLN 21 Ca 0.30 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1sj6 h GLN 21 Cb 0.08 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1sj6 h GLN 21 CO -0.04 0.97 -0.02 1.03 -0.67 0.00 0.00 178.83 180.10 1sj6 h SER 22 N 0.19 0.29 -0.92 1.46 0.87 -1.24 -2.73 113.55 111.47 1sj6 h SER 22 Ca -0.04 -0.33 0.04 0.00 -1.23 0.00 0.00 61.79 60.22 1sj6 h SER 22 Cb 1.42 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 63.24 1sj6 h SER 22 CO 0.13 0.55 0.59 -0.08 -0.53 0.00 0.00 176.83 177.50 1sj6 h GLU 23 N 0.01 1.10 0.85 2.24 4.57 -1.19 0.92 114.58 123.08 1sj6 h GLU 23 Ca 0.04 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 1sj6 h GLU 23 Cb 0.42 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1sj6 h GLU 23 CO 0.01 0.73 -0.46 0.28 -1.18 0.00 0.00 179.01 178.39 1sj6 h VAL 24 N 1.13 0.00 -0.29 0.32 2.07 -1.45 -1.78 116.25 116.25 1sj6 h VAL 24 Ca 0.37 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.91 1sj6 h VAL 24 Cb 0.05 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 1sj6 h VAL 24 CO -0.13 0.00 0.19 0.71 0.02 0.00 0.00 177.57 178.36 1sj6 h THR 25 N -1.21 1.04 -0.39 2.57 1.35 -1.36 -1.71 112.91 113.20 1sj6 h THR 25 Ca -0.12 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1sj6 h THR 25 Cb 0.95 0.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.02 1sj6 h THR 25 CO 0.16 0.06 0.26 -0.09 -0.25 0.00 0.00 175.52 175.66 1sj6 h ARG 26 N 0.34 0.52 0.15 4.72 2.43 -0.52 0.53 114.38 122.54 1sj6 h ARG 26 Ca 0.11 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1sj6 h ARG 26 Cb 0.04 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1sj6 h ARG 26 CO -0.02 0.35 -0.07 0.82 -1.51 0.00 0.00 179.97 179.53 1sj6 h ILE 27 N 0.53 0.99 -0.45 1.20 2.04 -0.74 -1.33 117.51 119.75 1sj6 h ILE 27 Ca 0.14 -1.00 0.03 0.00 1.00 0.00 0.00 64.86 65.04 1sj6 h ILE 27 Cb -0.06 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1sj6 h ILE 27 CO -0.03 0.22 0.25 -0.07 0.00 0.00 0.00 178.15 178.52 1sj6 h LEU 28 N -0.71 0.39 -0.30 1.44 3.38 -1.30 -1.53 115.31 116.67 1sj6 h LEU 28 Ca -0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1sj6 h LEU 28 Cb 0.51 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1sj6 h LEU 28 CO 0.03 0.28 0.18 -0.78 0.09 0.00 0.00 178.44 178.24 1sj6 h ASP 29 N 0.50 0.36 -0.45 -0.43 3.58 0.01 -2.18 116.42 117.81 1sj6 h ASP 29 Ca 0.19 -0.05 0.06 0.00 0.42 0.00 0.00 57.03 57.64 1sj6 h ASP 29 Cb 0.05 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1sj6 h ASP 29 CO -0.11 0.31 0.30 1.23 -2.88 0.00 0.00 179.24 178.09 1sj6 h GLY 30 N 0.38 0.45 1.65 -0.78 0.00 -0.84 0.24 103.07 104.16 1sj6 h GLY 30 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1sj6 h GLY 30 CO -0.02 0.11 0.00 0.28 0.00 0.00 0.00 176.54 176.91 1sj6 n LYS 31 N -4.48 0.31 -3.37 4.80 5.02 -0.61 -4.90 118.16 114.93 1sj6 n LYS 31 Ca 0.06 0.04 -0.18 0.00 -2.02 0.00 0.00 58.31 56.21 1sj6 n LYS 31 Cb 0.25 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.83 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 -1.32 -6.46 -2.57 1.97 5.12 0.83 -4.99 116.66 109.23 1sj6 n ARG 32 Ca 0.11 0.75 -0.29 0.00 -1.93 0.00 0.00 57.85 56.50 1sj6 n ARG 32 Cb 0.22 -5.52 -0.01 0.00 -1.16 0.00 0.00 32.46 25.99 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 -3.31 4.84 -0.93 0.55 1.01 -1.08 -5.00 121.20 117.29 1sj6 s ILE 33 Ca 0.23 0.44 -0.02 0.00 0.00 0.00 0.00 60.65 61.31 1sj6 s ILE 33 Cb -0.10 -3.83 0.34 0.00 0.01 0.00 0.00 42.46 38.88 1sj6 s ILE 33 CO 0.65 -0.80 1.94 0.00 0.00 0.00 0.00 174.94 176.73 1sj6 n GLN 34 N -2.05 3.95 -3.31 2.79 1.13 -1.26 -4.90 117.38 113.71 1sj6 n GLN 34 Ca 0.02 -4.03 -0.18 0.00 -1.94 0.00 0.00 57.00 50.86 1sj6 n GLN 34 Cb 0.55 -2.36 -0.00 0.00 0.11 0.00 0.00 30.24 28.53 1sj6 n GLN 34 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 1sj6 s TYR 35 N -4.19 2.93 0.54 1.08 1.13 -1.26 -4.63 117.35 112.94 1sj6 s TYR 35 Ca 0.46 -0.33 0.02 0.00 -1.41 0.00 0.00 57.07 55.82 1sj6 s TYR 35 Cb 0.33 -2.16 0.02 0.00 -1.10 0.00 0.00 41.96 39.06 1sj6 s TYR 35 CO -0.29 -0.18 0.20 0.00 -2.51 0.00 0.00 175.55 172.77 1sj6 n GLN 36 N -1.70 0.71 -3.76 -3.49 0.00 -0.68 -5.00 117.38 103.45 1sj6 n GLN 36 Ca 0.04 -3.63 -0.30 0.00 0.00 0.00 0.00 57.00 53.10 1sj6 n GLN 36 Cb 0.59 0.70 -0.14 0.00 0.00 0.00 0.00 30.24 31.39 1sj6 n GLN 36 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1sj6 s LEU 37 N 0.00 2.69 -1.30 2.61 0.20 -1.26 -2.41 118.68 119.21 1sj6 s LEU 37 Ca 0.15 -2.03 -0.18 0.00 0.69 0.00 0.00 54.13 52.77 1sj6 s LEU 37 Cb -0.01 -1.01 0.06 0.00 -0.43 0.00 0.00 46.19 44.80 1sj6 s LEU 37 CO 0.10 -0.36 1.78 1.33 -0.29 0.00 0.00 176.35 178.90 1sj6 n VAL 38 N 4.35 3.82 -2.65 1.68 0.24 0.94 -4.91 118.33 121.79 1sj6 n VAL 38 Ca 0.02 -3.94 -0.42 0.00 -2.04 0.00 0.00 64.34 57.96 1sj6 n VAL 38 Cb 0.39 -2.36 -0.03 0.00 -1.47 0.00 0.00 33.84 30.38 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 7.28 0.00 -1.34 2.15 -1.26 -3.23 116.67 124.55 1sj6 s ASP 39 Ca 0.54 1.69 0.24 0.00 0.43 0.00 0.00 52.55 55.45 1sj6 s ASP 39 Cb 0.04 -2.57 0.32 0.00 -0.30 0.00 0.00 42.92 40.41 1sj6 s ASP 39 CO 0.07 -0.35 1.28 2.30 -0.17 0.00 0.00 175.17 178.31 1sj6 n ILE 40 N 4.08 0.00 0.25 4.11 -5.35 -0.72 -4.02 119.36 117.72 1sj6 n ILE 40 Ca 0.07 -0.00 0.10 0.00 -0.27 0.00 0.00 62.75 62.65 1sj6 n ILE 40 Cb 0.50 0.43 0.65 0.00 -1.74 0.00 0.00 39.64 39.47 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 0.36 7.28 0.87 -1.92 -3.21 113.55 116.93 1sj6 h SER 41 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1sj6 h SER 41 Cb 0.50 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1sj6 h SER 41 CO 0.00 0.16 -0.23 -0.61 -0.53 0.00 0.00 176.83 175.62 1sj6 h GLN 42 N 0.00 -0.53 -6.67 2.24 4.15 -1.92 -3.45 115.11 108.93 1sj6 h GLN 42 Ca -0.00 0.04 -0.66 0.00 0.77 0.00 0.00 58.65 58.79 1sj6 h GLN 42 Cb 0.38 0.12 -0.19 0.00 0.21 0.00 0.00 27.48 28.00 1sj6 h GLN 42 CO 0.02 -0.35 -0.83 0.34 -1.93 0.00 0.00 178.83 176.08 1sj6 s ASP 43 N -3.05 3.46 0.44 -0.69 2.15 -1.21 -5.03 116.67 112.75 1sj6 s ASP 43 Ca -0.09 -0.82 0.24 0.00 0.43 0.00 0.00 52.55 52.31 1sj6 s ASP 43 Cb 0.01 -0.28 0.93 0.00 -0.30 0.00 0.00 42.92 43.28 1sj6 s ASP 43 CO 0.27 0.13 1.83 0.78 -0.17 0.00 0.00 175.17 178.02 1sj6 h ASN 44 N 3.33 0.00 -0.40 -0.34 2.35 -1.87 -2.99 115.58 115.67 1sj6 h ASN 44 Ca -0.47 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.23 1sj6 h ASN 44 Cb 1.20 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.55 1sj6 h ASN 44 CO 0.46 0.24 0.09 0.00 -1.65 0.00 0.00 177.43 176.57 1sj6 h ALA 45 N 1.76 1.29 -0.28 -0.83 0.00 -1.96 -2.20 119.26 117.05 1sj6 h ALA 45 Ca -0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1sj6 h ALA 45 Cb 0.73 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1sj6 h ALA 45 CO 0.03 0.50 -0.06 -0.07 0.00 0.00 0.00 179.25 179.65 1sj6 h LEU 46 N 0.69 0.42 -0.16 0.00 3.38 -1.79 0.97 115.31 118.82 1sj6 h LEU 46 Ca 0.15 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1sj6 h LEU 46 Cb 0.29 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1sj6 h LEU 46 CO 0.00 0.53 -0.01 0.03 0.09 0.00 0.00 178.44 179.08 1sj6 h ARG 47 N 0.42 0.30 -0.01 1.13 3.08 -1.50 -0.41 114.38 117.38 1sj6 h ARG 47 Ca 0.09 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1sj6 h ARG 47 Cb 0.37 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1sj6 h ARG 47 CO 0.02 0.54 0.00 -0.25 -1.07 0.00 0.00 179.97 179.20 1sj6 n ASP 48 N -4.72 0.54 -0.09 7.04 9.92 -1.05 -2.61 116.55 125.58 1sj6 n ASP 48 Ca -0.05 -1.22 -0.09 0.00 -0.53 0.00 0.00 54.79 52.90 1sj6 n ASP 48 Cb 0.23 -0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.55 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 -0.56 0.73 0.07 -1.24 2.13 0.32 -4.28 120.64 117.81 1sj6 n GLU 49 Ca 0.21 -0.02 -0.22 0.00 0.66 0.00 0.00 57.16 57.80 1sj6 n GLU 49 Cb 0.19 -1.51 -0.15 0.00 0.27 0.00 0.00 31.44 30.24 1sj6 n GLU 49 CO 0.00 0.00 0.00 1.98 -0.41 0.00 0.00 177.13 178.70 1sj6 h MET 50 N 0.00 0.37 -0.29 5.31 4.05 -1.07 -2.83 114.93 120.46 1sj6 h MET 50 Ca -0.51 -0.62 0.08 0.00 -0.28 0.00 0.00 59.70 58.37 1sj6 h MET 50 Cb 2.16 0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 33.18 1sj6 h MET 50 CO 0.03 1.27 0.22 0.00 0.23 0.00 0.00 176.91 178.66 1sj6 h ARG 51 N 0.10 0.00 0.11 0.39 -0.00 -1.72 0.54 114.38 113.79 1sj6 h ARG 51 Ca -0.32 0.00 -0.33 0.00 -0.50 0.00 0.00 59.98 58.83 1sj6 h ARG 51 Cb 2.09 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 32.04 1sj6 h ARG 51 CO 0.17 0.00 -1.74 0.00 0.00 0.00 0.00 179.97 178.40 1sj6 h ALA 52 N 1.83 0.34 -0.03 0.04 0.00 -1.74 -2.07 119.26 117.63 1sj6 h ALA 52 Ca 0.14 -1.29 -0.08 0.00 0.00 0.00 0.00 54.91 53.68 1sj6 h ALA 52 Cb 0.58 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1sj6 h ALA 52 CO -0.00 1.09 -0.38 -0.07 0.00 0.00 0.00 179.25 179.89 1sj6 h LEU 53 N -0.19 0.06 -0.54 0.00 3.38 -1.17 -2.25 115.31 114.60 1sj6 h LEU 53 Ca -0.38 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1sj6 h LEU 53 Cb 1.86 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1sj6 h LEU 53 CO 0.03 0.44 0.00 0.00 0.09 0.00 0.00 178.44 179.00 1sj6 n ALA 54 N -2.47 2.58 -3.73 1.53 0.00 0.18 -4.68 120.51 113.92 1sj6 n ALA 54 Ca -0.02 -0.32 -0.23 0.00 0.00 0.00 0.00 53.44 52.87 1sj6 n ALA 54 Cb 0.42 -1.23 0.03 0.00 0.00 0.00 0.00 19.45 18.68 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 1.00 -0.35 3.15 0.00 0.00 -0.85 -4.96 105.19 103.19 1sj6 n GLY 55 Ca 0.17 0.14 0.05 0.00 0.00 0.00 0.00 46.02 46.39 1sj6 n GLY 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sj6 s ASN 56 N -4.10 -0.00 -0.12 1.61 2.47 -0.78 -5.03 114.94 109.00 1sj6 s ASN 56 Ca 0.17 0.00 0.04 0.00 0.42 0.00 0.00 52.86 53.49 1sj6 s ASN 56 Cb -0.08 1.00 0.27 0.00 -1.45 0.00 0.00 41.25 40.99 1sj6 s ASN 56 CO 0.81 -0.00 1.10 -0.81 -3.72 0.00 0.00 177.10 174.48 1sj6 n PRO 57 N 5.20 2.01 -0.04 0.43 -0.05 -1.22 -3.39 135.00 137.95 1sj6 n PRO 57 Ca -0.09 -1.11 0.00 0.00 -0.05 0.00 0.00 63.50 62.26 1sj6 n PRO 57 Cb 0.55 -1.63 0.00 0.00 -0.05 0.00 0.00 33.50 32.37 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 0.10 0.35 0.00 0.54 4.76 -1.26 -5.07 118.16 117.58 1sj6 n LYS 58 Ca 0.15 -0.68 0.00 0.00 -2.87 0.00 0.00 58.31 54.91 1sj6 n LYS 58 Cb 0.72 -0.57 0.00 0.00 -1.84 0.00 0.00 35.03 33.35 1sj6 n LYS 58 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1sj6 n ALA 59 N -0.07 0.00 -2.12 7.82 0.00 -1.22 -5.09 120.51 119.83 1sj6 n ALA 59 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 1sj6 n ALA 59 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.56 0.16 0.26 0.00 -4.23 -1.26 -5.05 115.64 104.95 1sj6 s THR 60 Ca 0.00 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 1sj6 s THR 60 Cb 0.00 -1.82 0.36 0.00 1.34 0.00 0.00 72.50 72.38 1sj6 s THR 60 CO 0.00 -0.70 1.30 -2.65 -0.54 0.00 0.00 174.62 172.04 1sj6 n PRO 61 N -0.01 -0.07 -2.05 3.99 -0.01 -1.26 -3.96 135.00 131.64 1sj6 n PRO 61 Ca -0.09 1.26 -0.35 0.00 -0.01 0.00 0.00 63.50 64.31 1sj6 n PRO 61 Cb 0.63 -1.98 -0.04 0.00 -0.01 0.00 0.00 33.50 32.10 1sj6 n PRO 61 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 175.50 173.35 1sj6 s PRO 62 N -5.82 2.61 -0.27 0.52 0.02 -1.23 -2.53 135.00 128.29 1sj6 s PRO 62 Ca -0.11 0.30 -0.03 0.00 0.02 0.00 0.00 61.00 61.19 1sj6 s PRO 62 Cb 0.24 -4.61 0.11 0.00 0.02 0.00 0.00 34.50 30.26 1sj6 s PRO 62 CO 0.65 -2.93 0.19 -0.65 -0.33 0.00 0.00 177.00 173.93 1sj6 s GLN 63 N 7.01 0.22 0.24 5.54 -1.52 -1.22 -3.56 119.66 126.38 1sj6 s GLN 63 Ca 0.68 -0.29 -0.30 0.00 -1.95 0.00 0.00 55.36 53.50 1sj6 s GLN 63 Cb -0.11 -1.05 -0.09 0.00 -0.22 0.00 0.00 33.01 31.54 1sj6 s GLN 63 CO 0.14 -0.96 0.94 0.42 -0.25 0.00 0.00 175.29 175.58 1sj6 s ILE 64 N 2.21 4.07 -0.03 1.08 1.01 -0.95 -1.66 121.20 126.94 1sj6 s ILE 64 Ca 0.08 2.08 0.04 0.00 0.00 0.00 0.00 60.65 62.85 1sj6 s ILE 64 Cb -0.15 -4.32 -0.00 0.00 0.01 0.00 0.00 42.46 37.99 1sj6 s ILE 64 CO -0.31 0.49 -0.13 -0.69 0.00 0.00 0.00 174.94 174.30 1sj6 s VAL 65 N -1.14 1.07 -1.12 2.92 1.01 0.11 -2.62 120.40 120.63 1sj6 s VAL 65 Ca 0.41 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.73 1sj6 s VAL 65 Cb -0.26 -0.92 0.20 0.00 0.00 0.00 0.00 36.38 35.41 1sj6 s VAL 65 CO 0.32 0.31 1.25 0.21 0.00 0.00 0.00 175.10 177.20 1sj6 s ASN 66 N -0.03 7.08 0.00 3.32 3.04 -0.54 -0.22 114.94 127.59 1sj6 s ASN 66 Ca -0.00 -3.05 0.00 0.00 0.04 0.00 0.00 52.86 49.85 1sj6 s ASN 66 Cb -0.08 -2.33 0.00 0.00 -1.54 0.00 0.00 41.25 37.30 1sj6 s ASN 66 CO 0.01 -0.63 0.00 0.61 -3.04 0.00 0.00 177.10 174.05 1sj6 n GLY 67 N 3.83 1.36 1.27 1.21 0.00 0.27 -3.04 105.19 110.09 1sj6 n GLY 67 Ca 0.30 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 46.24 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 3.30 -1.05 -4.12 1.61 -0.08 -1.26 -4.90 116.55 110.05 1sj6 n ASP 68 Ca 0.00 -1.99 -0.08 0.00 -1.51 0.00 0.00 54.79 51.21 1sj6 n ASP 68 Cb 0.00 0.36 -0.10 0.00 2.34 0.00 0.00 41.12 43.72 1sj6 n ASP 68 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1sj6 s GLN 69 N 0.02 0.69 -0.74 -0.67 -0.21 -1.17 -5.10 119.66 112.48 1sj6 s GLN 69 Ca 0.02 -1.26 -0.27 0.00 0.02 0.00 0.00 55.36 53.87 1sj6 s GLN 69 Cb 0.08 0.08 0.03 0.00 1.00 0.00 0.00 33.01 34.19 1sj6 s GLN 69 CO -0.02 -0.08 1.29 -0.47 -2.12 0.00 0.00 175.29 173.89 1sj6 s TYR 70 N -3.83 2.27 -0.11 0.91 5.04 -1.26 -1.47 117.35 118.90 1sj6 s TYR 70 Ca 0.09 -0.04 -0.14 0.00 -2.44 0.00 0.00 57.07 54.54 1sj6 s TYR 70 Cb 0.07 -4.62 -0.12 0.00 0.35 0.00 0.00 41.96 37.64 1sj6 s TYR 70 CO -0.08 -2.08 0.39 0.00 -1.34 0.00 0.00 175.55 172.43 1sj6 n GLY 72 N 1.64 -0.85 0.00 0.00 0.00 -1.08 -5.04 105.19 99.86 1sj6 n GLY 72 Ca -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 0.00 -0.01 1.61 8.00 -1.26 -2.24 116.55 122.66 1sj6 n ASP 73 Ca 0.00 -0.40 -0.13 0.00 0.71 0.00 0.00 54.79 54.98 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 0.40 0.04 -0.06 1.24 5.03 -1.95 -2.83 116.97 118.83 1sj6 h TYR 74 Ca 0.00 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.34 1sj6 h TYR 74 Cb 0.00 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 38.22 1sj6 h TYR 74 CO 0.00 0.40 -0.25 1.49 -1.32 0.00 0.00 178.16 178.48 1sj6 h GLU 75 N -0.33 -0.34 0.07 1.82 4.22 -1.97 -0.20 114.58 117.85 1sj6 h GLU 75 Ca 0.00 0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.47 1sj6 h GLU 75 Cb 0.39 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1sj6 h GLU 75 CO 0.00 -0.23 -0.09 -0.07 -2.18 0.00 0.00 179.01 176.44 1sj6 h LEU 76 N -0.35 -0.26 -0.55 1.64 4.07 -1.96 1.04 115.31 118.93 1sj6 h LEU 76 Ca 0.08 0.02 0.10 0.00 0.08 0.00 0.00 57.88 58.16 1sj6 h LEU 76 Cb 0.47 0.09 -0.11 0.00 1.08 0.00 0.00 40.66 42.19 1sj6 h LEU 76 CO -0.26 -0.11 -0.36 0.15 -1.08 0.00 0.00 178.44 176.78 1sj6 h PHE 77 N -0.17 -1.00 -0.44 1.13 3.04 -1.48 0.68 116.94 118.70 1sj6 h PHE 77 Ca -0.01 0.07 -0.05 0.00 3.98 0.00 0.00 57.97 61.96 1sj6 h PHE 77 Cb 0.15 0.52 -0.02 0.00 2.56 0.00 0.00 35.95 39.16 1sj6 h PHE 77 CO -0.17 -0.39 0.06 0.28 -2.02 0.00 0.00 178.31 176.07 1sj6 h VAL 78 N -0.20 1.21 0.00 1.41 2.07 -0.95 -1.68 116.25 118.12 1sj6 h VAL 78 Ca 0.21 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1sj6 h VAL 78 Cb 0.55 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1sj6 h VAL 78 CO -0.65 0.29 0.00 1.21 0.02 0.00 0.00 177.57 178.43 1sj6 n GLU 79 N -4.28 0.25 -0.11 1.57 2.13 0.36 -3.27 120.64 117.29 1sj6 n GLU 79 Ca 0.03 0.10 -0.19 0.00 0.66 0.00 0.00 57.16 57.76 1sj6 n GLU 79 Cb 0.24 -1.50 -0.08 0.00 0.27 0.00 0.00 31.44 30.37 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 -1.32 0.86 -0.11 4.31 0.00 -0.19 -4.31 120.51 119.76 1sj6 n ALA 80 Ca 0.09 -0.71 0.20 0.00 0.00 0.00 0.00 53.44 53.02 1sj6 n ALA 80 Cb 0.17 -0.14 0.62 0.00 0.00 0.00 0.00 19.45 20.10 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 0.71 -0.39 0.00 2.07 -1.56 1.10 116.25 117.18 1sj6 h VAL 81 Ca -0.33 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.17 1sj6 h VAL 81 Cb 1.19 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1sj6 h VAL 81 CO -0.20 0.03 0.16 1.05 0.02 0.00 0.00 177.57 178.63 1sj6 h GLU 82 N 0.17 0.33 -0.66 1.57 4.11 -1.75 -2.36 114.58 115.99 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 1.11 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1sj6 h GLU 82 CO -0.06 0.22 0.00 0.94 0.07 0.00 0.00 179.01 180.18 1sj6 n GLN 83 N -4.98 2.68 -1.17 1.06 7.27 -0.66 -4.91 117.38 116.68 1sj6 n GLN 83 Ca 0.02 -2.60 -0.05 0.00 0.07 0.00 0.00 57.00 54.44 1sj6 n GLN 83 Cb 0.12 -1.56 -0.02 0.00 2.41 0.00 0.00 30.24 31.19 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 1.64 -3.62 0.12 1.69 2.85 -0.16 -4.90 115.26 112.88 1sj6 n ASN 84 Ca 0.24 0.13 0.12 0.00 -0.11 0.00 0.00 54.58 54.96 1sj6 n ASN 84 Cb 0.62 -1.60 0.19 0.00 1.24 0.00 0.00 39.78 40.23 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 -0.71 -0.44 1.35 0.91 -3.37 112.91 110.65 1sj6 h THR 85 Ca -0.11 -0.73 0.28 0.00 -0.55 0.00 0.00 66.41 65.30 1sj6 h THR 85 Cb 0.35 1.50 -0.10 0.00 -1.73 0.00 0.00 68.15 68.17 1sj6 h THR 85 CO 0.16 0.00 0.42 -0.11 -0.25 0.00 0.00 175.52 175.73 1sj6 n LEU 86 N -2.53 0.19 0.09 3.87 7.94 -0.87 0.12 117.00 125.80 1sj6 n LEU 86 Ca 0.03 0.98 -0.12 0.00 -1.11 0.00 0.00 56.01 55.79 1sj6 n LEU 86 Cb 0.48 -0.48 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 1sj6 n LEU 86 CO 0.35 -1.09 0.71 -0.61 -1.11 0.00 0.00 177.39 175.64 1sj6 h GLN 87 N 0.00 -0.38 -0.84 1.96 4.15 -1.90 0.40 115.11 118.50 1sj6 h GLN 87 Ca 0.54 0.03 0.24 0.00 0.77 0.00 0.00 58.65 60.23 1sj6 h GLN 87 Cb 1.54 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 29.29 1sj6 h GLN 87 CO -0.41 -0.26 0.89 0.93 -1.93 0.00 0.00 178.83 178.05 1sj6 h GLU 88 N -0.40 0.00 0.00 1.69 4.39 0.73 1.57 114.58 122.56 1sj6 h GLU 88 Ca 0.04 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.62 1sj6 h GLU 88 Cb 0.45 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1sj6 h GLU 88 CO -0.16 0.00 -2.12 0.34 -1.16 0.00 0.00 179.01 175.90 1sj6 n PHE 89 N -3.53 0.00 0.00 4.33 -0.00 -0.19 -3.83 117.46 114.23 1sj6 n PHE 89 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.63 1sj6 n PHE 89 Cb 1.17 -0.66 0.00 0.00 -0.00 0.00 0.00 39.48 39.98 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 -2.42 0.09 -0.19 -2.13 7.99 0.32 -4.71 117.00 115.95 1sj6 n LEU 90 Ca -0.14 0.06 0.12 0.00 -0.01 0.00 0.00 56.01 56.04 1sj6 n LEU 90 Cb 0.77 -0.40 0.22 0.00 -0.11 0.00 0.00 43.42 43.90 1sj6 n LEU 90 CO 0.44 -0.40 0.46 0.29 -1.51 0.00 0.00 177.39 176.67 1sj6 n LYS 91 N -2.21 0.56 0.00 3.23 5.02 0.12 -4.97 118.16 119.91 1sj6 n LYS 91 Ca 0.00 -0.37 0.00 0.00 -2.02 0.00 0.00 58.31 55.92 1sj6 n LYS 91 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 1sj6 n LYS 91 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1sj6 n LEU 92 N -0.90 0.00 0.00 -0.35 7.99 0.45 -2.33 117.00 121.86 1sj6 n LEU 92 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.09 1sj6 n LEU 92 Cb 0.36 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.67 1sj6 n LEU 92 CO 0.31 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.19 1sj6 n ALA 93 N 0.45 2.54 -1.78 -1.18 0.00 -1.26 -4.01 120.51 115.27 1sj6 n ALA 93 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1sj6 n ALA 93 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1sj6 n ALA 93 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1sj6 s LEU 94 N -4.10 2.62 0.00 0.00 2.34 -0.99 -5.12 118.68 113.44 1sj6 s LEU 94 Ca 0.00 -1.24 0.23 0.00 0.06 0.00 0.00 54.13 53.19 1sj6 s LEU 94 Cb 0.00 -2.59 1.38 0.00 -0.56 0.00 0.00 46.19 44.41 1sj6 s LEU 94 CO 0.00 -4.13 1.75 1.21 -1.06 0.00 0.00 176.35 174.11