#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 3.45 0.02 6.12 0.01 -1.26 -5.17 113.70 116.87 1sj6 s SER 2 Ca 0.00 -1.73 0.02 0.00 1.31 0.00 0.00 55.95 55.55 1sj6 s SER 2 Cb 0.00 0.66 -0.01 0.00 0.21 0.00 0.00 66.02 66.88 1sj6 s SER 2 CO 0.00 -0.98 -0.08 -0.83 0.41 0.00 0.00 173.24 171.77 1sj6 s GLY 3 N -3.75 0.43 -0.28 3.44 0.00 -1.26 -4.91 107.32 100.99 1sj6 s GLY 3 Ca 0.13 -0.50 -0.15 0.00 0.00 0.00 0.00 44.72 44.20 1sj6 s GLY 3 CO 0.09 -0.48 0.69 1.08 0.00 0.00 0.00 173.10 174.47 1sj6 s LEU 4 N -0.71 -0.97 -0.75 0.66 1.02 -1.26 -4.63 118.68 112.05 1sj6 s LEU 4 Ca -0.01 1.52 -0.02 0.00 0.02 0.00 0.00 54.13 55.64 1sj6 s LEU 4 Cb -0.05 2.38 0.19 0.00 0.02 0.00 0.00 46.19 48.72 1sj6 s LEU 4 CO 0.00 -0.24 0.59 -0.13 0.02 0.00 0.00 176.35 176.59 1sj6 s ARG 5 N 1.75 2.87 -0.17 1.70 0.52 -0.39 0.11 118.95 125.34 1sj6 s ARG 5 Ca -0.10 -2.90 -0.25 0.00 -0.52 0.00 0.00 55.73 51.96 1sj6 s ARG 5 Cb -0.06 -3.81 -0.02 0.00 0.52 0.00 0.00 34.95 31.58 1sj6 s ARG 5 CO -0.20 -1.22 0.82 0.08 0.02 0.00 0.00 175.30 174.80 1sj6 s VAL 6 N -0.70 4.89 0.41 3.52 1.01 -1.00 -2.10 120.40 126.43 1sj6 s VAL 6 Ca 0.22 1.61 -0.22 0.00 0.00 0.00 0.00 61.98 63.59 1sj6 s VAL 6 Cb -0.14 -4.13 -0.11 0.00 0.00 0.00 0.00 36.38 32.01 1sj6 s VAL 6 CO -0.08 0.03 0.95 -0.31 0.00 0.00 0.00 175.10 175.69 1sj6 s TYR 7 N 2.14 3.39 0.38 5.22 2.02 0.90 0.23 117.35 131.62 1sj6 s TYR 7 Ca 0.38 1.65 -0.08 0.00 -0.37 0.00 0.00 57.07 58.65 1sj6 s TYR 7 Cb -0.16 -2.87 0.03 0.00 -0.40 0.00 0.00 41.96 38.56 1sj6 s TYR 7 CO 0.12 -0.06 0.63 -1.13 -1.57 0.00 0.00 175.55 173.55 1sj6 n SER 8 N -0.39 -1.80 -3.68 2.29 3.41 -1.02 -2.99 113.62 109.45 1sj6 n SER 8 Ca 0.06 -2.81 -0.30 0.00 -0.26 0.00 0.00 58.87 55.57 1sj6 n SER 8 Cb 0.53 3.16 -0.15 0.00 -0.26 0.00 0.00 64.21 67.50 1sj6 n SER 8 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1sj6 s THR 9 N -2.51 0.68 0.50 6.66 -1.32 -1.26 -2.54 115.64 115.84 1sj6 s THR 9 Ca 0.24 -1.37 0.17 0.00 -1.21 0.00 0.00 61.69 59.52 1sj6 s THR 9 Cb -0.03 -1.52 0.30 0.00 -1.51 0.00 0.00 72.50 69.75 1sj6 s THR 9 CO 0.17 -0.72 2.09 -1.28 -2.21 0.00 0.00 174.62 172.67 1sj6 h SER 10 N 8.00 0.09 -2.88 8.08 0.87 -1.93 -3.23 113.55 122.54 1sj6 h SER 10 Ca -0.13 -0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 59.81 1sj6 h SER 10 Cb 1.00 -0.02 -0.42 0.00 -0.44 0.00 0.00 62.40 62.53 1sj6 h SER 10 CO 0.45 0.06 -0.59 0.52 -0.53 0.00 0.00 176.83 176.75 1sj6 n VAL 11 N -4.49 1.71 -1.61 2.23 0.31 -1.26 -5.09 118.33 110.12 1sj6 n VAL 11 Ca 0.02 -4.91 -0.29 0.00 -0.01 0.00 0.00 64.34 59.15 1sj6 n VAL 11 Cb 0.22 -2.16 0.15 0.00 -0.91 0.00 0.00 33.84 31.14 1sj6 n VAL 11 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1sj6 s THR 12 N -1.64 1.95 0.00 2.52 2.01 -1.22 -5.02 115.64 114.23 1sj6 s THR 12 Ca 0.28 0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.38 1sj6 s THR 12 Cb -0.00 -2.81 0.17 0.00 0.01 0.00 0.00 72.50 69.87 1sj6 s THR 12 CO -0.14 0.00 1.00 0.61 -0.69 0.00 0.00 174.62 175.40 1sj6 n GLY 13 N -2.53 0.76 0.74 4.40 0.00 -1.26 -5.12 105.19 102.18 1sj6 n GLY 13 Ca 0.09 -0.33 -0.05 0.00 0.00 0.00 0.00 46.02 45.73 1sj6 n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sj6 n SER 14 N 0.19 0.26 -0.00 1.61 3.41 -1.26 -5.07 113.62 112.77 1sj6 n SER 14 Ca -0.06 -1.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 1sj6 n SER 14 Cb 0.85 0.33 -0.00 0.00 -0.26 0.00 0.00 64.21 65.12 1sj6 n SER 14 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1sj6 n ARG 15 N -0.17 4.89 -0.06 4.33 1.74 -1.26 -4.42 116.66 121.71 1sj6 n ARG 15 Ca 0.01 -0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.03 1sj6 n ARG 15 Cb 0.14 -0.65 -0.15 0.00 -1.02 0.00 0.00 32.46 30.77 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 -1.15 0.67 0.09 5.56 1.02 -1.26 -4.26 120.64 121.32 1sj6 n GLU 16 Ca 0.00 0.01 -0.15 0.00 -0.02 0.00 0.00 57.16 57.01 1sj6 n GLU 16 Cb 0.00 -1.58 -0.14 0.00 -0.02 0.00 0.00 31.44 29.71 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 1.48 -0.09 -3.67 2.04 -1.98 -2.18 117.51 113.10 1sj6 h ILE 17 Ca -0.40 -3.07 -0.01 0.00 1.00 0.00 0.00 64.86 62.38 1sj6 h ILE 17 Cb 1.96 2.91 -0.01 0.00 -0.74 0.00 0.00 36.82 40.94 1sj6 h ILE 17 CO 0.03 0.89 -0.00 0.11 0.00 0.00 0.00 178.15 179.18 1sj6 h LYS 18 N 0.06 0.12 0.00 2.37 1.57 -1.77 -0.86 116.57 118.06 1sj6 h LYS 18 Ca -0.13 -0.01 -0.31 0.00 -1.87 0.00 0.00 60.65 58.33 1sj6 h LYS 18 Cb 1.95 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 34.19 1sj6 h LYS 18 CO 0.19 0.14 -1.85 0.45 -0.57 0.00 0.00 179.45 177.80 1sj6 n SER 19 N -4.46 0.71 0.16 0.86 2.88 -1.23 -2.69 113.62 109.84 1sj6 n SER 19 Ca -0.02 0.33 0.01 0.00 -1.33 0.00 0.00 58.87 57.86 1sj6 n SER 19 Cb 0.13 0.15 0.29 0.00 -0.75 0.00 0.00 64.21 64.03 1sj6 n SER 19 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1sj6 h GLN 20 N 0.00 0.04 0.03 -1.46 7.50 -0.93 -2.38 115.11 117.91 1sj6 h GLN 20 Ca -0.34 -0.02 -0.33 0.00 0.50 0.00 0.00 58.65 58.46 1sj6 h GLN 20 Cb 2.06 -0.00 -0.05 0.00 0.05 0.00 0.00 27.48 29.55 1sj6 h GLN 20 CO 0.07 0.47 -1.91 0.00 -1.50 0.00 0.00 178.83 175.96 1sj6 n GLN 21 N -4.02 0.67 0.13 1.46 -0.00 -0.37 -3.93 117.38 111.32 1sj6 n GLN 21 Ca -0.02 0.24 0.02 0.00 -0.00 0.00 0.00 57.00 57.25 1sj6 n GLN 21 Cb 0.47 -1.72 0.37 0.00 -0.00 0.00 0.00 30.24 29.36 1sj6 n GLN 21 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1sj6 h SER 22 N 0.02 0.19 -0.27 2.61 4.64 -1.47 -2.78 113.55 116.49 1sj6 h SER 22 Ca -0.37 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 60.81 1sj6 h SER 22 Cb 2.04 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 64.08 1sj6 h SER 22 CO 0.07 0.40 -0.20 -0.08 -0.87 0.00 0.00 176.83 176.15 1sj6 h GLU 23 N 0.18 0.62 0.14 4.77 4.57 -1.58 -1.94 114.58 121.34 1sj6 h GLU 23 Ca 0.03 -0.30 0.01 0.00 -1.18 0.00 0.00 59.36 57.92 1sj6 h GLU 23 Cb 0.45 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 1sj6 h GLU 23 CO 0.03 0.89 -0.15 0.28 -1.18 0.00 0.00 179.01 178.87 1sj6 h VAL 24 N 0.35 0.65 -0.02 0.32 2.07 -1.62 -2.00 116.25 115.99 1sj6 h VAL 24 Ca 0.05 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 1sj6 h VAL 24 Cb 0.74 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1sj6 h VAL 24 CO 0.05 0.00 -0.12 0.71 0.02 0.00 0.00 177.57 178.23 1sj6 h THR 25 N -0.33 1.10 -0.21 2.57 1.35 -1.54 -2.01 112.91 113.84 1sj6 h THR 25 Ca 0.01 -0.48 -0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1sj6 h THR 25 Cb 0.32 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 67.95 1sj6 h THR 25 CO -0.05 0.14 0.13 -0.09 -0.25 0.00 0.00 175.52 175.40 1sj6 h ARG 26 N 0.03 0.29 -0.15 4.72 2.43 -0.63 0.27 114.38 121.34 1sj6 h ARG 26 Ca 0.01 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 1sj6 h ARG 26 Cb 0.24 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1sj6 h ARG 26 CO 0.02 0.23 -0.13 0.82 -1.51 0.00 0.00 179.97 179.40 1sj6 h ILE 27 N 0.26 1.34 -0.56 1.20 2.04 -1.10 -0.39 117.51 120.31 1sj6 h ILE 27 Ca 0.08 -1.26 0.01 0.00 1.00 0.00 0.00 64.86 64.68 1sj6 h ILE 27 Cb 0.01 1.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1sj6 h ILE 27 CO -0.01 0.37 0.37 -0.07 0.00 0.00 0.00 178.15 178.80 1sj6 h LEU 28 N -0.01 0.63 -0.17 1.44 3.38 -1.29 -0.45 115.31 118.84 1sj6 h LEU 28 Ca 0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1sj6 h LEU 28 Cb 0.65 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1sj6 h LEU 28 CO 0.03 0.46 -0.02 -0.78 0.09 0.00 0.00 178.44 178.22 1sj6 h ASP 29 N 0.75 0.31 -0.54 -0.43 1.82 -0.47 -2.81 116.42 115.05 1sj6 h ASP 29 Ca 0.20 -0.34 0.04 0.00 -0.39 0.00 0.00 57.03 56.54 1sj6 h ASP 29 Cb -0.08 -0.09 -0.03 0.00 0.68 0.00 0.00 39.33 39.81 1sj6 h ASP 29 CO -0.05 0.58 0.36 1.23 -1.61 0.00 0.00 179.24 179.76 1sj6 h GLY 30 N 0.04 0.69 2.00 -0.78 0.00 -0.84 0.89 103.07 105.06 1sj6 h GLY 30 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1sj6 h GLY 30 CO 0.01 0.20 0.00 0.28 0.00 0.00 0.00 176.54 177.04 1sj6 n LYS 31 N -4.47 0.00 -3.18 4.80 5.02 -0.20 -4.89 118.16 115.24 1sj6 n LYS 31 Ca 0.06 0.18 -0.15 0.00 -2.02 0.00 0.00 58.31 56.38 1sj6 n LYS 31 Cb 0.16 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.73 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 -1.50 -5.34 -3.12 1.97 3.00 0.31 -5.02 116.66 106.96 1sj6 n ARG 32 Ca 0.05 0.60 -0.26 0.00 -0.01 0.00 0.00 57.85 58.23 1sj6 n ARG 32 Cb 0.22 -4.92 -0.01 0.00 0.00 0.00 0.00 32.46 27.75 1sj6 n ARG 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1sj6 s ILE 33 N -3.24 5.02 -0.45 0.55 1.01 -1.07 -5.01 121.20 118.01 1sj6 s ILE 33 Ca 0.26 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.78 1sj6 s ILE 33 Cb -0.11 -3.85 0.46 0.00 0.01 0.00 0.00 42.46 38.98 1sj6 s ILE 33 CO 0.52 -0.63 1.58 0.00 0.00 0.00 0.00 174.94 176.41 1sj6 n GLN 34 N -1.83 3.04 -1.12 2.79 6.02 -1.26 -4.88 117.38 120.14 1sj6 n GLN 34 Ca -0.02 -3.69 -0.29 0.00 -0.01 0.00 0.00 57.00 52.98 1sj6 n GLN 34 Cb 0.55 -2.24 0.18 0.00 1.02 0.00 0.00 30.24 29.75 1sj6 n GLN 34 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 1sj6 s TYR 35 N -3.65 2.07 0.44 1.08 1.13 -1.26 -4.86 117.35 112.30 1sj6 s TYR 35 Ca 0.56 1.06 0.07 0.00 -1.41 0.00 0.00 57.07 57.35 1sj6 s TYR 35 Cb 0.45 -3.23 0.02 0.00 -1.10 0.00 0.00 41.96 38.10 1sj6 s TYR 35 CO 0.02 -2.89 0.60 -1.14 -2.51 0.00 0.00 175.55 169.63 1sj6 s GLN 36 N -4.92 2.77 -0.36 -3.49 2.00 0.29 -4.94 119.66 111.02 1sj6 s GLN 36 Ca 0.65 -1.19 -0.00 0.00 -2.00 0.00 0.00 55.36 52.82 1sj6 s GLN 36 Cb -0.19 -2.72 0.13 0.00 0.80 0.00 0.00 33.01 31.03 1sj6 s GLN 36 CO 0.58 -0.35 0.19 -1.17 -0.50 0.00 0.00 175.29 174.05 1sj6 s LEU 37 N -4.41 1.43 -1.30 3.68 0.20 -1.26 -2.36 118.68 114.65 1sj6 s LEU 37 Ca 0.56 -2.11 -0.18 0.00 0.69 0.00 0.00 54.13 53.08 1sj6 s LEU 37 Cb -0.10 -0.58 0.06 0.00 -0.43 0.00 0.00 46.19 45.14 1sj6 s LEU 37 CO 0.34 -0.33 1.77 1.33 -0.29 0.00 0.00 176.35 179.17 1sj6 n VAL 38 N 4.17 3.81 -2.58 1.68 0.24 0.14 -4.90 118.33 120.89 1sj6 n VAL 38 Ca 0.07 -3.94 -0.43 0.00 -2.04 0.00 0.00 64.34 58.01 1sj6 n VAL 38 Cb 0.38 -2.35 -0.02 0.00 -1.47 0.00 0.00 33.84 30.37 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 4.31 6.87 0.31 -1.34 -1.08 -1.26 -3.23 116.67 121.25 1sj6 s ASP 39 Ca 0.55 1.09 0.26 0.00 -0.52 0.00 0.00 52.55 53.93 1sj6 s ASP 39 Cb 0.04 -2.54 0.83 0.00 -1.46 0.00 0.00 42.92 39.79 1sj6 s ASP 39 CO 0.08 -0.93 1.75 0.16 0.52 0.00 0.00 175.17 176.75 1sj6 h ILE 40 N 5.78 0.00 -0.03 4.11 3.07 -1.81 -3.17 117.51 125.47 1sj6 h ILE 40 Ca -0.22 -0.53 0.01 0.00 1.55 0.00 0.00 64.86 65.67 1sj6 h ILE 40 Cb 1.07 1.46 -0.00 0.00 -0.27 0.00 0.00 36.82 39.08 1sj6 h ILE 40 CO 1.03 0.00 0.03 0.77 -1.05 0.00 0.00 178.15 178.93 1sj6 h SER 41 N 0.00 0.00 0.24 2.16 4.64 -1.91 -3.05 113.55 115.63 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 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1sj6 h SER 41 CO 0.00 0.00 -0.14 -0.61 -0.87 0.00 0.00 176.83 175.21 1sj6 h GLN 42 N 0.00 -0.34 -6.65 4.77 4.15 -1.92 -3.45 115.11 111.67 1sj6 h GLN 42 Ca 0.01 0.02 -0.68 0.00 0.77 0.00 0.00 58.65 58.77 1sj6 h GLN 42 Cb 0.07 0.08 -0.21 0.00 0.21 0.00 0.00 27.48 27.62 1sj6 h GLN 42 CO -0.00 -0.23 -0.81 -0.51 -1.93 0.00 0.00 178.83 175.35 1sj6 s ASP 43 N -2.63 3.78 0.50 -0.69 1.11 -1.15 -5.02 116.67 112.58 1sj6 s ASP 43 Ca -0.05 -0.50 0.28 0.00 0.18 0.00 0.00 52.55 52.45 1sj6 s ASP 43 Cb 0.01 -0.55 1.30 0.00 1.07 0.00 0.00 42.92 44.74 1sj6 s ASP 43 CO 0.17 0.22 1.99 0.78 1.18 0.00 0.00 175.17 179.51 1sj6 h ASN 44 N 4.21 0.00 -0.57 0.27 2.35 -1.87 -2.78 115.58 117.20 1sj6 h ASN 44 Ca -0.49 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.22 1sj6 h ASN 44 Cb 1.16 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.50 1sj6 h ASN 44 CO 0.46 0.14 0.20 0.00 -1.65 0.00 0.00 177.43 176.59 1sj6 h ALA 45 N 1.86 1.20 -0.26 -0.83 0.00 -1.95 -2.17 119.26 117.11 1sj6 h ALA 45 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1sj6 h ALA 45 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1sj6 h ALA 45 CO 0.02 0.56 -0.03 -0.07 0.00 0.00 0.00 179.25 179.73 1sj6 h LEU 46 N 0.89 0.37 -0.06 0.00 3.38 -1.75 0.11 115.31 118.25 1sj6 h LEU 46 Ca 0.20 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1sj6 h LEU 46 Cb 0.24 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1sj6 h LEU 46 CO -0.01 0.46 0.01 0.03 0.09 0.00 0.00 178.44 179.02 1sj6 h ARG 47 N 0.39 0.10 -0.01 1.13 3.08 -1.48 0.84 114.38 118.43 1sj6 h ARG 47 Ca 0.08 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1sj6 h ARG 47 Cb 0.31 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1sj6 h ARG 47 CO 0.01 0.33 0.00 -0.25 -1.07 0.00 0.00 179.97 178.99 1sj6 n ASP 48 N -4.90 0.53 -0.10 7.04 8.00 -1.07 -2.62 116.55 123.44 1sj6 n ASP 48 Ca -0.07 -1.21 -0.10 0.00 0.71 0.00 0.00 54.79 54.12 1sj6 n ASP 48 Cb 0.16 -0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.10 1sj6 n ASP 48 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1sj6 n GLU 49 N -0.57 0.71 0.00 -1.24 0.00 0.36 -4.08 120.64 115.83 1sj6 n GLU 49 Ca 0.21 -0.00 -0.20 0.00 0.00 0.00 0.00 57.16 57.18 1sj6 n GLU 49 Cb 0.19 -1.52 -0.14 0.00 0.00 0.00 0.00 31.44 29.98 1sj6 n GLU 49 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.13 179.11 1sj6 h MET 50 N 0.00 0.21 -0.14 5.31 4.05 -0.83 -2.84 114.93 120.68 1sj6 h MET 50 Ca -0.55 -0.35 0.04 0.00 -0.28 0.00 0.00 59.70 58.56 1sj6 h MET 50 Cb 2.22 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 33.15 1sj6 h MET 50 CO 0.02 1.17 0.11 0.00 0.23 0.00 0.00 176.91 178.44 1sj6 h ARG 51 N -0.50 0.00 0.02 0.39 -0.00 -1.73 0.44 114.38 113.00 1sj6 h ARG 51 Ca -0.20 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.28 1sj6 h ARG 51 Cb 1.56 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.53 1sj6 h ARG 51 CO 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 179.97 180.02 1sj6 h ALA 52 N 1.92 -0.03 -0.06 0.04 0.00 -1.71 -2.02 119.26 117.41 1sj6 h ALA 52 Ca 0.07 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1sj6 h ALA 52 Cb 0.28 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1sj6 h ALA 52 CO -0.00 -0.03 0.04 1.37 0.00 0.00 0.00 179.25 180.63 1sj6 h LEU 53 N -0.95 0.00 0.00 0.00 8.10 -1.39 0.64 115.31 121.70 1sj6 h LEU 53 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1sj6 h LEU 53 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.24 1sj6 h LEU 53 CO 0.00 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.33 1sj6 n ALA 54 N -2.55 2.11 -3.47 0.17 0.00 0.15 -4.74 120.51 112.19 1sj6 n ALA 54 Ca -0.02 -0.09 -0.20 0.00 0.00 0.00 0.00 53.44 53.13 1sj6 n ALA 54 Cb 0.14 -1.38 0.08 0.00 0.00 0.00 0.00 19.45 18.30 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 0.81 -0.41 0.00 0.00 0.00 0.22 -4.98 105.19 100.82 1sj6 n GLY 55 Ca 0.08 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.98 0.00 -1.23 1.61 6.94 -0.76 -5.03 115.26 113.81 1sj6 n ASN 56 Ca -0.15 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.38 1sj6 n ASN 56 Cb 0.61 0.00 0.10 0.00 -2.36 0.00 0.00 39.78 38.14 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 1.90 0.00 -0.53 -0.05 -1.24 -3.42 135.00 131.66 1sj6 n PRO 57 Ca 0.00 -1.10 0.00 0.00 -0.05 0.00 0.00 63.50 62.35 1sj6 n PRO 57 Cb 0.00 -1.59 0.00 0.00 -0.05 0.00 0.00 33.50 31.86 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 0.06 0.68 0.00 0.54 5.02 -1.26 -5.08 118.16 118.13 1sj6 n LYS 58 Ca 0.16 -0.69 0.00 0.00 -2.02 0.00 0.00 58.31 55.76 1sj6 n LYS 58 Cb 0.76 -0.64 0.00 0.00 -0.02 0.00 0.00 35.03 35.13 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 -0.12 0.00 -2.10 7.82 0.00 -1.22 -5.07 120.51 119.81 1sj6 n ALA 59 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1sj6 n ALA 59 Cb 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.34 0.21 0.18 0.00 -4.23 -1.26 -5.07 115.64 105.13 1sj6 s THR 60 Ca 0.00 -1.81 -0.26 0.00 -1.18 0.00 0.00 61.69 58.45 1sj6 s THR 60 Cb 0.00 -1.56 0.05 0.00 1.34 0.00 0.00 72.50 72.33 1sj6 s THR 60 CO 0.00 -0.95 1.55 1.55 -0.54 0.00 0.00 174.62 176.23 1sj6 h PRO 61 N 3.12 -0.09 -5.86 3.99 0.13 -1.89 -3.35 132.00 128.05 1sj6 h PRO 61 Ca -0.34 0.01 -0.47 0.00 -0.87 0.00 0.00 66.00 64.32 1sj6 h PRO 61 Cb 1.15 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1sj6 h PRO 61 CO 0.65 -0.06 1.40 -1.25 -0.23 0.00 0.00 178.00 178.51 1sj6 s PRO 62 N -5.74 2.45 -0.16 1.56 0.04 -1.19 -2.42 135.00 129.54 1sj6 s PRO 62 Ca -0.13 0.81 -0.04 0.00 0.04 0.00 0.00 61.00 61.67 1sj6 s PRO 62 Cb 0.14 -4.47 0.08 0.00 0.04 0.00 0.00 34.50 30.28 1sj6 s PRO 62 CO 0.66 -2.94 0.20 -0.65 0.04 0.00 0.00 177.00 174.31 1sj6 s GLN 63 N 7.43 0.14 0.19 4.56 -1.52 -1.16 -3.55 119.66 125.75 1sj6 s GLN 63 Ca 0.76 0.35 -0.28 0.00 -1.95 0.00 0.00 55.36 54.24 1sj6 s GLN 63 Cb -0.14 -0.86 -0.08 0.00 -0.22 0.00 0.00 33.01 31.71 1sj6 s GLN 63 CO 0.21 -0.52 0.88 0.42 -0.25 0.00 0.00 175.29 176.03 1sj6 s ILE 64 N 2.32 4.24 -0.00 1.08 1.09 -1.04 -0.07 121.20 128.82 1sj6 s ILE 64 Ca 0.05 1.94 0.02 0.00 -1.10 0.00 0.00 60.65 61.56 1sj6 s ILE 64 Cb -0.14 -4.25 -0.01 0.00 -1.06 0.00 0.00 42.46 37.00 1sj6 s ILE 64 CO -0.10 0.49 -0.07 -0.69 -0.10 0.00 0.00 174.94 174.46 1sj6 s VAL 65 N -1.01 0.58 -0.91 2.92 1.01 -0.89 -1.80 120.40 120.30 1sj6 s VAL 65 Ca 0.40 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.94 1sj6 s VAL 65 Cb -0.25 -0.50 0.23 0.00 0.00 0.00 0.00 36.38 35.87 1sj6 s VAL 65 CO 0.29 0.13 0.84 0.21 0.00 0.00 0.00 175.10 176.57 1sj6 s ASN 66 N -0.26 6.52 0.00 3.32 3.04 -1.18 -1.27 114.94 125.11 1sj6 s ASN 66 Ca 0.02 -3.29 0.00 0.00 0.04 0.00 0.00 52.86 49.63 1sj6 s ASN 66 Cb -0.03 -2.08 0.00 0.00 -1.54 0.00 0.00 41.25 37.60 1sj6 s ASN 66 CO -0.00 -0.34 0.00 0.61 -3.04 0.00 0.00 177.10 174.32 1sj6 n GLY 67 N 3.04 2.06 2.78 1.21 0.00 -1.26 -3.66 105.19 109.36 1sj6 n GLY 67 Ca 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 5.07 0.71 -4.07 1.61 2.03 -1.26 -4.93 116.55 115.70 1sj6 n ASP 68 Ca 0.00 -2.08 -0.08 0.00 0.52 0.00 0.00 54.79 53.15 1sj6 n ASP 68 Cb 0.00 -0.15 -0.09 0.00 -0.72 0.00 0.00 41.12 40.16 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 -2.66 0.75 -0.70 -0.67 -0.21 -1.24 -5.10 119.66 109.82 1sj6 s GLN 69 Ca 0.22 -1.24 -0.27 0.00 0.02 0.00 0.00 55.36 54.09 1sj6 s GLN 69 Cb 0.36 0.24 0.03 0.00 1.00 0.00 0.00 33.01 34.64 1sj6 s GLN 69 CO -0.07 -0.18 1.28 -0.47 -2.12 0.00 0.00 175.29 173.73 1sj6 s TYR 70 N -3.95 2.33 -0.12 0.91 5.04 -1.26 -3.13 117.35 117.17 1sj6 s TYR 70 Ca 0.12 0.07 -0.22 0.00 -2.44 0.00 0.00 57.07 54.60 1sj6 s TYR 70 Cb 0.07 -4.59 -0.19 0.00 0.35 0.00 0.00 41.96 37.60 1sj6 s TYR 70 CO -0.07 -1.98 0.60 0.00 -1.34 0.00 0.00 175.55 172.77 1sj6 n GLY 72 N 1.58 -0.68 0.00 0.00 0.00 -0.75 -5.01 105.19 100.33 1sj6 n GLY 72 Ca -0.08 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.04 1.61 5.68 -1.26 -2.50 116.55 120.12 1sj6 n ASP 73 Ca 0.00 -0.48 -0.11 0.00 -0.50 0.00 0.00 54.79 53.70 1sj6 n ASP 73 Cb 0.00 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 39.94 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 0.48 -0.72 0.06 2.11 5.03 -1.93 -0.15 116.97 121.87 1sj6 h TYR 74 Ca 0.00 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.36 1sj6 h TYR 74 Cb 0.00 0.32 -0.05 0.00 1.55 0.00 0.00 36.73 38.55 1sj6 h TYR 74 CO 0.00 -0.35 -0.50 1.49 -1.32 0.00 0.00 178.16 177.47 1sj6 h GLU 75 N -0.38 -0.67 0.38 1.82 4.22 -1.97 0.38 114.58 118.36 1sj6 h GLU 75 Ca 0.07 0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.55 1sj6 h GLU 75 Cb 0.49 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1sj6 h GLU 75 CO -0.26 -0.44 -0.38 -0.07 -2.18 0.00 0.00 179.01 175.68 1sj6 h LEU 76 N -0.69 -1.03 -0.46 1.64 4.07 -1.92 1.06 115.31 117.99 1sj6 h LEU 76 Ca 0.01 0.08 0.08 0.00 0.08 0.00 0.00 57.88 58.14 1sj6 h LEU 76 Cb 0.73 0.34 -0.10 0.00 1.08 0.00 0.00 40.66 42.71 1sj6 h LEU 76 CO -0.31 -0.50 -0.35 0.15 -1.08 0.00 0.00 178.44 176.35 1sj6 h PHE 77 N -0.75 -0.98 -0.05 1.13 3.04 -0.93 0.29 116.94 118.68 1sj6 h PHE 77 Ca -0.05 0.06 -0.04 0.00 3.98 0.00 0.00 57.97 61.92 1sj6 h PHE 77 Cb 0.65 0.50 -0.01 0.00 2.56 0.00 0.00 35.95 39.65 1sj6 h PHE 77 CO -0.20 -0.39 -0.17 0.28 -2.02 0.00 0.00 178.31 175.80 1sj6 h VAL 78 N -0.24 1.16 0.00 1.41 2.07 -0.11 -0.99 116.25 119.55 1sj6 h VAL 78 Ca 0.18 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1sj6 h VAL 78 Cb 0.55 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1sj6 h VAL 78 CO -0.59 0.21 0.00 1.21 0.02 0.00 0.00 177.57 178.42 1sj6 n GLU 79 N -4.29 0.58 -0.12 1.57 2.13 0.37 -3.41 120.64 117.46 1sj6 n GLU 79 Ca -0.02 0.02 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 1sj6 n GLU 79 Cb 0.26 -1.50 -0.08 0.00 0.27 0.00 0.00 31.44 30.39 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 -1.18 0.98 -0.10 4.31 0.00 0.13 -4.37 120.51 120.28 1sj6 n ALA 80 Ca 0.16 -0.85 0.21 0.00 0.00 0.00 0.00 53.44 52.96 1sj6 n ALA 80 Cb 0.17 -0.04 0.64 0.00 0.00 0.00 0.00 19.45 20.22 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 0.70 -0.37 0.00 2.07 -1.59 1.06 116.25 117.11 1sj6 h VAL 81 Ca -0.42 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.12 1sj6 h VAL 81 Cb 1.32 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 1sj6 h VAL 81 CO -0.26 0.02 0.05 1.05 0.02 0.00 0.00 177.57 178.46 1sj6 h GLU 82 N 0.12 0.17 -0.57 1.57 -0.00 -1.75 -2.05 114.58 112.06 1sj6 h GLU 82 Ca 0.34 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.69 1sj6 h GLU 82 Cb 1.17 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 29.88 1sj6 h GLU 82 CO -0.04 0.11 0.00 0.94 -0.00 0.00 0.00 179.01 180.02 1sj6 n GLN 83 N -5.12 2.63 -1.25 1.06 7.27 -0.55 -4.91 117.38 116.50 1sj6 n GLN 83 Ca 0.02 -2.50 -0.05 0.00 0.07 0.00 0.00 57.00 54.54 1sj6 n GLN 83 Cb 0.17 -1.55 -0.02 0.00 2.41 0.00 0.00 30.24 31.26 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 -3.36 0.13 1.69 2.85 0.05 -4.91 115.26 113.31 1sj6 n ASN 84 Ca 0.22 0.10 0.12 0.00 -0.11 0.00 0.00 54.58 54.91 1sj6 n ASN 84 Cb 0.62 -1.45 0.16 0.00 1.24 0.00 0.00 39.78 40.35 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 -0.55 -0.44 1.35 0.81 -3.38 112.91 110.70 1sj6 h THR 85 Ca -0.10 -0.80 0.14 0.00 -0.55 0.00 0.00 66.41 65.11 1sj6 h THR 85 Cb 0.40 1.56 -0.10 0.00 -1.73 0.00 0.00 68.15 68.27 1sj6 h THR 85 CO 0.14 0.00 -0.01 -0.11 -0.25 0.00 0.00 175.52 175.29 1sj6 n LEU 86 N -2.61 -0.08 0.23 3.87 -0.00 -1.00 0.12 117.00 117.53 1sj6 n LEU 86 Ca 0.03 0.93 -0.15 0.00 -0.00 0.00 0.00 56.01 56.82 1sj6 n LEU 86 Cb 0.50 -0.33 -0.07 0.00 -0.00 0.00 0.00 43.42 43.51 1sj6 n LEU 86 CO 0.36 -0.94 0.69 -0.61 -0.00 0.00 0.00 177.39 176.89 1sj6 h GLN 87 N 0.00 -0.61 -0.41 1.96 4.15 -1.91 0.20 115.11 118.49 1sj6 h GLN 87 Ca 0.32 0.04 0.12 0.00 0.77 0.00 0.00 58.65 59.90 1sj6 h GLN 87 Cb 0.65 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.46 1sj6 h GLN 87 CO -0.52 -0.41 0.78 0.93 -1.93 0.00 0.00 178.83 177.68 1sj6 h GLU 88 N -0.63 0.00 0.00 1.69 4.39 0.80 1.40 114.58 122.23 1sj6 h GLU 88 Ca -0.03 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.44 1sj6 h GLU 88 Cb 0.54 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 1sj6 h GLU 88 CO 0.00 0.00 -2.23 0.34 -1.16 0.00 0.00 179.01 175.96 1sj6 n PHE 89 N -3.11 0.00 -0.06 4.33 -0.00 -0.53 -3.81 117.46 114.28 1sj6 n PHE 89 Ca 0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.47 1sj6 n PHE 89 Cb 0.92 -0.80 -0.02 0.00 -0.00 0.00 0.00 39.48 39.58 1sj6 n PHE 89 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 1sj6 n LEU 90 N -2.56 1.31 0.02 -2.13 0.00 0.30 -4.71 117.00 109.23 1sj6 n LEU 90 Ca -0.22 0.22 0.11 0.00 0.00 0.00 0.00 56.01 56.13 1sj6 n LEU 90 Cb 0.93 -0.66 0.06 0.00 0.00 0.00 0.00 43.42 43.75 1sj6 n LEU 90 CO 0.44 -0.35 0.12 0.29 0.00 0.00 0.00 177.39 177.89 1sj6 n LYS 91 N -3.82 0.17 0.00 1.96 5.02 0.27 -4.97 118.16 116.79 1sj6 n LYS 91 Ca -0.09 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1sj6 n LYS 91 Cb 0.35 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.77 0.00 -1.30 -0.35 7.99 0.40 -1.27 117.00 120.70 1sj6 n LEU 92 Ca 0.03 0.00 -0.05 0.00 -0.01 0.00 0.00 56.01 55.98 1sj6 n LEU 92 Cb 0.39 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.68 1sj6 n LEU 92 CO 0.39 0.00 0.38 0.00 -1.51 0.00 0.00 177.39 176.65 1sj6 n ALA 93 N 0.31 3.09 0.11 -1.18 0.00 -1.26 -4.13 120.51 117.44 1sj6 n ALA 93 Ca 0.00 -0.68 0.05 0.00 0.00 0.00 0.00 53.44 52.81 1sj6 n ALA 93 Cb 0.00 -0.42 0.50 0.00 0.00 0.00 0.00 19.45 19.53 1sj6 n ALA 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1sj6 h LEU 94 N 0.19 0.27 -0.18 0.00 5.85 -1.58 -3.54 115.31 116.33 1sj6 h LEU 94 Ca -0.49 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1sj6 h LEU 94 Cb 1.31 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1sj6 h LEU 94 CO -0.24 0.21 0.00 -0.62 -0.34 0.00 0.00 178.44 177.45