#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 3.77 -0.07 7.83 0.15 -1.26 -5.17 113.70 118.95 1sj6 s SER 2 Ca 0.00 -1.70 -0.30 0.00 0.70 0.00 0.00 55.95 54.65 1sj6 s SER 2 Cb 0.00 0.61 0.07 0.00 -1.71 0.00 0.00 66.02 64.99 1sj6 s SER 2 CO 0.00 -0.92 0.68 -0.83 1.20 0.00 0.00 173.24 173.37 1sj6 s GLY 3 N -3.81 -0.57 0.08 9.45 0.00 -1.26 -5.05 107.32 106.15 1sj6 s GLY 3 Ca 0.09 1.39 0.07 0.00 0.00 0.00 0.00 44.72 46.26 1sj6 s GLY 3 CO 0.05 1.04 -0.18 1.08 0.00 0.00 0.00 173.10 175.09 1sj6 s LEU 4 N -1.03 2.28 -0.05 0.66 1.43 -1.26 0.97 118.68 121.68 1sj6 s LEU 4 Ca -0.10 -0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 52.34 1sj6 s LEU 4 Cb -0.01 -0.73 0.03 0.00 0.03 0.00 0.00 46.19 45.52 1sj6 s LEU 4 CO 0.09 0.01 0.05 -0.13 0.23 0.00 0.00 176.35 176.60 1sj6 s ARG 5 N -1.78 0.07 -0.23 1.70 0.52 0.43 -2.75 118.95 116.91 1sj6 s ARG 5 Ca 0.03 0.30 -0.06 0.00 -0.52 0.00 0.00 55.73 55.48 1sj6 s ARG 5 Cb -0.10 -0.66 -0.03 0.00 0.52 0.00 0.00 34.95 34.69 1sj6 s ARG 5 CO 0.03 -0.34 0.04 0.08 0.02 0.00 0.00 175.30 175.14 1sj6 s VAL 6 N 2.13 4.15 0.30 3.52 1.01 -1.08 0.10 120.40 130.52 1sj6 s VAL 6 Ca 0.05 -0.23 -0.27 0.00 0.00 0.00 0.00 61.98 61.52 1sj6 s VAL 6 Cb -0.12 -2.92 -0.10 0.00 0.00 0.00 0.00 36.38 33.24 1sj6 s VAL 6 CO -0.04 0.37 0.94 -0.31 0.00 0.00 0.00 175.10 176.07 1sj6 s TYR 7 N 1.41 3.79 0.35 5.22 2.02 0.08 -0.28 117.35 129.94 1sj6 s TYR 7 Ca 0.05 1.83 -0.18 0.00 -0.37 0.00 0.00 57.07 58.40 1sj6 s TYR 7 Cb -0.15 -2.94 0.04 0.00 -0.40 0.00 0.00 41.96 38.51 1sj6 s TYR 7 CO 0.02 0.29 0.77 0.45 -1.57 0.00 0.00 175.55 175.51 1sj6 s SER 8 N -1.47 -0.08 -0.14 2.29 0.15 -1.15 -3.08 113.70 110.22 1sj6 s SER 8 Ca 0.47 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1sj6 s SER 8 Cb -0.21 0.81 0.02 0.00 -1.71 0.00 0.00 66.02 64.93 1sj6 s SER 8 CO 0.27 -1.57 -0.12 0.28 1.20 0.00 0.00 173.24 173.29 1sj6 s THR 9 N -2.84 1.44 0.04 6.45 -1.32 -1.26 -2.00 115.64 116.15 1sj6 s THR 9 Ca 0.14 -0.57 -0.20 0.00 -1.21 0.00 0.00 61.69 59.86 1sj6 s THR 9 Cb -0.05 -1.38 -0.10 0.00 -1.51 0.00 0.00 72.50 69.45 1sj6 s THR 9 CO 0.10 0.42 1.30 0.28 -2.21 0.00 0.00 174.62 174.51 1sj6 h SER 10 N 8.08 -0.70 -2.89 8.08 0.02 -1.95 -3.37 113.55 120.81 1sj6 h SER 10 Ca -0.36 0.05 -0.55 0.00 -0.84 0.00 0.00 61.79 60.08 1sj6 h SER 10 Cb 1.13 0.21 -0.08 0.00 0.14 0.00 0.00 62.40 63.81 1sj6 h SER 10 CO 0.50 -0.39 0.98 0.54 -1.14 0.00 0.00 176.83 177.31 1sj6 s VAL 11 N -4.56 3.93 0.40 2.27 0.11 -1.26 -5.01 120.40 116.28 1sj6 s VAL 11 Ca -0.10 0.67 -0.02 0.00 -2.93 0.00 0.00 61.98 59.61 1sj6 s VAL 11 Cb 0.02 -4.79 -0.03 0.00 -1.53 0.00 0.00 36.38 30.05 1sj6 s VAL 11 CO 0.32 -1.52 0.64 0.42 -3.33 0.00 0.00 175.10 171.63 1sj6 s THR 12 N 5.17 5.03 0.00 5.04 -4.23 -1.26 -5.02 115.64 120.37 1sj6 s THR 12 Ca 0.39 -0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 1sj6 s THR 12 Cb -0.08 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.90 1sj6 s THR 12 CO 0.21 -0.66 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 1sj6 n GLY 13 N -1.94 0.00 0.00 3.99 0.00 -1.26 -5.09 105.19 100.89 1sj6 n GLY 13 Ca -0.03 0.00 0.00 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 -2.09 -0.31 -0.00 1.61 2.88 -1.26 -5.01 113.62 109.44 1sj6 n SER 14 Ca 0.00 -0.56 0.06 0.00 -1.33 0.00 0.00 58.87 57.04 1sj6 n SER 14 Cb 0.13 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.52 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 -0.87 2.06 -0.10 -1.46 0.63 -1.26 -4.52 116.66 111.14 1sj6 n ARG 15 Ca 0.00 -0.04 -0.11 0.00 -0.92 0.00 0.00 57.85 56.78 1sj6 n ARG 15 Cb 0.00 -1.13 -0.16 0.00 0.45 0.00 0.00 32.46 31.62 1sj6 n ARG 15 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1sj6 n GLU 16 N -1.53 0.71 0.24 -0.14 0.00 -1.26 -3.93 120.64 114.72 1sj6 n GLU 16 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.26 1sj6 n GLU 16 Cb 0.23 -1.52 0.64 0.00 0.00 0.00 0.00 31.44 30.79 1sj6 n GLU 16 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1sj6 h ILE 17 N 0.00 0.98 0.00 3.84 1.08 -1.97 0.91 117.51 122.35 1sj6 h ILE 17 Ca -0.55 -0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 63.86 1sj6 h ILE 17 Cb 2.21 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 36.92 1sj6 h ILE 17 CO 0.02 0.00 -0.31 0.11 -0.69 0.00 0.00 178.15 177.28 1sj6 h LYS 18 N 0.01 0.00 -0.10 2.37 1.57 -1.80 -3.24 116.57 115.38 1sj6 h LYS 18 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1sj6 h LYS 18 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1sj6 h LYS 18 CO -0.00 0.95 0.07 0.77 -0.57 0.00 0.00 179.45 180.67 1sj6 h SER 19 N -1.00 0.11 0.61 0.86 0.02 -1.63 0.30 113.55 112.82 1sj6 h SER 19 Ca -0.09 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1sj6 h SER 19 Cb 1.03 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.55 1sj6 h SER 19 CO -0.05 0.08 -0.29 1.56 -1.14 0.00 0.00 176.83 176.99 1sj6 h GLN 20 N 0.13 -0.79 -0.06 3.45 7.50 -0.94 0.22 115.11 124.63 1sj6 h GLN 20 Ca 0.04 0.05 -0.12 0.00 0.50 0.00 0.00 58.65 59.12 1sj6 h GLN 20 Cb -0.00 0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.69 1sj6 h GLN 20 CO -0.01 -0.48 -0.51 -0.56 -1.50 0.00 0.00 178.83 175.78 1sj6 h GLN 21 N -1.01 0.16 0.00 1.46 3.07 -1.53 -2.36 115.11 114.89 1sj6 h GLN 21 Ca -0.08 -0.09 -0.11 0.00 0.09 0.00 0.00 58.65 58.46 1sj6 h GLN 21 Cb 0.68 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 28.23 1sj6 h GLN 21 CO 0.14 0.63 -0.52 1.03 0.09 0.00 0.00 178.83 180.19 1sj6 h SER 22 N 0.12 0.00 0.12 0.06 0.87 -0.37 -2.32 113.55 112.04 1sj6 h SER 22 Ca 0.00 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.31 1sj6 h SER 22 Cb 0.94 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.93 1sj6 h SER 22 CO 0.07 0.52 -1.08 -0.08 -0.53 0.00 0.00 176.83 175.73 1sj6 h GLU 23 N 0.00 0.52 0.00 2.24 4.57 -0.34 -2.83 114.58 118.74 1sj6 h GLU 23 Ca -0.01 -0.72 -0.07 0.00 -1.18 0.00 0.00 59.36 57.38 1sj6 h GLU 23 Cb 1.03 0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 1sj6 h GLU 23 CO 0.07 1.32 -0.35 0.28 -1.18 0.00 0.00 179.01 179.15 1sj6 h VAL 24 N 0.07 1.00 -0.00 0.32 2.07 -1.42 -2.83 116.25 115.46 1sj6 h VAL 24 Ca -0.17 -1.32 -0.05 0.00 0.82 0.00 0.00 66.70 65.97 1sj6 h VAL 24 Cb 1.80 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 1sj6 h VAL 24 CO 0.21 0.34 -0.21 0.71 0.02 0.00 0.00 177.57 178.64 1sj6 h THR 25 N 0.00 1.56 -0.92 2.57 1.35 -1.47 -2.72 112.91 113.28 1sj6 h THR 25 Ca -0.00 -1.94 0.06 0.00 -0.55 0.00 0.00 66.41 63.98 1sj6 h THR 25 Cb 0.74 2.80 -0.06 0.00 -1.73 0.00 0.00 68.15 69.89 1sj6 h THR 25 CO 0.05 0.53 0.58 0.08 -0.25 0.00 0.00 175.52 176.50 1sj6 h ARG 26 N -0.55 1.04 0.73 4.72 0.11 -1.48 0.71 114.38 119.65 1sj6 h ARG 26 Ca -0.03 -0.06 -0.04 0.00 0.10 0.00 0.00 59.98 59.96 1sj6 h ARG 26 Cb 0.97 -0.23 0.01 0.00 1.11 0.00 0.00 29.97 31.83 1sj6 h ARG 26 CO 0.04 0.69 -0.35 0.82 0.10 0.00 0.00 179.97 181.27 1sj6 h ILE 27 N 1.07 0.00 -0.50 0.08 2.04 -1.58 0.10 117.51 118.72 1sj6 h ILE 27 Ca 0.39 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 66.01 1sj6 h ILE 27 Cb 0.15 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 1sj6 h ILE 27 CO -0.17 0.00 0.30 -0.07 0.00 0.00 0.00 178.15 178.22 1sj6 h LEU 28 N -1.24 0.50 0.02 1.44 3.38 -1.36 -1.44 115.31 116.61 1sj6 h LEU 28 Ca -0.10 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1sj6 h LEU 28 Cb 0.75 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1sj6 h LEU 28 CO 0.16 0.36 -0.06 -0.78 0.09 0.00 0.00 178.44 178.22 1sj6 h ASP 29 N 0.61 -0.16 -0.16 -0.43 3.58 0.40 -1.83 116.42 118.44 1sj6 h ASP 29 Ca 0.20 0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.71 1sj6 h ASP 29 Cb -0.00 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1sj6 h ASP 29 CO -0.08 -0.09 0.12 1.23 -2.88 0.00 0.00 179.24 177.54 1sj6 h GLY 30 N -0.11 0.00 2.00 -0.78 0.00 -0.51 0.20 103.07 103.88 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 -0.04 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.78 1sj6 n LYS 31 N -4.47 0.06 -2.94 4.80 5.02 -0.57 -4.90 118.16 115.17 1sj6 n LYS 31 Ca 0.01 0.18 -0.10 0.00 -2.02 0.00 0.00 58.31 56.38 1sj6 n LYS 31 Cb 0.25 -1.59 0.04 0.00 -0.02 0.00 0.00 35.03 33.70 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 -1.71 -3.56 -2.82 1.97 5.12 0.72 -5.03 116.66 111.35 1sj6 n ARG 32 Ca 0.05 0.38 -0.27 0.00 -1.93 0.00 0.00 57.85 56.08 1sj6 n ARG 32 Cb 0.27 -4.06 -0.01 0.00 -1.16 0.00 0.00 32.46 27.51 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 -3.15 4.93 -0.62 0.55 1.01 -1.08 -5.02 121.20 117.82 1sj6 s ILE 33 Ca 0.22 0.15 0.02 0.00 0.00 0.00 0.00 60.65 61.04 1sj6 s ILE 33 Cb -0.10 -3.84 0.38 0.00 0.01 0.00 0.00 42.46 38.92 1sj6 s ILE 33 CO 0.34 -0.73 1.44 0.00 0.00 0.00 0.00 174.94 175.98 1sj6 n GLN 34 N -1.97 3.31 -3.38 2.79 3.00 -1.26 -4.87 117.38 114.99 1sj6 n GLN 34 Ca -0.00 -4.23 -0.27 0.00 -0.01 0.00 0.00 57.00 52.49 1sj6 n GLN 34 Cb 0.55 -2.27 -0.02 0.00 0.00 0.00 0.00 30.24 28.50 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 -3.76 3.49 0.65 1.08 1.13 -1.26 -4.84 117.35 113.84 1sj6 s TYR 35 Ca 0.49 0.51 0.06 0.00 -1.41 0.00 0.00 57.07 56.72 1sj6 s TYR 35 Cb 0.39 -2.01 0.12 0.00 -1.10 0.00 0.00 41.96 39.36 1sj6 s TYR 35 CO -0.26 0.18 0.89 0.00 -2.51 0.00 0.00 175.55 173.85 1sj6 n GLN 36 N -1.19 0.32 -3.73 -3.49 0.00 -1.11 -5.01 117.38 103.16 1sj6 n GLN 36 Ca -0.03 -3.02 -0.30 0.00 0.00 0.00 0.00 57.00 53.65 1sj6 n GLN 36 Cb 0.55 -0.41 -0.15 0.00 0.00 0.00 0.00 30.24 30.23 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 2.35 -1.30 2.61 0.20 -1.26 -2.63 118.68 118.64 1sj6 s LEU 37 Ca 0.64 -1.80 -0.18 0.00 0.69 0.00 0.00 54.13 53.48 1sj6 s LEU 37 Cb -0.04 -0.90 0.06 0.00 -0.43 0.00 0.00 46.19 44.88 1sj6 s LEU 37 CO 0.41 -0.39 1.77 1.33 -0.29 0.00 0.00 176.35 179.19 1sj6 n VAL 38 N 4.64 3.83 -2.66 1.68 0.24 0.62 -4.90 118.33 121.77 1sj6 n VAL 38 Ca -0.00 -3.95 -0.42 0.00 -2.04 0.00 0.00 64.34 57.93 1sj6 n VAL 38 Cb 0.41 -2.36 -0.03 0.00 -1.47 0.00 0.00 33.84 30.39 1sj6 n VAL 38 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1sj6 s ASP 39 N 4.28 7.29 0.20 -1.34 1.47 -1.26 -3.25 116.67 124.06 1sj6 s ASP 39 Ca 0.54 1.68 0.22 0.00 1.18 0.00 0.00 52.55 56.17 1sj6 s ASP 39 Cb 0.04 -2.57 0.00 0.00 -0.34 0.00 0.00 42.92 40.06 1sj6 s ASP 39 CO 0.07 -0.35 1.06 0.16 0.68 0.00 0.00 175.17 176.80 1sj6 h ILE 40 N 4.85 0.08 0.00 2.11 3.07 -1.74 -3.33 117.51 122.55 1sj6 h ILE 40 Ca -0.38 -1.16 -0.01 0.00 1.55 0.00 0.00 64.86 64.86 1sj6 h ILE 40 Cb 1.20 1.62 -0.00 0.00 -0.27 0.00 0.00 36.82 39.37 1sj6 h ILE 40 CO 0.79 0.05 -0.05 -1.28 -1.05 0.00 0.00 178.15 176.61 1sj6 h SER 41 N 0.00 0.00 0.33 2.16 0.87 -1.92 -3.16 113.55 111.83 1sj6 h SER 41 Ca -0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1sj6 h SER 41 Cb 1.09 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1sj6 h SER 41 CO 0.01 0.05 -0.22 -0.61 -0.53 0.00 0.00 176.83 175.53 1sj6 h GLN 42 N 0.00 -0.50 0.00 2.24 -0.00 -1.91 -3.47 115.11 111.47 1sj6 h GLN 42 Ca -0.00 0.03 -0.37 0.00 -0.00 0.00 0.00 58.65 58.31 1sj6 h GLN 42 Cb 0.21 0.11 -0.05 0.00 0.00 0.00 0.00 27.48 27.75 1sj6 h GLN 42 CO 0.01 -0.34 -0.23 -3.47 0.00 0.00 0.00 178.83 174.80 1sj6 n ASP 43 N -3.68 2.49 -0.01 -0.69 2.03 -1.19 -5.06 116.55 110.44 1sj6 n ASP 43 Ca -0.06 -2.25 0.11 0.00 0.52 0.00 0.00 54.79 53.11 1sj6 n ASP 43 Cb 0.22 0.11 -0.17 0.00 -0.72 0.00 0.00 41.12 40.56 1sj6 n ASP 43 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1sj6 n ASN 44 N -1.51 0.06 -0.05 1.67 6.94 -1.26 -4.19 115.26 116.92 1sj6 n ASN 44 Ca -0.08 -0.06 0.16 0.00 -0.02 0.00 0.00 54.58 54.59 1sj6 n ASN 44 Cb 0.38 1.93 0.91 0.00 -2.36 0.00 0.00 39.78 40.64 1sj6 n ASN 44 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1sj6 n ALA 45 N -2.21 2.68 -0.08 -2.53 0.00 -1.26 -3.40 120.51 113.70 1sj6 n ALA 45 Ca -0.04 -0.22 -0.17 0.00 0.00 0.00 0.00 53.44 53.01 1sj6 n ALA 45 Cb 0.56 -1.49 -0.13 0.00 0.00 0.00 0.00 19.45 18.39 1sj6 n ALA 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sj6 n LEU 46 N -0.89 2.38 -0.05 0.00 7.99 -1.26 -3.53 117.00 121.64 1sj6 n LEU 46 Ca 0.24 0.01 -0.12 0.00 -0.01 0.00 0.00 56.01 56.12 1sj6 n LEU 46 Cb 0.13 -0.72 -0.06 0.00 -0.11 0.00 0.00 43.42 42.66 1sj6 n LEU 46 CO 0.18 0.83 0.74 0.03 -1.51 0.00 0.00 177.39 177.66 1sj6 h ARG 47 N 0.02 0.25 -0.00 3.23 3.08 -1.73 0.15 114.38 119.38 1sj6 h ARG 47 Ca -0.52 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.45 1sj6 h ARG 47 Cb 1.99 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 32.02 1sj6 h ARG 47 CO -0.02 0.49 -0.01 -3.47 -1.07 0.00 0.00 179.97 175.89 1sj6 n ASP 48 N -4.76 0.25 -0.10 7.04 -0.08 -1.22 -2.63 116.55 115.05 1sj6 n ASP 48 Ca -0.05 -0.94 -0.11 0.00 -1.51 0.00 0.00 54.79 52.18 1sj6 n ASP 48 Cb 0.22 -0.04 -0.15 0.00 2.34 0.00 0.00 41.12 43.49 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 -0.86 0.75 0.05 -0.67 4.07 -1.07 -4.18 120.64 118.73 1sj6 n GLU 49 Ca 0.21 0.01 -0.20 0.00 -0.06 0.00 0.00 57.16 57.12 1sj6 n GLU 49 Cb 0.17 -1.51 -0.14 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 0.33 -0.30 5.31 4.05 -0.94 -2.84 114.93 120.54 1sj6 h MET 50 Ca -0.54 -0.52 0.08 0.00 -0.28 0.00 0.00 59.70 58.44 1sj6 h MET 50 Cb 2.19 0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 33.16 1sj6 h MET 50 CO 0.02 1.23 0.21 0.00 0.23 0.00 0.00 176.91 178.60 1sj6 h ARG 51 N -0.31 0.02 0.06 0.39 -0.00 -1.73 0.50 114.38 113.32 1sj6 h ARG 51 Ca -0.14 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.34 1sj6 h ARG 51 Cb 1.61 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.58 1sj6 h ARG 51 CO 0.15 0.01 -0.03 0.00 0.00 0.00 0.00 179.97 180.11 1sj6 h ALA 52 N 1.85 -0.10 -0.14 0.04 0.00 -1.72 -2.55 119.26 116.64 1sj6 h ALA 52 Ca 0.14 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1sj6 h ALA 52 Cb 0.53 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1sj6 h ALA 52 CO -0.00 -0.09 0.10 1.37 0.00 0.00 0.00 179.25 180.62 1sj6 h LEU 53 N -0.83 0.00 -0.59 0.00 8.10 -1.37 0.67 115.31 121.29 1sj6 h LEU 53 Ca -0.01 -0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.98 1sj6 h LEU 53 Cb 0.07 -0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.28 1sj6 h LEU 53 CO 0.01 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.35 1sj6 h ALA 54 N 1.93 1.00 -4.93 0.17 0.00 -0.11 -3.45 119.26 113.87 1sj6 h ALA 54 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.68 1sj6 h ALA 54 Cb 0.26 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.18 1sj6 h ALA 54 CO -0.00 0.00 -0.58 0.41 0.00 0.00 0.00 179.25 179.08 1sj6 n GLY 55 N 0.51 -0.24 0.00 0.00 0.00 0.23 -4.99 105.19 100.70 1sj6 n GLY 55 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.41 0.00 -1.22 1.61 6.94 -0.97 -5.03 115.26 114.19 1sj6 n ASN 56 Ca -0.10 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.43 1sj6 n ASN 56 Cb 0.59 0.00 0.11 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 1.94 0.00 -0.53 -0.05 -1.26 -3.42 135.00 131.68 1sj6 n PRO 57 Ca 0.00 -1.11 0.00 0.00 -0.05 0.00 0.00 63.50 62.34 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 0.36 -0.05 0.00 0.00 175.50 175.81 1sj6 n LYS 58 N 0.07 0.59 0.00 0.54 2.85 -1.26 -5.09 118.16 115.87 1sj6 n LYS 58 Ca 0.16 -0.64 0.00 0.00 -1.05 0.00 0.00 58.31 56.78 1sj6 n LYS 58 Cb 0.75 -0.70 0.00 0.00 -0.65 0.00 0.00 35.03 34.43 1sj6 n LYS 58 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1sj6 n ALA 59 N -0.13 0.00 -2.38 0.58 0.00 -1.22 -5.08 120.51 112.28 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 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.47 0.12 0.17 0.00 -4.23 -1.26 -5.08 115.64 104.90 1sj6 s THR 60 Ca 0.00 -1.59 -0.27 0.00 -1.18 0.00 0.00 61.69 58.65 1sj6 s THR 60 Cb 0.00 -1.74 0.01 0.00 1.34 0.00 0.00 72.50 72.11 1sj6 s THR 60 CO 0.00 -0.56 1.55 1.55 -0.54 0.00 0.00 174.62 176.62 1sj6 h PRO 61 N 2.80 -0.09 -5.88 3.99 0.13 -1.93 -3.36 132.00 127.67 1sj6 h PRO 61 Ca -0.34 0.01 -0.49 0.00 -0.87 0.00 0.00 66.00 64.31 1sj6 h PRO 61 Cb 1.20 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1sj6 h PRO 61 CO 0.57 -0.06 1.45 -1.25 -0.23 0.00 0.00 178.00 178.48 1sj6 s PRO 62 N -5.68 2.51 -0.21 1.56 0.04 -1.22 -2.91 135.00 129.08 1sj6 s PRO 62 Ca -0.13 0.98 -0.04 0.00 0.04 0.00 0.00 61.00 61.85 1sj6 s PRO 62 Cb 0.13 -4.44 0.10 0.00 0.04 0.00 0.00 34.50 30.33 1sj6 s PRO 62 CO 0.65 -2.84 0.27 -0.65 0.04 0.00 0.00 177.00 174.47 1sj6 s GLN 63 N 7.35 0.24 0.23 4.56 -1.52 -1.18 -3.44 119.66 125.90 1sj6 s GLN 63 Ca 0.79 0.34 -0.30 0.00 -1.95 0.00 0.00 55.36 54.24 1sj6 s GLN 63 Cb -0.15 -0.92 -0.09 0.00 -0.22 0.00 0.00 33.01 31.63 1sj6 s GLN 63 CO 0.24 -0.63 0.94 0.42 -0.25 0.00 0.00 175.29 176.01 1sj6 s ILE 64 N 2.40 4.11 -0.03 1.08 1.09 -1.06 -0.74 121.20 128.05 1sj6 s ILE 64 Ca 0.08 2.08 0.04 0.00 -1.10 0.00 0.00 60.65 61.76 1sj6 s ILE 64 Cb -0.15 -4.33 -0.01 0.00 -1.06 0.00 0.00 42.46 36.91 1sj6 s ILE 64 CO -0.13 0.48 -0.15 -0.69 -0.10 0.00 0.00 174.94 174.35 1sj6 s VAL 65 N -1.06 1.21 -1.01 2.92 1.01 0.29 -2.40 120.40 121.37 1sj6 s VAL 65 Ca 0.42 -0.62 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 1sj6 s VAL 65 Cb -0.26 -1.03 0.19 0.00 0.00 0.00 0.00 36.38 35.28 1sj6 s VAL 65 CO 0.32 0.35 1.11 0.21 0.00 0.00 0.00 175.10 177.09 1sj6 s ASN 66 N -0.12 6.90 0.00 3.32 3.04 -0.76 -0.43 114.94 126.90 1sj6 s ASN 66 Ca 0.01 -2.73 0.00 0.00 0.04 0.00 0.00 52.86 50.18 1sj6 s ASN 66 Cb -0.08 -2.32 0.00 0.00 -1.54 0.00 0.00 41.25 37.31 1sj6 s ASN 66 CO 0.01 -0.72 0.00 0.61 -3.04 0.00 0.00 177.10 173.96 1sj6 n GLY 67 N 4.26 1.29 0.97 1.21 0.00 0.27 -2.83 105.19 110.37 1sj6 n GLY 67 Ca 0.25 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 46.18 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 3.05 -0.91 -4.20 1.61 2.03 -1.26 -4.84 116.55 112.02 1sj6 n ASP 68 Ca 0.00 -1.82 -0.13 0.00 0.52 0.00 0.00 54.79 53.36 1sj6 n ASP 68 Cb 0.00 0.28 -0.10 0.00 -0.72 0.00 0.00 41.12 40.58 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 0.00 0.92 -0.79 -0.67 -0.21 -1.13 -5.09 119.66 112.68 1sj6 s GLN 69 Ca 0.00 -1.34 -0.26 0.00 0.02 0.00 0.00 55.36 53.78 1sj6 s GLN 69 Cb 0.00 -0.42 0.03 0.00 1.00 0.00 0.00 33.01 33.62 1sj6 s GLN 69 CO -0.00 0.04 1.33 -0.47 -2.12 0.00 0.00 175.29 174.07 1sj6 s TYR 70 N -3.27 2.31 -0.13 0.91 5.04 -1.26 -1.83 117.35 119.13 1sj6 s TYR 70 Ca 0.12 -0.19 -0.22 0.00 -2.44 0.00 0.00 57.07 54.34 1sj6 s TYR 70 Cb 0.03 -4.63 -0.20 0.00 0.35 0.00 0.00 41.96 37.51 1sj6 s TYR 70 CO -0.02 -2.05 0.61 0.00 -1.34 0.00 0.00 175.55 172.75 1sj6 n GLY 72 N 1.60 -0.83 0.00 0.00 0.00 -1.01 -5.04 105.19 99.92 1sj6 n GLY 72 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.06 1.61 5.68 -1.26 -2.56 116.55 120.08 1sj6 n ASP 73 Ca 0.00 -0.51 -0.11 0.00 -0.50 0.00 0.00 54.79 53.67 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 0.51 -0.59 0.03 2.11 3.20 -1.97 -0.83 116.97 119.43 1sj6 h TYR 74 Ca 0.00 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1sj6 h TYR 74 Cb 0.00 0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 1sj6 h TYR 74 CO 0.00 -0.31 -0.43 1.49 -1.64 0.00 0.00 178.16 177.27 1sj6 h GLU 75 N -0.35 -0.54 0.22 1.82 4.22 -1.97 0.33 114.58 118.31 1sj6 h GLU 75 Ca 0.06 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.54 1sj6 h GLU 75 Cb 0.43 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1sj6 h GLU 75 CO -0.20 -0.36 -0.40 -0.07 -2.18 0.00 0.00 179.01 175.80 1sj6 h LEU 76 N -0.56 -1.16 -0.49 1.64 4.07 -1.93 0.92 115.31 117.79 1sj6 h LEU 76 Ca 0.01 0.11 0.09 0.00 0.08 0.00 0.00 57.88 58.17 1sj6 h LEU 76 Cb 0.59 0.41 -0.10 0.00 1.08 0.00 0.00 40.66 42.64 1sj6 h LEU 76 CO -0.27 -0.47 -0.35 0.15 -1.08 0.00 0.00 178.44 176.42 1sj6 h PHE 77 N -0.66 -0.99 -0.06 1.13 3.04 -1.05 0.33 116.94 118.67 1sj6 h PHE 77 Ca -0.02 0.07 -0.04 0.00 3.98 0.00 0.00 57.97 61.96 1sj6 h PHE 77 Cb 0.62 0.50 -0.01 0.00 2.56 0.00 0.00 35.95 39.63 1sj6 h PHE 77 CO -0.33 -0.39 -0.13 0.28 -2.02 0.00 0.00 178.31 175.71 1sj6 h VAL 78 N -0.22 1.14 0.00 1.41 2.07 -0.09 -0.74 116.25 119.82 1sj6 h VAL 78 Ca 0.19 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1sj6 h VAL 78 Cb 0.55 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1sj6 h VAL 78 CO -0.61 0.18 0.00 1.21 0.02 0.00 0.00 177.57 178.37 1sj6 n GLU 79 N -4.33 0.73 -0.12 1.57 2.13 0.32 -3.47 120.64 117.46 1sj6 n GLU 79 Ca -0.02 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.55 1sj6 n GLU 79 Cb 0.23 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.34 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 -1.13 1.03 -0.03 4.31 0.00 0.16 -4.35 120.51 120.51 1sj6 n ALA 80 Ca 0.19 -0.88 0.16 0.00 0.00 0.00 0.00 53.44 52.92 1sj6 n ALA 80 Cb 0.16 -0.09 0.61 0.00 0.00 0.00 0.00 19.45 20.13 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 0.81 -0.37 0.00 2.07 -1.59 1.07 116.25 117.24 1sj6 h VAL 81 Ca -0.54 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 66.98 1sj6 h VAL 81 Cb 1.45 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 1sj6 h VAL 81 CO -0.33 0.03 0.04 1.05 0.02 0.00 0.00 177.57 178.38 1sj6 h GLU 82 N 0.17 0.14 -0.44 1.57 -0.00 -1.75 -1.95 114.58 112.33 1sj6 h GLU 82 Ca 0.26 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.61 1sj6 h GLU 82 Cb 0.78 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.50 1sj6 h GLU 82 CO -0.04 0.09 0.00 0.94 -0.00 0.00 0.00 179.01 180.00 1sj6 n GLN 83 N -5.14 2.47 -1.28 1.06 7.27 -0.75 -4.91 117.38 116.09 1sj6 n GLN 83 Ca 0.02 -2.24 -0.04 0.00 0.07 0.00 0.00 57.00 54.81 1sj6 n GLN 83 Cb 0.18 -1.51 -0.01 0.00 2.41 0.00 0.00 30.24 31.31 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 1.41 -3.21 0.12 1.69 5.15 -0.08 -4.91 115.26 115.44 1sj6 n ASN 84 Ca 0.20 0.08 0.12 0.00 -0.60 0.00 0.00 54.58 54.38 1sj6 n ASN 84 Cb 0.58 -1.33 0.11 0.00 -0.53 0.00 0.00 39.78 38.62 1sj6 n ASN 84 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1sj6 h THR 85 N 0.00 0.00 -0.52 -0.44 1.35 0.85 -3.38 112.91 110.77 1sj6 h THR 85 Ca -0.08 -0.84 0.19 0.00 -0.55 0.00 0.00 66.41 65.13 1sj6 h THR 85 Cb 0.40 1.52 -0.10 0.00 -1.73 0.00 0.00 68.15 68.24 1sj6 h THR 85 CO 0.12 0.00 0.17 -0.11 -0.25 0.00 0.00 175.52 175.45 1sj6 n LEU 86 N -2.61 0.08 0.12 3.87 7.94 -0.89 0.11 117.00 125.62 1sj6 n LEU 86 Ca 0.02 0.87 -0.14 0.00 -1.11 0.00 0.00 56.01 55.66 1sj6 n LEU 86 Cb 0.51 -0.38 -0.07 0.00 0.53 0.00 0.00 43.42 44.01 1sj6 n LEU 86 CO 0.37 -0.94 0.61 -0.61 -1.11 0.00 0.00 177.39 175.71 1sj6 h GLN 87 N 0.00 -0.59 -0.91 1.96 4.15 -1.90 0.63 115.11 118.45 1sj6 h GLN 87 Ca 0.39 0.04 0.26 0.00 0.77 0.00 0.00 58.65 60.11 1sj6 h GLN 87 Cb 0.96 0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.75 1sj6 h GLN 87 CO -0.44 -0.39 0.94 1.49 -1.93 0.00 0.00 178.83 178.49 1sj6 h GLU 88 N -0.61 0.00 0.00 1.69 4.81 0.74 1.84 114.58 123.05 1sj6 h GLU 88 Ca 0.02 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.08 1sj6 h GLU 88 Cb 0.64 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 1sj6 h GLU 88 CO -0.21 0.00 -2.09 0.34 -0.73 0.00 0.00 179.01 176.31 1sj6 n PHE 89 N -3.54 0.11 0.00 0.92 -0.00 0.08 -3.87 117.46 111.16 1sj6 n PHE 89 Ca 0.20 0.04 0.00 0.00 -0.00 0.00 0.00 57.45 57.68 1sj6 n PHE 89 Cb 1.23 -0.78 0.00 0.00 -0.00 0.00 0.00 39.48 39.94 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 -2.53 0.04 -0.42 -2.13 4.77 0.35 -4.72 117.00 112.35 1sj6 n LEU 90 Ca -0.17 0.02 0.13 0.00 -0.03 0.00 0.00 56.01 55.96 1sj6 n LEU 90 Cb 0.84 -0.39 0.30 0.00 -2.33 0.00 0.00 43.42 41.84 1sj6 n LEU 90 CO 0.44 -0.39 0.62 0.29 -1.33 0.00 0.00 177.39 177.02 1sj6 n LYS 91 N -2.25 1.25 0.00 3.23 5.02 0.14 -4.97 118.16 120.58 1sj6 n LYS 91 Ca 0.00 -0.85 0.00 0.00 -2.02 0.00 0.00 58.31 55.44 1sj6 n LYS 91 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 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 -0.13 0.00 0.02 -0.35 7.99 0.54 -3.58 117.00 121.49 1sj6 n LEU 92 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.13 1sj6 n LEU 92 Cb 0.40 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.71 1sj6 n LEU 92 CO 0.23 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.11 1sj6 n ALA 93 N 0.41 1.77 -2.53 -1.18 0.00 -1.26 -3.73 120.51 113.99 1sj6 n ALA 93 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1sj6 n ALA 93 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1sj6 n ALA 93 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sj6 n LEU 94 N -2.61 -2.12 -0.32 0.00 4.77 -1.24 -5.09 117.00 110.39 1sj6 n LEU 94 Ca 0.00 -0.08 0.15 0.00 -0.03 0.00 0.00 56.01 56.05 1sj6 n LEU 94 Cb 0.00 -2.94 0.66 0.00 -2.33 0.00 0.00 43.42 38.81 1sj6 n LEU 94 CO 0.00 -0.12 0.95 1.21 -1.33 0.00 0.00 177.39 178.10