#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 7.24 0.10 3.17 0.01 -1.26 -5.06 113.70 117.90 1sj6 s SER 2 Ca 0.00 1.80 -0.25 0.00 1.31 0.00 0.00 55.95 58.81 1sj6 s SER 2 Cb 0.00 -2.57 0.07 0.00 0.21 0.00 0.00 66.02 63.73 1sj6 s SER 2 CO 0.00 -0.14 0.62 -0.83 0.41 0.00 0.00 173.24 173.30 1sj6 s GLY 3 N -1.76 -0.61 -0.26 3.44 0.00 -1.26 -5.16 107.32 101.71 1sj6 s GLY 3 Ca 0.53 0.71 -0.09 0.00 0.00 0.00 0.00 44.72 45.87 1sj6 s GLY 3 CO 0.21 0.37 0.57 1.08 0.00 0.00 0.00 173.10 175.33 1sj6 s LEU 4 N -2.34 -0.92 -0.16 0.66 1.43 -1.26 -4.88 118.68 111.20 1sj6 s LEU 4 Ca -0.02 1.36 -0.03 0.00 -1.03 0.00 0.00 54.13 54.41 1sj6 s LEU 4 Cb -0.01 1.97 -0.02 0.00 0.03 0.00 0.00 46.19 48.16 1sj6 s LEU 4 CO -0.07 -0.22 -0.06 -0.13 0.23 0.00 0.00 176.35 176.10 1sj6 s ARG 5 N 2.63 3.54 -0.15 1.70 0.52 0.11 0.47 118.95 127.78 1sj6 s ARG 5 Ca -0.05 -0.58 0.00 0.00 -0.52 0.00 0.00 55.73 54.58 1sj6 s ARG 5 Cb -0.11 -2.86 0.02 0.00 0.52 0.00 0.00 34.95 32.52 1sj6 s ARG 5 CO -0.17 0.15 -0.14 0.08 0.02 0.00 0.00 175.30 175.24 1sj6 s VAL 6 N 0.59 1.55 0.29 3.52 1.01 -1.14 0.61 120.40 126.83 1sj6 s VAL 6 Ca -0.04 -0.63 -0.28 0.00 0.00 0.00 0.00 61.98 61.03 1sj6 s VAL 6 Cb -0.15 -1.47 -0.10 0.00 0.00 0.00 0.00 36.38 34.67 1sj6 s VAL 6 CO 0.03 0.44 0.95 -0.31 0.00 0.00 0.00 175.10 176.21 1sj6 s TYR 7 N 1.49 3.80 0.34 5.22 2.02 0.17 0.51 117.35 130.89 1sj6 s TYR 7 Ca 0.05 1.83 -0.06 0.00 -0.37 0.00 0.00 57.07 58.52 1sj6 s TYR 7 Cb -0.13 -2.95 0.01 0.00 -0.40 0.00 0.00 41.96 38.49 1sj6 s TYR 7 CO -0.11 0.28 0.53 0.45 -1.57 0.00 0.00 175.55 175.13 1sj6 s SER 8 N -1.43 0.61 -0.32 2.29 0.15 -1.00 -2.80 113.70 111.18 1sj6 s SER 8 Ca 0.47 -1.35 -0.00 0.00 0.70 0.00 0.00 55.95 55.77 1sj6 s SER 8 Cb -0.22 0.68 0.10 0.00 -1.71 0.00 0.00 66.02 64.88 1sj6 s SER 8 CO 0.27 -1.34 0.11 0.28 1.20 0.00 0.00 173.24 173.76 1sj6 s THR 9 N -3.07 1.03 0.03 6.45 -1.32 -1.26 -2.40 115.64 115.11 1sj6 s THR 9 Ca 0.27 -1.58 -0.25 0.00 -1.21 0.00 0.00 61.69 58.92 1sj6 s THR 9 Cb -0.01 -1.78 -0.17 0.00 -1.51 0.00 0.00 72.50 69.03 1sj6 s THR 9 CO 0.17 -0.69 1.48 0.28 -2.21 0.00 0.00 174.62 173.65 1sj6 h SER 10 N 7.92 -0.07 -3.60 8.08 0.02 -1.94 -3.40 113.55 120.56 1sj6 h SER 10 Ca -0.12 -0.22 -0.71 0.00 -0.84 0.00 0.00 61.79 59.91 1sj6 h SER 10 Cb 1.01 0.02 -0.25 0.00 0.14 0.00 0.00 62.40 63.31 1sj6 h SER 10 CO 0.47 0.18 -0.53 -0.69 -1.14 0.00 0.00 176.83 175.12 1sj6 s VAL 11 N -5.21 4.45 -0.27 2.27 1.01 -1.26 -5.04 120.40 116.35 1sj6 s VAL 11 Ca -0.15 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.82 1sj6 s VAL 11 Cb 0.04 -3.49 0.11 0.00 0.00 0.00 0.00 36.38 33.03 1sj6 s VAL 11 CO 0.65 -0.23 0.59 0.28 0.00 0.00 0.00 175.10 176.39 1sj6 s THR 12 N 1.53 -0.66 0.34 3.92 -1.32 -1.26 -4.94 115.64 113.25 1sj6 s THR 12 Ca 0.01 0.04 0.33 0.00 -1.21 0.00 0.00 61.69 60.87 1sj6 s THR 12 Cb -0.19 -0.90 0.35 0.00 -1.51 0.00 0.00 72.50 70.25 1sj6 s THR 12 CO 0.06 0.02 2.09 1.23 -2.21 0.00 0.00 174.62 175.80 1sj6 h GLY 13 N 7.78 0.00 -2.22 6.08 0.00 -1.98 -3.45 103.07 109.28 1sj6 h GLY 13 Ca -0.21 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.57 1sj6 h GLY 13 CO 0.13 0.00 -0.06 -1.26 0.00 0.00 0.00 176.54 175.35 1sj6 n SER 14 N -3.32 -0.12 -0.00 0.19 2.88 -1.26 -4.94 113.62 107.05 1sj6 n SER 14 Ca -0.01 0.61 0.02 0.00 -1.33 0.00 0.00 58.87 58.17 1sj6 n SER 14 Cb 0.24 -1.35 -0.03 0.00 -0.75 0.00 0.00 64.21 62.32 1sj6 n SER 14 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1sj6 n ARG 15 N -1.70 3.72 -0.08 -1.46 1.74 -1.26 -4.44 116.66 113.18 1sj6 n ARG 15 Ca 0.12 -0.01 -0.11 0.00 -0.77 0.00 0.00 57.85 57.07 1sj6 n ARG 15 Cb 0.50 -0.86 -0.15 0.00 -1.02 0.00 0.00 32.46 30.93 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 -1.29 0.67 0.15 5.56 4.71 -1.26 -4.11 120.64 125.07 1sj6 n GLU 16 Ca 0.00 0.09 -0.01 0.00 -0.01 0.00 0.00 57.16 57.24 1sj6 n GLU 16 Cb 0.10 -1.59 0.21 0.00 -1.01 0.00 0.00 31.44 29.15 1sj6 n GLU 16 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1sj6 h ILE 17 N 0.00 1.40 -0.38 -3.67 2.04 -1.98 -3.06 117.51 111.85 1sj6 h ILE 17 Ca -0.48 -1.90 -0.14 0.00 1.00 0.00 0.00 64.86 63.34 1sj6 h ILE 17 Cb 2.14 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 40.24 1sj6 h ILE 17 CO 0.03 0.54 -0.31 0.11 0.00 0.00 0.00 178.15 178.52 1sj6 h LYS 18 N 0.01 0.83 -0.24 2.37 1.57 -1.78 -2.87 116.57 116.47 1sj6 h LYS 18 Ca -0.01 -0.39 0.02 0.00 -1.87 0.00 0.00 60.65 58.41 1sj6 h LYS 18 Cb 0.99 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 1sj6 h LYS 18 CO 0.07 1.02 0.16 1.03 -0.57 0.00 0.00 179.45 181.17 1sj6 h SER 19 N 0.70 0.19 0.53 0.86 0.87 -1.69 0.10 113.55 115.11 1sj6 h SER 19 Ca 0.08 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 1sj6 h SER 19 Cb 0.86 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.78 1sj6 h SER 19 CO 0.08 0.13 -0.25 1.56 -0.53 0.00 0.00 176.83 177.81 1sj6 h GLN 20 N 0.22 -0.68 -0.06 2.24 4.20 -1.54 -0.88 115.11 118.61 1sj6 h GLN 20 Ca 0.10 0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.86 1sj6 h GLN 20 Cb 0.12 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 1sj6 h GLN 20 CO -0.02 -0.45 0.04 -0.56 -0.67 0.00 0.00 178.83 177.17 1sj6 h GLN 21 N -1.05 0.05 -0.06 1.46 3.07 -1.46 -1.76 115.11 115.36 1sj6 h GLN 21 Ca -0.07 -0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.64 1sj6 h GLN 21 Cb 0.54 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 28.09 1sj6 h GLN 21 CO 0.12 0.03 -0.05 1.03 0.09 0.00 0.00 178.83 180.06 1sj6 h SER 22 N 0.05 0.15 -0.19 0.06 0.87 -0.79 -1.30 113.55 112.40 1sj6 h SER 22 Ca 0.03 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1sj6 h SER 22 Cb 0.04 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1sj6 h SER 22 CO -0.00 0.57 0.12 -0.08 -0.53 0.00 0.00 176.83 176.91 1sj6 h GLU 23 N -0.27 0.26 0.24 2.24 4.57 -0.67 0.83 114.58 121.78 1sj6 h GLU 23 Ca 0.01 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1sj6 h GLU 23 Cb 0.52 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1sj6 h GLU 23 CO 0.01 0.19 -0.12 0.28 -1.18 0.00 0.00 179.01 178.20 1sj6 h VAL 24 N 0.25 0.77 -0.08 0.32 2.07 -1.38 -2.40 116.25 115.79 1sj6 h VAL 24 Ca 0.07 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1sj6 h VAL 24 Cb -0.00 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1sj6 h VAL 24 CO -0.01 0.01 0.04 0.74 0.02 0.00 0.00 177.57 178.36 1sj6 h THR 25 N -0.35 1.03 -0.31 2.57 2.02 -1.14 -1.84 112.91 114.91 1sj6 h THR 25 Ca -0.03 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.06 1sj6 h THR 25 Cb 0.27 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1sj6 h THR 25 CO 0.06 0.04 0.19 -0.09 0.37 0.00 0.00 175.52 176.08 1sj6 h ARG 26 N 0.11 0.38 0.02 6.66 2.43 -0.33 0.70 114.38 124.35 1sj6 h ARG 26 Ca 0.03 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1sj6 h ARG 26 Cb 0.02 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1sj6 h ARG 26 CO -0.00 0.25 -0.01 0.82 -1.51 0.00 0.00 179.97 179.52 1sj6 h ILE 27 N 0.39 1.36 0.15 1.20 2.04 -1.16 -0.60 117.51 120.89 1sj6 h ILE 27 Ca 0.12 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 1sj6 h ILE 27 Cb -0.02 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1sj6 h ILE 27 CO -0.04 0.31 -0.07 -0.07 0.00 0.00 0.00 178.15 178.27 1sj6 h LEU 28 N -0.56 -0.18 -0.11 1.44 3.38 -1.29 0.09 115.31 118.09 1sj6 h LEU 28 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sj6 h LEU 28 Cb 0.53 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1sj6 h LEU 28 CO 0.00 -0.12 0.07 -0.78 0.09 0.00 0.00 178.44 177.70 1sj6 h ASP 29 N -0.21 0.13 -0.55 -0.43 1.82 0.33 -2.37 116.42 115.14 1sj6 h ASP 29 Ca -0.02 -0.00 0.03 0.00 -0.39 0.00 0.00 57.03 56.65 1sj6 h ASP 29 Cb 0.16 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.11 1sj6 h ASP 29 CO 0.03 0.10 0.37 1.23 -1.61 0.00 0.00 179.24 179.35 1sj6 h GLY 30 N 0.15 0.73 2.00 -0.78 0.00 -0.97 0.60 103.07 104.80 1sj6 h GLY 30 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1sj6 h GLY 30 CO -0.01 0.22 0.00 0.28 0.00 0.00 0.00 176.54 177.03 1sj6 n LYS 31 N -4.47 0.00 -3.19 4.80 5.02 0.01 -4.89 118.16 115.44 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 0.13 -1.50 0.06 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 -1.51 -5.37 -2.62 1.97 5.12 0.20 -5.01 116.66 109.44 1sj6 n ARG 32 Ca 0.05 0.60 -0.28 0.00 -1.93 0.00 0.00 57.85 56.29 1sj6 n ARG 32 Cb 0.22 -4.93 -0.00 0.00 -1.16 0.00 0.00 32.46 26.59 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 -3.24 4.89 -0.47 0.55 1.01 -1.07 -4.99 121.20 117.87 1sj6 s ILE 33 Ca 0.26 0.26 0.03 0.00 0.00 0.00 0.00 60.65 61.21 1sj6 s ILE 33 Cb -0.11 -3.85 0.57 0.00 0.01 0.00 0.00 42.46 39.07 1sj6 s ILE 33 CO 0.52 -0.83 1.82 0.00 0.00 0.00 0.00 174.94 176.45 1sj6 n GLN 34 N -2.20 2.36 -1.70 2.79 3.00 -1.26 -4.90 117.38 115.48 1sj6 n GLN 34 Ca 0.01 -3.19 -0.33 0.00 -0.01 0.00 0.00 57.00 53.48 1sj6 n GLN 34 Cb 0.55 -2.15 0.05 0.00 0.00 0.00 0.00 30.24 28.70 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 -3.45 2.54 0.74 1.08 1.13 -1.26 -4.86 117.35 113.27 1sj6 s TYR 35 Ca 0.56 1.56 -0.05 0.00 -1.41 0.00 0.00 57.07 57.73 1sj6 s TYR 35 Cb 0.47 -3.21 0.11 0.00 -1.10 0.00 0.00 41.96 38.23 1sj6 s TYR 35 CO 0.05 -1.82 1.03 -1.14 -2.51 0.00 0.00 175.55 171.17 1sj6 s GLN 36 N -4.09 1.73 -0.39 -3.49 2.00 0.18 -5.00 119.66 110.60 1sj6 s GLN 36 Ca 0.68 -0.71 0.03 0.00 -2.00 0.00 0.00 55.36 53.36 1sj6 s GLN 36 Cb -0.22 -2.21 0.16 0.00 0.80 0.00 0.00 33.01 31.54 1sj6 s GLN 36 CO 0.42 -1.48 0.34 -1.17 -0.50 0.00 0.00 175.29 172.90 1sj6 s LEU 37 N -5.26 0.54 -1.30 3.68 0.20 -1.26 -2.87 118.68 112.41 1sj6 s LEU 37 Ca 0.65 -2.19 -0.18 0.00 0.69 0.00 0.00 54.13 53.10 1sj6 s LEU 37 Cb -0.07 0.10 0.06 0.00 -0.43 0.00 0.00 46.19 45.85 1sj6 s LEU 37 CO 0.45 -0.23 1.78 1.33 -0.29 0.00 0.00 176.35 179.39 1sj6 n VAL 38 N 3.70 3.79 -2.61 1.68 0.24 0.18 -4.88 118.33 120.43 1sj6 n VAL 38 Ca 0.17 -3.91 -0.43 0.00 -2.04 0.00 0.00 64.34 58.13 1sj6 n VAL 38 Cb 0.44 -2.36 -0.02 0.00 -1.47 0.00 0.00 33.84 30.44 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 4.30 7.01 0.00 -1.34 -1.08 -1.26 -3.26 116.67 121.05 1sj6 s ASP 39 Ca 0.54 1.33 0.22 0.00 -0.52 0.00 0.00 52.55 54.12 1sj6 s ASP 39 Cb 0.04 -2.54 1.06 0.00 -1.46 0.00 0.00 42.92 40.02 1sj6 s ASP 39 CO 0.07 -0.76 1.70 2.30 0.52 0.00 0.00 175.17 179.01 1sj6 n ILE 40 N 5.52 0.37 -1.54 4.11 -5.35 -1.01 -4.09 119.36 117.38 1sj6 n ILE 40 Ca 0.12 0.09 -0.36 0.00 -0.27 0.00 0.00 62.75 62.33 1sj6 n ILE 40 Cb 0.46 -0.73 -0.03 0.00 -1.74 0.00 0.00 39.64 37.60 1sj6 n ILE 40 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1sj6 n SER 41 N -1.35 8.10 0.15 7.28 7.64 -1.26 -3.89 113.62 130.29 1sj6 n SER 41 Ca 0.09 -2.80 0.00 0.00 1.01 0.00 0.00 58.87 57.17 1sj6 n SER 41 Cb 0.20 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 61.94 1sj6 n SER 41 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1sj6 n GLN 42 N 2.67 0.00 -4.15 1.43 0.00 -1.26 -4.58 117.38 111.49 1sj6 n GLN 42 Ca 0.68 0.00 -0.35 0.00 -0.00 0.00 0.00 57.00 57.34 1sj6 n GLN 42 Cb 0.31 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.43 1sj6 n GLN 42 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1sj6 s ASP 43 N -2.00 4.84 0.66 1.69 2.15 -1.25 -4.97 116.67 117.79 1sj6 s ASP 43 Ca 0.00 -0.17 0.42 0.00 0.43 0.00 0.00 52.55 53.23 1sj6 s ASP 43 Cb 0.00 -1.82 2.30 0.00 -0.30 0.00 0.00 42.92 43.11 1sj6 s ASP 43 CO 0.00 0.09 2.31 0.78 -0.17 0.00 0.00 175.17 178.18 1sj6 h ASN 44 N 7.27 0.00 -0.00 -0.34 4.21 -2.00 0.83 115.58 125.55 1sj6 h ASN 44 Ca -0.35 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.16 1sj6 h ASN 44 Cb 1.18 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 1sj6 h ASN 44 CO 0.62 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.76 1sj6 n ALA 45 N -2.07 2.68 -0.02 -0.83 0.00 -1.26 -3.22 120.51 115.78 1sj6 n ALA 45 Ca -0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 53.44 53.16 1sj6 n ALA 45 Cb 0.11 -1.48 -0.12 0.00 0.00 0.00 0.00 19.45 17.96 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 -0.88 0.51 -0.03 0.00 4.77 0.29 -3.39 117.00 118.26 1sj6 n LEU 46 Ca 0.23 0.23 -0.15 0.00 -0.03 0.00 0.00 56.01 56.29 1sj6 n LEU 46 Cb 0.13 0.20 -0.11 0.00 -2.33 0.00 0.00 43.42 41.31 1sj6 n LEU 46 CO 0.18 0.27 0.43 0.03 -1.33 0.00 0.00 177.39 176.97 1sj6 h ARG 47 N 0.00 0.13 -0.00 3.23 -0.00 -1.66 -2.31 114.38 113.77 1sj6 h ARG 47 Ca -0.27 -0.13 0.00 0.00 -0.50 0.00 0.00 59.98 59.08 1sj6 h ARG 47 Cb 1.77 0.03 0.00 0.00 0.00 0.00 0.00 29.97 31.77 1sj6 h ARG 47 CO 0.04 0.87 0.00 -3.47 0.00 0.00 0.00 179.97 177.41 1sj6 n ASP 48 N -4.57 0.36 -0.09 7.04 2.03 -1.24 -2.61 116.55 117.46 1sj6 n ASP 48 Ca -0.09 -1.12 -0.08 0.00 0.52 0.00 0.00 54.79 54.01 1sj6 n ASP 48 Cb 0.46 -0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.70 1sj6 n ASP 48 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1sj6 n GLU 49 N -0.72 0.77 0.05 -0.67 4.07 -1.22 -4.25 120.64 118.68 1sj6 n GLU 49 Ca 0.23 -0.03 -0.15 0.00 -0.06 0.00 0.00 57.16 57.15 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 0.20 -0.51 5.31 4.05 -1.38 -2.61 114.93 119.99 1sj6 h MET 50 Ca -0.49 -0.34 0.00 0.00 -0.28 0.00 0.00 59.70 58.59 1sj6 h MET 50 Cb 2.11 0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 33.01 1sj6 h MET 50 CO 0.03 1.05 0.34 0.00 0.23 0.00 0.00 176.91 178.55 1sj6 h ARG 51 N 0.05 0.68 0.01 0.39 -0.00 -1.72 0.15 114.38 113.94 1sj6 h ARG 51 Ca -0.22 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.98 59.10 1sj6 h ARG 51 Cb 1.99 -0.15 -0.02 0.00 0.00 0.00 0.00 29.97 31.79 1sj6 h ARG 51 CO 0.15 0.45 -0.64 0.00 0.00 0.00 0.00 179.97 179.93 1sj6 h ALA 52 N 1.67 0.13 -0.13 0.04 0.00 -1.74 -2.83 119.26 116.40 1sj6 h ALA 52 Ca 0.19 -0.85 0.04 0.00 0.00 0.00 0.00 54.91 54.28 1sj6 h ALA 52 Cb -0.07 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1sj6 h ALA 52 CO -0.04 0.36 0.11 -0.07 0.00 0.00 0.00 179.25 179.61 1sj6 h LEU 53 N -0.97 0.00 0.00 0.00 -0.00 -1.38 0.67 115.31 113.63 1sj6 h LEU 53 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 1sj6 h LEU 53 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 1sj6 h LEU 53 CO -0.10 0.00 -0.43 0.00 -0.00 0.00 0.00 178.44 177.92 1sj6 n ALA 54 N -2.49 3.19 -3.67 1.53 0.00 0.50 -4.27 120.51 115.31 1sj6 n ALA 54 Ca 0.00 -0.28 -0.22 0.00 0.00 0.00 0.00 53.44 52.95 1sj6 n ALA 54 Cb 0.23 -1.20 0.04 0.00 0.00 0.00 0.00 19.45 18.52 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 1.47 -0.33 3.15 0.00 0.00 0.22 -4.96 105.19 104.74 1sj6 n GLY 55 Ca 0.05 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.25 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 -4.21 -0.01 -0.11 1.61 2.47 -1.08 -5.03 114.94 108.58 1sj6 s ASN 56 Ca 0.10 0.01 0.03 0.00 0.42 0.00 0.00 52.86 53.42 1sj6 s ASN 56 Cb -0.05 1.01 0.25 0.00 -1.45 0.00 0.00 41.25 41.01 1sj6 s ASN 56 CO 0.80 -0.00 1.10 -0.81 -3.72 0.00 0.00 177.10 174.47 1sj6 n PRO 57 N 4.92 1.86 0.00 0.43 -0.05 -1.26 -3.31 135.00 137.59 1sj6 n PRO 57 Ca -0.08 -1.01 0.00 0.00 -0.05 0.00 0.00 63.50 62.36 1sj6 n PRO 57 Cb 0.56 -1.57 0.00 0.00 -0.05 0.00 0.00 33.50 32.43 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 0.09 -0.29 0.00 0.54 5.02 -1.26 -5.08 118.16 117.18 1sj6 n LYS 58 Ca 0.14 -0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 1sj6 n LYS 58 Cb 0.72 -0.77 0.00 0.00 -0.02 0.00 0.00 35.03 34.96 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 -2.57 7.82 0.00 -1.21 -5.08 120.51 119.44 1sj6 n ALA 59 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1sj6 n ALA 59 Cb 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.51 1sj6 n ALA 59 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1sj6 s THR 60 N -0.53 0.00 0.16 0.00 -4.23 -1.26 -5.07 115.64 104.70 1sj6 s THR 60 Ca 0.00 -1.78 -0.16 0.00 -1.18 0.00 0.00 61.69 58.57 1sj6 s THR 60 Cb 0.00 -2.39 0.05 0.00 1.34 0.00 0.00 72.50 71.51 1sj6 s THR 60 CO 0.00 0.00 1.71 -0.65 -0.54 0.00 0.00 174.62 175.14 1sj6 h PRO 61 N 2.48 0.13 -5.90 3.99 0.11 -1.89 -3.38 132.00 127.55 1sj6 h PRO 61 Ca -0.32 -0.01 -0.41 0.00 0.11 0.00 0.00 66.00 65.37 1sj6 h PRO 61 Cb 1.25 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 1sj6 h PRO 61 CO 0.46 0.09 1.05 -1.25 -0.21 0.00 0.00 178.00 178.14 1sj6 s PRO 62 N -6.17 2.76 -0.05 1.05 0.04 -1.22 -2.39 135.00 129.02 1sj6 s PRO 62 Ca -0.13 -0.12 -0.09 0.00 0.04 0.00 0.00 61.00 60.71 1sj6 s PRO 62 Cb 0.13 -4.82 0.02 0.00 0.04 0.00 0.00 34.50 29.87 1sj6 s PRO 62 CO 0.71 -2.94 0.21 -0.65 0.04 0.00 0.00 177.00 174.38 1sj6 s GLN 63 N 6.66 0.37 0.02 4.56 -1.52 -1.12 -3.22 119.66 125.41 1sj6 s GLN 63 Ca 0.63 0.08 -0.08 0.00 -1.95 0.00 0.00 55.36 54.04 1sj6 s GLN 63 Cb -0.08 0.17 -0.05 0.00 -0.22 0.00 0.00 33.01 32.83 1sj6 s GLN 63 CO 0.06 -0.07 0.30 0.42 -0.25 0.00 0.00 175.29 175.75 1sj6 s ILE 64 N -0.42 5.24 -0.05 1.08 1.09 0.52 0.42 121.20 129.09 1sj6 s ILE 64 Ca -0.05 0.27 -0.04 0.00 -1.10 0.00 0.00 60.65 59.73 1sj6 s ILE 64 Cb -0.03 -3.59 0.01 0.00 -1.06 0.00 0.00 42.46 37.79 1sj6 s ILE 64 CO 0.01 0.37 0.12 -0.69 -0.10 0.00 0.00 174.94 174.65 1sj6 s VAL 65 N -1.30 -0.00 -0.64 2.92 1.01 0.20 -1.32 120.40 121.27 1sj6 s VAL 65 Ca 0.28 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 1sj6 s VAL 65 Cb -0.13 -0.18 0.36 0.00 0.00 0.00 0.00 36.38 36.43 1sj6 s VAL 65 CO 0.16 0.00 2.09 -3.20 0.00 0.00 0.00 175.10 174.16 1sj6 n ASN 66 N 3.06 7.38 0.00 3.32 2.85 -1.18 -0.71 115.26 129.97 1sj6 n ASN 66 Ca -0.13 -3.64 0.00 0.00 -0.11 0.00 0.00 54.58 50.70 1sj6 n ASN 66 Cb 0.59 -1.03 0.00 0.00 1.24 0.00 0.00 39.78 40.57 1sj6 n ASN 66 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1sj6 n GLY 67 N -0.48 2.17 2.47 8.20 0.00 -1.26 -4.58 105.19 111.70 1sj6 n GLY 67 Ca 0.54 -0.68 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 2.00 1.78 -3.83 1.61 5.68 -1.26 -5.02 116.55 117.51 1sj6 n ASP 68 Ca 0.00 -2.22 -0.10 0.00 -0.50 0.00 0.00 54.79 51.98 1sj6 n ASP 68 Cb 0.00 -0.44 -0.06 0.00 -1.14 0.00 0.00 41.12 39.48 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 -3.09 1.10 -0.66 0.11 -0.21 -1.26 -5.09 119.66 110.57 1sj6 s GLN 69 Ca 0.31 -0.97 -0.28 0.00 0.02 0.00 0.00 55.36 54.44 1sj6 s GLN 69 Cb 0.34 0.41 0.03 0.00 1.00 0.00 0.00 33.01 34.79 1sj6 s GLN 69 CO -0.06 -0.41 1.25 -0.47 -2.12 0.00 0.00 175.29 173.48 1sj6 s TYR 70 N -3.89 2.43 -0.13 0.91 5.04 -1.26 -3.13 117.35 117.32 1sj6 s TYR 70 Ca 0.10 0.19 -0.23 0.00 -2.44 0.00 0.00 57.07 54.69 1sj6 s TYR 70 Cb 0.03 -4.57 -0.21 0.00 0.35 0.00 0.00 41.96 37.56 1sj6 s TYR 70 CO -0.06 -1.85 0.64 0.00 -1.34 0.00 0.00 175.55 172.94 1sj6 n GLY 72 N 1.59 0.64 0.00 0.00 0.00 -0.51 -4.94 105.19 101.97 1sj6 n GLY 72 Ca -0.08 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.01 0.14 -0.03 1.61 8.00 -1.26 -0.35 116.55 124.64 1sj6 n ASP 73 Ca 0.00 -0.61 -0.13 0.00 0.71 0.00 0.00 54.79 54.76 1sj6 n ASP 73 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 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 0.61 0.22 -0.17 1.24 5.03 -1.95 -2.78 116.97 119.17 1sj6 h TYR 74 Ca 0.00 -0.07 0.03 0.00 2.58 0.00 0.00 58.73 61.27 1sj6 h TYR 74 Cb 0.00 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.21 1sj6 h TYR 74 CO 0.00 0.62 -0.00 1.49 -1.32 0.00 0.00 178.16 178.94 1sj6 h GLU 75 N -0.24 0.05 0.17 1.82 4.22 -1.97 -1.11 114.58 117.52 1sj6 h GLU 75 Ca 0.01 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.44 1sj6 h GLU 75 Cb 0.58 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1sj6 h GLU 75 CO 0.02 0.03 -0.14 -0.07 -2.18 0.00 0.00 179.01 176.67 1sj6 h LEU 76 N 0.05 -0.38 -0.60 1.64 4.07 -1.96 0.93 115.31 119.06 1sj6 h LEU 76 Ca 0.08 0.03 0.11 0.00 0.08 0.00 0.00 57.88 58.18 1sj6 h LEU 76 Cb 0.10 0.12 -0.12 0.00 1.08 0.00 0.00 40.66 41.84 1sj6 h LEU 76 CO -0.14 -0.20 -0.27 0.15 -1.08 0.00 0.00 178.44 176.90 1sj6 h PHE 77 N -0.31 -0.71 -0.24 1.13 3.04 -1.51 0.17 116.94 118.51 1sj6 h PHE 77 Ca -0.02 0.07 -0.07 0.00 3.98 0.00 0.00 57.97 61.92 1sj6 h PHE 77 Cb 0.26 0.40 -0.01 0.00 2.56 0.00 0.00 35.95 39.16 1sj6 h PHE 77 CO -0.05 -0.35 -0.15 0.28 -2.02 0.00 0.00 178.31 176.01 1sj6 h VAL 78 N -0.11 1.23 0.00 1.41 2.07 -1.14 -1.97 116.25 117.73 1sj6 h VAL 78 Ca 0.26 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1sj6 h VAL 78 Cb 0.53 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1sj6 h VAL 78 CO -0.67 0.33 0.00 1.21 0.02 0.00 0.00 177.57 178.46 1sj6 n GLU 79 N -4.20 0.18 -0.09 1.57 2.13 0.32 -3.22 120.64 117.33 1sj6 n GLU 79 Ca 0.00 0.11 -0.12 0.00 0.66 0.00 0.00 57.16 57.81 1sj6 n GLU 79 Cb 0.33 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.49 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 0.78 -0.18 4.31 0.00 -0.25 -4.33 120.51 119.47 1sj6 n ALA 80 Ca 0.08 -0.70 0.26 0.00 0.00 0.00 0.00 53.44 53.08 1sj6 n ALA 80 Cb 0.20 -0.02 0.67 0.00 0.00 0.00 0.00 19.45 20.30 1sj6 n ALA 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sj6 h VAL 81 N -1.00 0.60 -0.32 0.00 2.07 -1.59 1.03 116.25 117.04 1sj6 h VAL 81 Ca -0.14 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.38 1sj6 h VAL 81 Cb 0.97 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1sj6 h VAL 81 CO -0.09 0.02 0.12 1.05 0.02 0.00 0.00 177.57 178.69 1sj6 h GLU 82 N 0.09 0.25 -0.66 1.57 4.11 -1.75 -2.41 114.58 115.78 1sj6 h GLU 82 Ca 0.42 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.83 1sj6 h GLU 82 Cb 1.52 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.72 1sj6 h GLU 82 CO -0.05 0.17 0.00 0.94 0.07 0.00 0.00 179.01 180.14 1sj6 n GLN 83 N -5.01 2.68 -1.16 1.06 7.27 -0.44 -4.91 117.38 116.87 1sj6 n GLN 83 Ca 0.00 -2.59 -0.05 0.00 0.07 0.00 0.00 57.00 54.43 1sj6 n GLN 83 Cb 0.11 -1.56 -0.02 0.00 2.41 0.00 0.00 30.24 31.17 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 1.63 -3.56 0.17 1.69 2.85 0.09 -4.90 115.26 113.24 1sj6 n ASN 84 Ca 0.24 0.12 0.12 0.00 -0.11 0.00 0.00 54.58 54.94 1sj6 n ASN 84 Cb 0.62 -1.52 0.18 0.00 1.24 0.00 0.00 39.78 40.30 1sj6 n ASN 84 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1sj6 h THR 85 N 0.00 0.00 -0.59 -0.44 2.02 0.73 -3.36 112.91 111.27 1sj6 h THR 85 Ca -0.10 -0.88 0.24 0.00 0.77 0.00 0.00 66.41 66.44 1sj6 h THR 85 Cb 0.34 1.75 -0.11 0.00 -1.74 0.00 0.00 68.15 68.39 1sj6 h THR 85 CO 0.15 0.00 0.29 -0.11 0.37 0.00 0.00 175.52 176.22 1sj6 n LEU 86 N -2.81 0.18 0.18 2.58 7.94 -1.01 0.11 117.00 124.18 1sj6 n LEU 86 Ca 0.03 0.98 -0.14 0.00 -1.11 0.00 0.00 56.01 55.77 1sj6 n LEU 86 Cb 0.51 -0.47 -0.07 0.00 0.53 0.00 0.00 43.42 43.92 1sj6 n LEU 86 CO 0.35 -1.09 0.65 -0.61 -1.11 0.00 0.00 177.39 175.58 1sj6 h GLN 87 N 0.00 -0.61 -0.70 1.96 4.15 -1.91 0.80 115.11 118.81 1sj6 h GLN 87 Ca 0.49 0.04 0.20 0.00 0.77 0.00 0.00 58.65 60.15 1sj6 h GLN 87 Cb 1.28 0.14 -0.03 0.00 0.21 0.00 0.00 27.48 29.08 1sj6 h GLN 87 CO -0.46 -0.41 0.81 1.49 -1.93 0.00 0.00 178.83 178.33 1sj6 h GLU 88 N -0.63 0.00 0.00 1.69 4.81 0.52 1.45 114.58 122.42 1sj6 h GLU 88 Ca -0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1sj6 h GLU 88 Cb 0.60 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 1sj6 h GLU 88 CO -0.10 0.00 -2.14 0.34 -0.73 0.00 0.00 179.01 176.39 1sj6 n PHE 89 N -3.47 0.00 -0.02 0.92 -0.00 -0.25 -3.89 117.46 110.75 1sj6 n PHE 89 Ca 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.57 1sj6 n PHE 89 Cb 1.04 -0.68 -0.01 0.00 -0.00 0.00 0.00 39.48 39.83 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 -2.44 0.54 -0.66 -2.13 4.77 0.28 -4.73 117.00 112.64 1sj6 n LEU 90 Ca -0.15 0.09 0.12 0.00 -0.03 0.00 0.00 56.01 56.05 1sj6 n LEU 90 Cb 0.79 -0.56 0.19 0.00 -2.33 0.00 0.00 43.42 41.51 1sj6 n LEU 90 CO 0.44 -0.44 0.60 0.29 -1.33 0.00 0.00 177.39 176.96 1sj6 n LYS 91 N -3.05 1.73 -1.97 3.23 5.02 0.21 -4.94 118.16 118.39 1sj6 n LYS 91 Ca -0.04 -1.32 -0.10 0.00 -2.02 0.00 0.00 58.31 54.82 1sj6 n LYS 91 Cb 0.14 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.66 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 0.52 -0.87 -3.31 -0.35 7.99 0.42 -0.30 117.00 121.10 1sj6 n LEU 92 Ca 0.14 0.25 -0.24 0.00 -0.01 0.00 0.00 56.01 56.15 1sj6 n LEU 92 Cb 0.49 -1.84 0.04 0.00 -0.11 0.00 0.00 43.42 42.00 1sj6 n LEU 92 CO 0.20 -0.29 0.08 0.00 -1.51 0.00 0.00 177.39 175.87 1sj6 n ALA 93 N -1.25 -1.11 -2.33 -1.18 0.00 -1.25 -1.12 120.51 112.26 1sj6 n ALA 93 Ca -0.11 0.29 -0.20 0.00 0.00 0.00 0.00 53.44 53.42 1sj6 n ALA 93 Cb 0.49 -4.31 -0.01 0.00 0.00 0.00 0.00 19.45 15.61 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 -4.35 -1.87 -0.69 0.00 0.00 0.58 -5.11 117.00 105.56 1sj6 n LEU 94 Ca -0.05 0.01 0.09 0.00 0.00 0.00 0.00 56.01 56.05 1sj6 n LEU 94 Cb 0.59 -2.78 0.07 0.00 0.00 0.00 0.00 43.42 41.29 1sj6 n LEU 94 CO 0.56 -0.25 0.53 1.21 0.00 0.00 0.00 177.39 179.44