#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 6.47 0.09 7.83 0.01 -1.26 -5.11 113.70 121.74 1sj6 s SER 2 Ca 0.00 0.67 0.02 0.00 1.31 0.00 0.00 55.95 57.95 1sj6 s SER 2 Cb 0.00 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 64.06 1sj6 s SER 2 CO 0.00 -0.11 -0.07 -0.83 0.41 0.00 0.00 173.24 172.65 1sj6 s GLY 3 N -2.91 0.75 -0.13 3.44 0.00 -1.26 -5.11 107.32 102.11 1sj6 s GLY 3 Ca 0.43 -1.31 -0.00 0.00 0.00 0.00 0.00 44.72 43.84 1sj6 s GLY 3 CO 0.27 -1.41 -0.11 -2.27 0.00 0.00 0.00 173.10 169.58 1sj6 s LEU 4 N -2.94 2.82 -0.27 0.66 0.20 -1.26 -2.81 118.68 115.07 1sj6 s LEU 4 Ca 0.10 -0.27 0.02 0.00 0.69 0.00 0.00 54.13 54.66 1sj6 s LEU 4 Cb 0.04 -1.64 0.07 0.00 -0.43 0.00 0.00 46.19 44.24 1sj6 s LEU 4 CO -0.04 0.19 -0.02 0.00 -0.29 0.00 0.00 176.35 176.18 1sj6 s ARG 5 N 0.23 1.56 -0.05 1.98 1.70 -0.26 -3.40 118.95 120.71 1sj6 s ARG 5 Ca -0.08 -1.25 -0.16 0.00 -0.47 0.00 0.00 55.73 53.77 1sj6 s ARG 5 Cb -0.15 -2.69 -0.05 0.00 -0.57 0.00 0.00 34.95 31.49 1sj6 s ARG 5 CO 0.05 -0.72 0.43 0.08 -1.08 0.00 0.00 175.30 174.06 1sj6 s VAL 6 N 1.27 5.09 0.15 4.99 1.01 -1.22 -1.75 120.40 129.93 1sj6 s VAL 6 Ca -0.01 0.88 -0.11 0.00 0.00 0.00 0.00 61.98 62.75 1sj6 s VAL 6 Cb -0.19 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 1sj6 s VAL 6 CO -0.09 0.47 0.49 -0.31 0.00 0.00 0.00 175.10 175.67 1sj6 s TYR 7 N -0.35 3.53 0.31 5.22 2.02 0.28 0.95 117.35 129.32 1sj6 s TYR 7 Ca 0.24 0.88 -0.17 0.00 -0.37 0.00 0.00 57.07 57.65 1sj6 s TYR 7 Cb -0.16 -2.24 0.02 0.00 -0.40 0.00 0.00 41.96 39.18 1sj6 s TYR 7 CO 0.12 0.40 0.69 0.45 -1.57 0.00 0.00 175.55 175.64 1sj6 s SER 8 N -2.00 -0.08 -0.36 2.29 0.15 -0.90 -2.05 113.70 110.76 1sj6 s SER 8 Ca 0.40 -0.87 0.01 0.00 0.70 0.00 0.00 55.95 56.19 1sj6 s SER 8 Cb -0.13 0.74 0.10 0.00 -1.71 0.00 0.00 66.02 65.01 1sj6 s SER 8 CO 0.20 -1.41 0.09 0.28 1.20 0.00 0.00 173.24 173.60 1sj6 s THR 9 N -3.42 2.70 0.51 6.45 -1.32 -1.26 -2.07 115.64 117.22 1sj6 s THR 9 Ca 0.15 -2.13 0.20 0.00 -1.21 0.00 0.00 61.69 58.70 1sj6 s THR 9 Cb -0.05 -2.88 0.34 0.00 -1.51 0.00 0.00 72.50 68.41 1sj6 s THR 9 CO 0.09 -0.57 2.04 0.28 -2.21 0.00 0.00 174.62 174.26 1sj6 h SER 10 N 7.81 0.07 -3.25 8.08 0.02 -1.91 -3.38 113.55 120.99 1sj6 h SER 10 Ca -0.09 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.39 1sj6 h SER 10 Cb 1.03 -0.01 -0.39 0.00 0.14 0.00 0.00 62.40 63.18 1sj6 h SER 10 CO 0.58 0.04 -0.77 -0.69 -1.14 0.00 0.00 176.83 174.86 1sj6 s VAL 11 N -5.10 0.45 0.05 2.27 1.01 -1.26 -5.12 120.40 112.70 1sj6 s VAL 11 Ca -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1sj6 s VAL 11 Cb 0.19 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 1sj6 s VAL 11 CO 0.71 0.14 -0.03 0.28 0.00 0.00 0.00 175.10 176.21 1sj6 s THR 12 N 1.93 0.22 -0.25 3.92 -1.32 -1.26 -4.97 115.64 113.90 1sj6 s THR 12 Ca 0.03 -1.70 0.11 0.00 -1.21 0.00 0.00 61.69 58.92 1sj6 s THR 12 Cb -0.14 -1.37 0.47 0.00 -1.51 0.00 0.00 72.50 69.96 1sj6 s THR 12 CO -0.06 -0.94 1.38 0.61 -2.21 0.00 0.00 174.62 173.40 1sj6 n GLY 13 N 0.29 4.90 3.78 6.08 0.00 -1.26 -5.02 105.19 113.97 1sj6 n GLY 13 Ca -0.15 -1.23 -0.23 0.00 0.00 0.00 0.00 46.02 44.41 1sj6 n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sj6 s SER 14 N -2.70 4.77 -0.01 1.61 0.01 -1.26 -5.04 113.70 111.09 1sj6 s SER 14 Ca 0.42 -0.82 0.09 0.00 1.31 0.00 0.00 55.95 56.95 1sj6 s SER 14 Cb 0.39 -0.65 -0.12 0.00 0.21 0.00 0.00 66.02 65.85 1sj6 s SER 14 CO -0.01 -0.46 0.30 0.54 0.41 0.00 0.00 173.24 174.01 1sj6 n ARG 15 N -1.30 2.40 -0.11 12.44 3.00 -1.26 -4.34 116.66 127.49 1sj6 n ARG 15 Ca -0.01 -0.04 -0.13 0.00 -0.01 0.00 0.00 57.85 57.67 1sj6 n ARG 15 Cb 0.62 -1.05 -0.14 0.00 0.00 0.00 0.00 32.46 31.89 1sj6 n ARG 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1sj6 n GLU 16 N -1.48 0.70 0.06 5.56 1.02 -1.26 -4.32 120.64 120.92 1sj6 n GLU 16 Ca 0.00 0.05 -0.03 0.00 -0.02 0.00 0.00 57.16 57.16 1sj6 n GLU 16 Cb 0.18 -1.51 0.20 0.00 -0.02 0.00 0.00 31.44 30.28 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 1.30 -0.08 -3.67 2.04 -2.00 -2.81 117.51 112.30 1sj6 h ILE 17 Ca -0.55 -1.51 -0.05 0.00 1.00 0.00 0.00 64.86 63.75 1sj6 h ILE 17 Cb 2.11 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 39.81 1sj6 h ILE 17 CO -0.01 0.46 -0.18 0.11 0.00 0.00 0.00 178.15 178.52 1sj6 h LYS 18 N 0.28 0.12 0.00 2.37 1.57 -1.76 -2.20 116.57 116.94 1sj6 h LYS 18 Ca 0.03 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1sj6 h LYS 18 Cb 0.82 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1sj6 h LYS 18 CO 0.07 0.31 -0.65 1.03 -0.57 0.00 0.00 179.45 179.64 1sj6 h SER 19 N 0.11 0.00 0.56 0.86 0.87 -1.69 -2.50 113.55 111.76 1sj6 h SER 19 Ca 0.02 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 1sj6 h SER 19 Cb 0.39 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1sj6 h SER 19 CO 0.03 0.65 -0.27 1.56 -0.53 0.00 0.00 176.83 178.26 1sj6 h GLN 20 N 0.00 -0.72 -0.04 2.24 1.08 -1.31 -0.92 115.11 115.43 1sj6 h GLN 20 Ca -0.01 0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1sj6 h GLN 20 Cb 1.20 0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 28.79 1sj6 h GLN 20 CO 0.08 -0.48 0.03 -0.56 -0.95 0.00 0.00 178.83 176.95 1sj6 h GLN 21 N -0.99 0.01 0.29 1.46 3.07 -1.63 -1.61 115.11 115.71 1sj6 h GLN 21 Ca -0.08 -0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.65 1sj6 h GLN 21 Cb 0.58 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.13 1sj6 h GLN 21 CO 0.13 0.01 -0.14 1.03 0.09 0.00 0.00 178.83 179.95 1sj6 h SER 22 N 0.01 -0.33 -0.29 0.06 0.87 -1.41 -1.58 113.55 110.89 1sj6 h SER 22 Ca 0.02 -0.20 0.02 0.00 -1.23 0.00 0.00 61.79 60.40 1sj6 h SER 22 Cb 0.06 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1sj6 h SER 22 CO -0.00 0.06 0.14 -0.08 -0.53 0.00 0.00 176.83 176.42 1sj6 h GLU 23 N -0.77 0.29 -0.29 2.24 4.57 -0.86 0.43 114.58 120.19 1sj6 h GLU 23 Ca -0.04 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1sj6 h GLU 23 Cb 0.50 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 1sj6 h GLU 23 CO 0.06 0.19 0.10 0.28 -1.18 0.00 0.00 179.01 178.47 1sj6 h VAL 24 N 0.30 0.92 0.00 0.32 2.07 -1.36 -1.91 116.25 116.60 1sj6 h VAL 24 Ca 0.12 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 1sj6 h VAL 24 Cb 0.04 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1sj6 h VAL 24 CO -0.09 0.04 -0.42 0.71 0.02 0.00 0.00 177.57 177.83 1sj6 h THR 25 N 0.23 1.08 -0.12 2.57 1.35 -1.00 -2.82 112.91 114.20 1sj6 h THR 25 Ca 0.13 -1.57 0.03 0.00 -0.55 0.00 0.00 66.41 64.45 1sj6 h THR 25 Cb 0.10 1.90 -0.03 0.00 -1.73 0.00 0.00 68.15 68.39 1sj6 h THR 25 CO -0.13 0.41 -0.06 -0.09 -0.25 0.00 0.00 175.52 175.40 1sj6 h ARG 26 N 0.00 -0.04 -0.28 4.72 2.43 0.66 0.67 114.38 122.54 1sj6 h ARG 26 Ca -0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 1sj6 h ARG 26 Cb 0.87 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1sj6 h ARG 26 CO 0.05 -0.03 -0.40 0.82 -1.51 0.00 0.00 179.97 178.91 1sj6 h ILE 27 N -0.05 1.30 -0.31 1.20 2.04 -1.49 -1.23 117.51 118.97 1sj6 h ILE 27 Ca 0.07 -1.58 -0.02 0.00 1.00 0.00 0.00 64.86 64.33 1sj6 h ILE 27 Cb 0.14 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1sj6 h ILE 27 CO -0.15 0.51 0.13 -0.07 0.00 0.00 0.00 178.15 178.57 1sj6 h LEU 28 N 0.52 0.42 0.37 1.44 3.38 -1.25 0.12 115.31 120.32 1sj6 h LEU 28 Ca 0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1sj6 h LEU 28 Cb 0.99 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1sj6 h LEU 28 CO 0.09 0.46 -0.18 0.44 0.09 0.00 0.00 178.44 179.34 1sj6 h ASP 29 N 0.35 -0.43 -0.18 -0.43 3.32 0.34 -2.81 116.42 116.59 1sj6 h ASP 29 Ca 0.10 -0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.08 1sj6 h ASP 29 Cb 0.17 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1sj6 h ASP 29 CO -0.01 -0.12 0.13 1.23 -1.72 0.00 0.00 179.24 178.75 1sj6 h GLY 30 N -0.75 0.05 2.00 2.75 0.00 -1.21 0.16 103.07 106.06 1sj6 h GLY 30 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1sj6 h GLY 30 CO 0.08 0.01 0.00 0.28 0.00 0.00 0.00 176.54 176.92 1sj6 n LYS 31 N -4.49 0.02 -3.37 4.80 5.02 0.42 -4.89 118.16 115.67 1sj6 n LYS 31 Ca 0.01 0.21 -0.18 0.00 -2.02 0.00 0.00 58.31 56.33 1sj6 n LYS 31 Cb 0.23 -1.54 0.08 0.00 -0.02 0.00 0.00 35.03 33.78 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 -1.59 -6.49 -2.38 1.97 1.74 0.55 -4.99 116.66 105.47 1sj6 n ARG 32 Ca 0.04 0.76 -0.29 0.00 -0.77 0.00 0.00 57.85 57.59 1sj6 n ARG 32 Cb 0.22 -5.54 -0.00 0.00 -1.02 0.00 0.00 32.46 26.12 1sj6 n ARG 32 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1sj6 s ILE 33 N -3.31 4.81 -0.47 0.55 1.01 -1.08 -5.00 121.20 117.71 1sj6 s ILE 33 Ca 0.22 0.51 0.03 0.00 0.00 0.00 0.00 60.65 61.42 1sj6 s ILE 33 Cb -0.10 -3.85 0.45 0.00 0.01 0.00 0.00 42.46 38.97 1sj6 s ILE 33 CO 0.66 -0.92 1.54 0.00 0.00 0.00 0.00 174.94 176.22 1sj6 n GLN 34 N -2.31 3.22 -2.97 2.79 6.02 -1.26 -4.96 117.38 117.91 1sj6 n GLN 34 Ca 0.03 -3.83 -0.23 0.00 -0.01 0.00 0.00 57.00 52.96 1sj6 n GLN 34 Cb 0.55 -2.28 0.01 0.00 1.02 0.00 0.00 30.24 29.54 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 -3.71 3.22 0.58 1.08 1.13 -1.26 -5.02 117.35 113.38 1sj6 s TYR 35 Ca 0.56 0.24 0.09 0.00 -1.41 0.00 0.00 57.07 56.55 1sj6 s TYR 35 Cb 0.45 -2.32 0.09 0.00 -1.10 0.00 0.00 41.96 39.07 1sj6 s TYR 35 CO -0.02 -0.37 0.78 1.14 -2.51 0.00 0.00 175.55 174.57 1sj6 s GLN 36 N -4.56 2.26 -0.27 -3.49 0.00 -1.22 -5.07 119.66 107.31 1sj6 s GLN 36 Ca 0.48 -1.71 -0.04 0.00 -0.00 0.00 0.00 55.36 54.10 1sj6 s GLN 36 Cb -0.10 -2.60 0.09 0.00 0.00 0.00 0.00 33.01 30.41 1sj6 s GLN 36 CO 0.38 -0.89 0.12 -1.17 0.00 0.00 0.00 175.29 173.73 1sj6 s LEU 37 N -4.66 0.50 -1.30 2.60 2.96 -1.26 -3.45 118.68 114.07 1sj6 s LEU 37 Ca 0.60 -1.16 -0.18 0.00 -0.22 0.00 0.00 54.13 53.17 1sj6 s LEU 37 Cb -0.05 -0.33 0.07 0.00 0.50 0.00 0.00 46.19 46.38 1sj6 s LEU 37 CO 0.38 -0.42 1.75 1.33 -1.32 0.00 0.00 176.35 178.06 1sj6 n VAL 38 N 5.26 3.91 -2.55 1.68 0.24 0.27 -4.90 118.33 122.23 1sj6 n VAL 38 Ca -0.06 -4.06 -0.43 0.00 -2.04 0.00 0.00 64.34 57.74 1sj6 n VAL 38 Cb 0.43 -2.35 -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 -1.81 -2.14 0.00 0.00 176.83 172.88 1sj6 s ASP 39 N 4.27 6.63 0.51 -1.34 1.11 -1.26 -3.25 116.67 123.34 1sj6 s ASP 39 Ca 0.54 0.65 0.34 0.00 0.18 0.00 0.00 52.55 54.26 1sj6 s ASP 39 Cb 0.04 -2.55 1.57 0.00 1.07 0.00 0.00 42.92 43.05 1sj6 s ASP 39 CO 0.08 -1.22 2.01 0.16 1.18 0.00 0.00 175.17 177.38 1sj6 h ILE 40 N 6.19 0.00 -0.03 0.77 3.07 -1.74 -2.62 117.51 123.15 1sj6 h ILE 40 Ca -0.24 -0.29 0.01 0.00 1.55 0.00 0.00 64.86 65.89 1sj6 h ILE 40 Cb 1.07 1.20 -0.00 0.00 -0.27 0.00 0.00 36.82 38.82 1sj6 h ILE 40 CO 1.10 0.00 0.03 -1.28 -1.05 0.00 0.00 178.15 176.95 1sj6 h SER 41 N 0.00 0.00 0.26 2.16 0.87 -1.90 -3.05 113.55 111.89 1sj6 h SER 41 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1sj6 h SER 41 Cb 0.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1sj6 h SER 41 CO 0.00 0.00 -0.14 -0.61 -0.53 0.00 0.00 176.83 175.55 1sj6 h GLN 42 N 0.00 -0.36 -6.26 2.24 4.15 -1.81 -3.45 115.11 109.62 1sj6 h GLN 42 Ca 0.01 0.02 -0.64 0.00 0.77 0.00 0.00 58.65 58.82 1sj6 h GLN 42 Cb 0.07 0.08 -0.10 0.00 0.21 0.00 0.00 27.48 27.74 1sj6 h GLN 42 CO -0.00 -0.24 -0.63 0.34 -1.93 0.00 0.00 178.83 176.37 1sj6 s ASP 43 N -2.63 5.28 0.48 -0.69 -1.08 -1.15 -5.01 116.67 111.88 1sj6 s ASP 43 Ca -0.06 -0.11 0.29 0.00 -0.52 0.00 0.00 52.55 52.16 1sj6 s ASP 43 Cb 0.01 -1.34 0.98 0.00 -1.46 0.00 0.00 42.92 41.11 1sj6 s ASP 43 CO 0.17 0.16 1.84 0.78 0.52 0.00 0.00 175.17 178.64 1sj6 h ASN 44 N 3.26 0.00 0.07 -0.34 2.35 -1.86 -3.11 115.58 115.94 1sj6 h ASN 44 Ca -0.47 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.07 1sj6 h ASN 44 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.54 1sj6 h ASN 44 CO 0.63 0.00 -0.78 0.00 -1.65 0.00 0.00 177.43 175.62 1sj6 h ALA 45 N 2.04 0.43 -0.23 -0.83 0.00 -1.95 -3.10 119.26 115.61 1sj6 h ALA 45 Ca 0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 1sj6 h ALA 45 Cb 0.68 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1sj6 h ALA 45 CO 0.00 0.73 0.13 -0.07 0.00 0.00 0.00 179.25 180.04 1sj6 h LEU 46 N 0.40 0.27 0.08 0.00 3.38 -1.79 0.18 115.31 117.83 1sj6 h LEU 46 Ca -0.05 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1sj6 h LEU 46 Cb 1.39 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1sj6 h LEU 46 CO 0.15 0.22 -0.04 0.03 0.09 0.00 0.00 178.44 178.89 1sj6 h ARG 47 N 0.32 -0.10 -0.01 1.13 3.08 -1.63 0.14 114.38 117.31 1sj6 h ARG 47 Ca 0.09 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1sj6 h ARG 47 Cb -0.00 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1sj6 h ARG 47 CO -0.02 0.11 0.00 -3.47 -1.07 0.00 0.00 179.97 175.53 1sj6 n ASP 48 N -5.04 0.53 -0.09 7.04 2.03 -0.98 -2.61 116.55 117.44 1sj6 n ASP 48 Ca -0.08 -1.22 -0.08 0.00 0.52 0.00 0.00 54.79 53.94 1sj6 n ASP 48 Cb 0.15 -0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.38 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 -0.56 0.71 0.04 -0.67 2.13 0.59 -4.20 120.64 118.67 1sj6 n GLU 49 Ca 0.21 -0.03 -0.17 0.00 0.66 0.00 0.00 57.16 57.84 1sj6 n GLU 49 Cb 0.19 -1.52 -0.14 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 0.22 -0.13 5.31 4.05 -0.73 -2.84 114.93 120.82 1sj6 h MET 50 Ca -0.48 -0.37 -0.01 0.00 -0.28 0.00 0.00 59.70 58.56 1sj6 h MET 50 Cb 2.10 0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 33.03 1sj6 h MET 50 CO 0.03 1.04 0.04 0.00 0.23 0.00 0.00 176.91 178.25 1sj6 h ARG 51 N 0.06 0.17 0.09 0.39 -0.00 -1.72 -0.78 114.38 112.59 1sj6 h ARG 51 Ca -0.29 -0.02 -0.25 0.00 -0.50 0.00 0.00 59.98 58.93 1sj6 h ARG 51 Cb 2.02 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 31.95 1sj6 h ARG 51 CO 0.13 0.16 -1.29 0.00 0.00 0.00 0.00 179.97 178.97 1sj6 h ALA 52 N 1.87 0.18 -0.07 0.04 0.00 -1.73 -1.25 119.26 118.30 1sj6 h ALA 52 Ca 0.05 -1.07 0.02 0.00 0.00 0.00 0.00 54.91 53.91 1sj6 h ALA 52 Cb 0.06 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1sj6 h ALA 52 CO -0.00 0.76 0.05 -0.07 0.00 0.00 0.00 179.25 179.99 1sj6 h LEU 53 N -0.45 0.00 -1.49 0.00 3.38 -1.32 0.75 115.31 116.18 1sj6 h LEU 53 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1sj6 h LEU 53 Cb 1.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.39 1sj6 h LEU 53 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1sj6 n ALA 54 N -2.54 2.44 -3.87 1.53 0.00 -0.31 -4.66 120.51 113.09 1sj6 n ALA 54 Ca -0.01 -0.71 -0.25 0.00 0.00 0.00 0.00 53.44 52.47 1sj6 n ALA 54 Cb 0.16 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 1.16 -0.30 0.00 0.00 0.00 0.26 -4.94 105.19 101.37 1sj6 n GLY 55 Ca 0.14 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1sj6 n GLY 55 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sj6 n ASN 56 N -2.97 0.00 -1.17 1.61 5.15 -0.48 -5.03 115.26 112.38 1sj6 n ASN 56 Ca -0.23 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.73 1sj6 n ASN 56 Cb 0.65 0.00 0.11 0.00 -0.53 0.00 0.00 39.78 40.01 1sj6 n ASN 56 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1sj6 n PRO 57 N 0.00 1.98 0.00 1.20 -0.05 -1.19 -3.37 135.00 133.57 1sj6 n PRO 57 Ca 0.00 -1.08 0.00 0.00 -0.05 0.00 0.00 63.50 62.37 1sj6 n PRO 57 Cb 0.00 -1.62 0.00 0.00 -0.05 0.00 0.00 33.50 31.83 1sj6 n PRO 57 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 175.50 176.62 1sj6 n LYS 58 N 0.10 0.40 0.00 0.54 4.81 -1.26 -5.05 118.16 117.70 1sj6 n LYS 58 Ca 0.14 -0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.04 1sj6 n LYS 58 Cb 0.72 -0.69 0.00 0.00 0.02 0.00 0.00 35.03 35.08 1sj6 n LYS 58 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sj6 n ALA 59 N -0.10 0.00 -2.26 3.14 0.00 -1.22 -5.07 120.51 115.00 1sj6 n ALA 59 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1sj6 n ALA 59 Cb 0.29 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.54 1.08 0.21 0.00 -4.23 -1.26 -5.06 115.64 105.83 1sj6 s THR 60 Ca 0.00 -2.04 -0.12 0.00 -1.18 0.00 0.00 61.69 58.34 1sj6 s THR 60 Cb 0.00 -1.98 0.19 0.00 1.34 0.00 0.00 72.50 72.06 1sj6 s THR 60 CO 0.00 -0.64 1.65 -0.65 -0.54 0.00 0.00 174.62 174.45 1sj6 h PRO 61 N 2.71 0.07 -5.54 3.99 0.11 -1.90 -3.34 132.00 128.10 1sj6 h PRO 61 Ca -0.37 -0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.51 1sj6 h PRO 61 Cb 1.20 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1sj6 h PRO 61 CO 0.64 0.05 0.63 -1.25 -0.21 0.00 0.00 178.00 177.86 1sj6 s PRO 62 N -6.18 2.26 -0.06 1.05 0.04 -1.22 -2.11 135.00 128.78 1sj6 s PRO 62 Ca -0.14 -0.38 -0.02 0.00 0.04 0.00 0.00 61.00 60.50 1sj6 s PRO 62 Cb 0.18 -5.05 0.03 0.00 0.04 0.00 0.00 34.50 29.70 1sj6 s PRO 62 CO 0.73 -3.89 0.03 -0.65 0.04 0.00 0.00 177.00 173.26 1sj6 s GLN 63 N 7.32 0.23 0.52 4.56 -1.52 -0.87 -3.12 119.66 126.78 1sj6 s GLN 63 Ca 0.74 0.24 -0.11 0.00 -1.95 0.00 0.00 55.36 54.28 1sj6 s GLN 63 Cb -0.06 -0.76 -0.05 0.00 -0.22 0.00 0.00 33.01 31.91 1sj6 s GLN 63 CO 0.06 -0.33 0.92 0.42 -0.25 0.00 0.00 175.29 176.10 1sj6 s ILE 64 N 2.08 4.72 -0.19 1.08 1.09 -0.89 0.10 121.20 129.19 1sj6 s ILE 64 Ca 0.05 0.78 -0.17 0.00 -1.10 0.00 0.00 60.65 60.20 1sj6 s ILE 64 Cb -0.12 -3.80 0.05 0.00 -1.06 0.00 0.00 42.46 37.52 1sj6 s ILE 64 CO -0.04 -0.84 0.50 -0.69 -0.10 0.00 0.00 174.94 173.77 1sj6 s VAL 65 N -2.78 -0.00 -1.00 2.92 1.01 -0.72 -2.92 120.40 116.91 1sj6 s VAL 65 Ca 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 1sj6 s VAL 65 Cb -0.10 -0.70 0.25 0.00 0.00 0.00 0.00 36.38 35.83 1sj6 s VAL 65 CO 0.42 0.00 0.98 0.59 0.00 0.00 0.00 175.10 177.09 1sj6 n ASN 66 N 2.82 4.93 0.00 3.32 4.13 -1.18 -1.11 115.26 128.17 1sj6 n ASN 66 Ca -0.13 -3.13 0.00 0.00 1.68 0.00 0.00 54.58 53.00 1sj6 n ASN 66 Cb 0.57 -1.19 0.00 0.00 -1.54 0.00 0.00 39.78 37.61 1sj6 n ASN 66 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1sj6 n GLY 67 N 2.32 2.00 2.78 7.41 0.00 -1.12 -3.90 105.19 114.68 1sj6 n GLY 67 Ca 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 1sj6 n GLY 67 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sj6 n ASP 68 N 4.64 0.74 -4.01 1.61 2.03 -1.26 -4.96 116.55 115.35 1sj6 n ASP 68 Ca 0.00 -2.13 -0.09 0.00 0.52 0.00 0.00 54.79 53.09 1sj6 n ASP 68 Cb 0.00 -0.17 -0.09 0.00 -0.72 0.00 0.00 41.12 40.15 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 -2.71 0.85 -0.68 -0.67 -0.21 -1.25 -5.10 119.66 109.88 1sj6 s GLN 69 Ca 0.23 -1.18 -0.27 0.00 0.02 0.00 0.00 55.36 54.15 1sj6 s GLN 69 Cb 0.36 0.29 0.03 0.00 1.00 0.00 0.00 33.01 34.69 1sj6 s GLN 69 CO -0.06 -0.25 1.26 -0.47 -2.12 0.00 0.00 175.29 173.66 1sj6 s TYR 70 N -3.94 2.38 -0.12 0.91 5.04 -1.26 -3.12 117.35 117.24 1sj6 s TYR 70 Ca 0.12 0.14 -0.21 0.00 -2.44 0.00 0.00 57.07 54.68 1sj6 s TYR 70 Cb 0.06 -4.58 -0.19 0.00 0.35 0.00 0.00 41.96 37.61 1sj6 s TYR 70 CO -0.06 -1.91 0.58 0.00 -1.34 0.00 0.00 175.55 172.82 1sj6 n GLY 72 N 1.58 -0.73 0.00 0.00 0.00 -1.15 -4.98 105.19 99.91 1sj6 n GLY 72 Ca -0.07 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.10 116.55 120.52 1sj6 n ASP 73 Ca 0.00 -0.45 -0.11 0.00 -0.50 0.00 0.00 54.79 53.73 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 0.45 -0.48 -0.01 2.11 5.03 -1.94 -0.91 116.97 121.22 1sj6 h TYR 74 Ca 0.00 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.34 1sj6 h TYR 74 Cb 0.00 0.22 -0.04 0.00 1.55 0.00 0.00 36.73 38.46 1sj6 h TYR 74 CO 0.00 -0.26 -0.40 1.49 -1.32 0.00 0.00 178.16 177.67 1sj6 h GLU 75 N -0.28 -0.47 0.19 1.82 4.22 -1.97 0.31 114.58 118.40 1sj6 h GLU 75 Ca 0.07 0.03 0.01 0.00 0.08 0.00 0.00 59.36 59.55 1sj6 h GLU 75 Cb 0.37 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 1sj6 h GLU 75 CO -0.20 -0.31 -0.45 -0.07 -2.18 0.00 0.00 179.01 175.80 1sj6 h LEU 76 N -0.49 -1.31 -0.40 1.64 4.07 -1.94 0.70 115.31 117.58 1sj6 h LEU 76 Ca 0.01 0.14 0.08 0.00 0.08 0.00 0.00 57.88 58.19 1sj6 h LEU 76 Cb 0.53 0.48 -0.09 0.00 1.08 0.00 0.00 40.66 42.66 1sj6 h LEU 76 CO -0.27 -0.53 -0.27 0.15 -1.08 0.00 0.00 178.44 176.44 1sj6 h PHE 77 N -0.73 -0.71 -0.19 1.13 3.04 -0.99 0.10 116.94 118.59 1sj6 h PHE 77 Ca 0.00 0.05 -0.06 0.00 3.98 0.00 0.00 57.97 61.95 1sj6 h PHE 77 Cb 0.72 0.37 -0.01 0.00 2.56 0.00 0.00 35.95 39.59 1sj6 h PHE 77 CO -0.36 -0.34 -0.13 0.28 -2.02 0.00 0.00 178.31 175.74 1sj6 h VAL 78 N -0.20 1.20 0.00 1.41 2.07 -0.05 -1.41 116.25 119.27 1sj6 h VAL 78 Ca 0.19 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1sj6 h VAL 78 Cb 0.49 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1sj6 h VAL 78 CO -0.52 0.28 0.00 1.21 0.02 0.00 0.00 177.57 178.56 1sj6 n GLU 79 N -4.25 0.21 -0.09 1.57 2.13 0.24 -3.26 120.64 117.19 1sj6 n GLU 79 Ca -0.00 0.10 -0.14 0.00 0.66 0.00 0.00 57.16 57.78 1sj6 n GLU 79 Cb 0.29 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.44 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 -1.35 0.76 -0.32 4.31 0.00 -0.11 -4.29 120.51 119.51 1sj6 n ALA 80 Ca 0.09 -0.65 0.19 0.00 0.00 0.00 0.00 53.44 53.06 1sj6 n ALA 80 Cb 0.20 -0.08 0.45 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.43 0.00 2.07 -1.58 1.04 116.25 116.96 1sj6 h VAL 81 Ca -0.19 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.23 1sj6 h VAL 81 Cb 0.99 0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 1sj6 h VAL 81 CO -0.12 0.09 0.02 1.05 0.02 0.00 0.00 177.57 178.64 1sj6 h GLU 82 N 0.52 0.13 -0.58 1.57 4.11 -1.75 -1.87 114.58 116.71 1sj6 h GLU 82 Ca 0.57 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 60.00 1sj6 h GLU 82 Cb 1.25 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1sj6 h GLU 82 CO -0.32 0.09 0.00 0.94 0.07 0.00 0.00 179.01 179.79 1sj6 n GLN 83 N -5.18 2.63 -1.11 1.06 7.27 -0.50 -4.91 117.38 116.64 1sj6 n GLN 83 Ca 0.04 -2.50 -0.04 0.00 0.07 0.00 0.00 57.00 54.57 1sj6 n GLN 83 Cb 0.22 -1.55 -0.02 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 1.60 -3.47 0.17 1.69 2.85 0.29 -4.90 115.26 113.49 1sj6 n ASN 84 Ca 0.22 0.09 0.12 0.00 -0.11 0.00 0.00 54.58 54.91 1sj6 n ASN 84 Cb 0.62 -1.31 0.18 0.00 1.24 0.00 0.00 39.78 40.51 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 -0.45 -0.44 2.02 0.75 -3.37 112.91 111.42 1sj6 h THR 85 Ca -0.08 -0.88 0.16 0.00 0.77 0.00 0.00 66.41 66.38 1sj6 h THR 85 Cb 0.25 1.77 -0.08 0.00 -1.74 0.00 0.00 68.15 68.36 1sj6 h THR 85 CO 0.11 0.00 0.14 -0.11 0.37 0.00 0.00 175.52 176.04 1sj6 n LEU 86 N -2.83 0.07 0.18 2.58 0.00 -1.00 0.89 117.00 116.88 1sj6 n LEU 86 Ca 0.04 0.76 -0.16 0.00 0.00 0.00 0.00 56.01 56.65 1sj6 n LEU 86 Cb 0.51 -0.33 -0.09 0.00 0.00 0.00 0.00 43.42 43.51 1sj6 n LEU 86 CO 0.35 -0.82 0.55 -0.61 0.00 0.00 0.00 177.39 176.86 1sj6 h GLN 87 N 0.00 -0.77 -0.84 1.96 4.15 -1.91 1.00 115.11 118.70 1sj6 h GLN 87 Ca 0.34 0.05 0.24 0.00 0.77 0.00 0.00 58.65 60.05 1sj6 h GLN 87 Cb 0.83 0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.66 1sj6 h GLN 87 CO -0.38 -0.51 0.93 1.49 -1.93 0.00 0.00 178.83 178.42 1sj6 h GLU 88 N -0.80 0.00 0.00 1.69 4.81 0.28 1.12 114.58 121.68 1sj6 h GLU 88 Ca -0.01 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.98 1sj6 h GLU 88 Cb 0.77 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 1sj6 h GLU 88 CO -0.19 0.00 -2.23 0.34 -0.73 0.00 0.00 179.01 176.19 1sj6 n PHE 89 N -3.46 0.00 0.00 0.92 -0.00 -0.05 -3.84 117.46 111.03 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 1.20 -0.81 0.00 0.00 -0.00 0.00 0.00 39.48 39.87 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 -2.57 0.13 0.18 -2.13 -0.00 0.33 -4.67 117.00 108.26 1sj6 n LEU 90 Ca -0.23 0.10 0.09 0.00 -0.00 0.00 0.00 56.01 55.98 1sj6 n LEU 90 Cb 0.94 -0.41 0.10 0.00 -0.00 0.00 0.00 43.42 44.05 1sj6 n LEU 90 CO 0.43 -0.41 0.57 0.11 -0.00 0.00 0.00 177.39 178.09 1sj6 h LYS 91 N 0.00 0.00 0.00 1.96 1.79 -0.45 -3.47 116.57 116.39 1sj6 h LYS 91 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1sj6 h LYS 91 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1sj6 h LYS 91 CO 0.00 0.12 0.00 1.28 -1.08 0.00 0.00 179.45 179.77 1sj6 n LEU 92 N -3.05 0.00 0.00 2.94 7.99 0.31 -3.49 117.00 121.70 1sj6 n LEU 92 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 1sj6 n LEU 92 Cb 0.59 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.90 1sj6 n LEU 92 CO 0.37 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.25 1sj6 n ALA 93 N 1.17 0.00 -2.38 -1.18 0.00 -1.26 -4.49 120.51 112.38 1sj6 n ALA 93 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1sj6 n ALA 93 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.39 -5.92 -0.30 0.00 7.94 -1.23 -5.22 117.00 110.88 1sj6 n LEU 94 Ca 0.00 2.30 0.15 0.00 -1.11 0.00 0.00 56.01 57.35 1sj6 n LEU 94 Cb 0.00 -3.06 0.69 0.00 0.53 0.00 0.00 43.42 41.58 1sj6 n LEU 94 CO 0.00 -3.27 0.96 -0.62 -1.11 0.00 0.00 177.39 173.35