#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 2.44 0.20 6.12 0.01 -1.26 -5.13 113.70 116.09 1sj6 s SER 2 Ca 0.00 -0.43 -0.15 0.00 1.31 0.00 0.00 55.95 56.68 1sj6 s SER 2 Cb 0.00 -1.09 0.01 0.00 0.21 0.00 0.00 66.02 65.15 1sj6 s SER 2 CO 0.00 0.02 0.47 -0.83 0.41 0.00 0.00 173.24 173.31 1sj6 s GLY 3 N 0.97 0.17 -0.10 3.44 0.00 -1.26 -5.09 107.32 105.45 1sj6 s GLY 3 Ca -0.07 -0.51 -0.22 0.00 0.00 0.00 0.00 44.72 43.92 1sj6 s GLY 3 CO -0.01 -0.45 0.53 1.08 0.00 0.00 0.00 173.10 174.24 1sj6 s LEU 4 N -2.93 -0.04 -0.05 0.66 1.02 -1.26 -4.27 118.68 111.81 1sj6 s LEU 4 Ca 0.14 0.68 0.03 0.00 0.02 0.00 0.00 54.13 55.00 1sj6 s LEU 4 Cb -0.00 1.95 0.01 0.00 0.02 0.00 0.00 46.19 48.16 1sj6 s LEU 4 CO 0.01 -0.41 -0.14 0.00 0.02 0.00 0.00 176.35 175.83 1sj6 s ARG 5 N -0.69 1.70 -0.18 1.70 1.70 -0.01 0.11 118.95 123.29 1sj6 s ARG 5 Ca -0.08 -0.49 -0.01 0.00 -0.47 0.00 0.00 55.73 54.69 1sj6 s ARG 5 Cb -0.03 -1.44 0.00 0.00 -0.57 0.00 0.00 34.95 32.92 1sj6 s ARG 5 CO 0.05 0.12 -0.14 0.08 -1.08 0.00 0.00 175.30 174.33 1sj6 s VAL 6 N 0.39 2.70 0.28 4.99 1.01 -0.85 -0.45 120.40 128.46 1sj6 s VAL 6 Ca -0.10 -0.74 -0.26 0.00 0.00 0.00 0.00 61.98 60.88 1sj6 s VAL 6 Cb -0.14 -2.16 -0.09 0.00 0.00 0.00 0.00 36.38 33.99 1sj6 s VAL 6 CO 0.03 0.50 0.90 -0.31 0.00 0.00 0.00 175.10 176.22 1sj6 s TYR 7 N 1.10 3.78 0.25 5.22 2.02 0.21 -0.32 117.35 129.61 1sj6 s TYR 7 Ca 0.00 1.75 -0.22 0.00 -0.37 0.00 0.00 57.07 58.24 1sj6 s TYR 7 Cb -0.14 -2.88 0.03 0.00 -0.40 0.00 0.00 41.96 38.57 1sj6 s TYR 7 CO -0.04 0.31 0.69 0.45 -1.57 0.00 0.00 175.55 175.39 1sj6 s SER 8 N -1.48 -0.34 -0.34 2.29 0.15 -0.97 -2.08 113.70 110.93 1sj6 s SER 8 Ca 0.46 -0.45 -0.06 0.00 0.70 0.00 0.00 55.95 56.60 1sj6 s SER 8 Cb -0.20 0.70 0.05 0.00 -1.71 0.00 0.00 66.02 64.85 1sj6 s SER 8 CO 0.25 -1.25 0.11 0.28 1.20 0.00 0.00 173.24 173.83 1sj6 s THR 9 N -3.87 3.68 0.09 6.45 -1.32 -1.26 -2.70 115.64 116.70 1sj6 s THR 9 Ca 0.08 -1.24 -0.14 0.00 -1.21 0.00 0.00 61.69 59.18 1sj6 s THR 9 Cb -0.05 -3.13 -0.13 0.00 -1.51 0.00 0.00 72.50 67.69 1sj6 s THR 9 CO 0.02 -0.22 1.34 -1.28 -2.21 0.00 0.00 174.62 172.26 1sj6 h SER 10 N 8.19 0.84 0.10 8.08 0.87 -1.93 -3.18 113.55 126.53 1sj6 h SER 10 Ca -0.22 -0.58 -0.12 0.00 -1.23 0.00 0.00 61.79 59.64 1sj6 h SER 10 Cb 1.08 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 1sj6 h SER 10 CO 0.61 1.27 -0.40 0.58 -0.53 0.00 0.00 176.83 178.36 1sj6 h VAL 11 N 0.46 1.30 -0.48 2.23 2.07 -1.93 -3.48 116.25 116.42 1sj6 h VAL 11 Ca -0.01 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1sj6 h VAL 11 Cb 1.17 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1sj6 h VAL 11 CO 0.12 0.47 0.00 1.07 0.02 0.00 0.00 177.57 179.25 1sj6 n THR 12 N -4.03 0.00 0.00 2.57 5.66 -1.20 -4.98 114.28 112.30 1sj6 n THR 12 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1sj6 n THR 12 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 1sj6 n THR 12 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1sj6 n GLY 13 N 0.00 -0.19 0.00 1.09 0.00 -1.26 -5.13 105.19 99.70 1sj6 n GLY 13 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1sj6 n GLY 13 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sj6 n SER 14 N -1.86 0.00 -0.00 1.61 7.64 -1.26 -5.02 113.62 114.73 1sj6 n SER 14 Ca 0.00 -0.72 0.06 0.00 1.01 0.00 0.00 58.87 59.22 1sj6 n SER 14 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1sj6 n SER 14 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1sj6 n ARG 15 N -0.72 1.88 -0.10 1.43 1.74 -1.26 -4.49 116.66 115.15 1sj6 n ARG 15 Ca 0.00 -0.05 -0.11 0.00 -0.77 0.00 0.00 57.85 56.92 1sj6 n ARG 15 Cb 0.00 -1.16 -0.15 0.00 -1.02 0.00 0.00 32.46 30.13 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 -1.57 0.71 0.07 5.56 1.02 -1.26 -4.33 120.64 120.84 1sj6 n GLU 16 Ca 0.00 0.01 0.05 0.00 -0.02 0.00 0.00 57.16 57.20 1sj6 n GLU 16 Cb 0.24 -1.51 0.48 0.00 -0.02 0.00 0.00 31.44 30.63 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 1.08 -0.50 -3.67 1.08 -1.98 -1.80 117.51 111.73 1sj6 h ILE 17 Ca -0.55 -0.18 -0.08 0.00 -0.39 0.00 0.00 64.86 63.66 1sj6 h ILE 17 Cb 2.20 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 36.60 1sj6 h ILE 17 CO 0.02 0.08 -0.03 0.11 -0.69 0.00 0.00 178.15 177.64 1sj6 h LYS 18 N 0.40 0.85 0.00 2.37 1.57 -1.79 -2.60 116.57 117.36 1sj6 h LYS 18 Ca 0.11 -0.25 -0.08 0.00 -1.87 0.00 0.00 60.65 58.56 1sj6 h LYS 18 Cb -0.02 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1sj6 h LYS 18 CO -0.02 0.87 -0.38 1.03 -0.57 0.00 0.00 179.45 180.37 1sj6 h SER 19 N 0.78 0.00 -0.30 0.86 0.87 -1.54 -2.60 113.55 111.62 1sj6 h SER 19 Ca 0.14 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.73 1sj6 h SER 19 Cb 0.51 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1sj6 h SER 19 CO 0.03 0.38 0.20 1.56 -0.53 0.00 0.00 176.83 178.47 1sj6 h GLN 20 N 0.00 0.29 0.00 2.24 1.08 -1.18 0.34 115.11 117.88 1sj6 h GLN 20 Ca -0.00 -0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 57.08 1sj6 h GLN 20 Cb 0.69 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.04 1sj6 h GLN 20 CO 0.05 0.19 -0.57 1.96 -0.95 0.00 0.00 178.83 179.51 1sj6 h GLN 21 N 0.30 0.00 -0.03 1.46 4.20 -1.53 -3.03 115.11 116.48 1sj6 h GLN 21 Ca 0.12 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1sj6 h GLN 21 Cb 0.13 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 1sj6 h GLN 21 CO -0.03 0.93 -0.01 0.77 -0.67 0.00 0.00 178.83 179.83 1sj6 h SER 22 N -1.00 0.04 0.20 1.46 0.02 -1.32 0.33 113.55 113.28 1sj6 h SER 22 Ca -0.15 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 1sj6 h SER 22 Cb 1.08 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1sj6 h SER 22 CO -0.09 0.05 -0.10 -0.08 -1.14 0.00 0.00 176.83 175.48 1sj6 h GLU 23 N 0.04 -0.26 -0.57 3.45 4.57 -0.45 -0.85 114.58 120.51 1sj6 h GLU 23 Ca 0.01 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1sj6 h GLU 23 Cb 0.04 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 1sj6 h GLU 23 CO 0.00 0.11 0.37 0.28 -1.18 0.00 0.00 179.01 178.59 1sj6 h VAL 24 N -0.92 1.15 -0.05 0.32 2.07 -1.38 -1.91 116.25 115.52 1sj6 h VAL 24 Ca -0.03 -0.29 -0.19 0.00 0.82 0.00 0.00 66.70 67.02 1sj6 h VAL 24 Cb 0.49 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1sj6 h VAL 24 CO 0.04 0.15 -0.77 0.71 0.02 0.00 0.00 177.57 177.73 1sj6 h THR 25 N 0.77 1.40 -0.76 2.57 1.35 -1.00 -2.45 112.91 114.80 1sj6 h THR 25 Ca 0.21 -2.24 -0.05 0.00 -0.55 0.00 0.00 66.41 63.77 1sj6 h THR 25 Cb -0.08 2.20 -0.03 0.00 -1.73 0.00 0.00 68.15 68.51 1sj6 h THR 25 CO -0.04 0.67 0.27 -0.09 -0.25 0.00 0.00 175.52 176.08 1sj6 h ARG 26 N 0.23 1.15 0.14 4.72 2.43 -0.39 0.34 114.38 123.01 1sj6 h ARG 26 Ca -0.04 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 58.90 1sj6 h ARG 26 Cb 1.35 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1sj6 h ARG 26 CO 0.13 0.95 -0.07 0.82 -1.51 0.00 0.00 179.97 180.29 1sj6 h ILE 27 N 1.11 0.94 -0.39 1.20 2.04 -1.41 -1.65 117.51 119.35 1sj6 h ILE 27 Ca 0.25 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 64.97 1sj6 h ILE 27 Cb 0.26 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1sj6 h ILE 27 CO -0.02 0.24 0.24 -0.07 0.00 0.00 0.00 178.15 178.54 1sj6 h LEU 28 N -0.81 0.46 -0.16 1.44 3.38 -1.43 -1.85 115.31 116.34 1sj6 h LEU 28 Ca -0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1sj6 h LEU 28 Cb 0.54 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1sj6 h LEU 28 CO 0.03 0.37 0.10 -0.78 0.09 0.00 0.00 178.44 178.26 1sj6 h ASP 29 N 0.52 0.18 -0.13 -0.43 1.82 -0.40 -2.05 116.42 115.92 1sj6 h ASP 29 Ca 0.14 -0.01 0.04 0.00 -0.39 0.00 0.00 57.03 56.81 1sj6 h ASP 29 Cb -0.01 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 39.95 1sj6 h ASP 29 CO -0.03 0.14 0.10 1.23 -1.61 0.00 0.00 179.24 179.07 1sj6 h GLY 30 N 0.21 0.00 2.00 -0.78 0.00 -1.08 0.14 103.07 103.56 1sj6 h GLY 30 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1sj6 h GLY 30 CO -0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.81 1sj6 n LYS 31 N -4.50 0.01 -3.01 4.80 5.02 -0.72 -4.91 118.16 114.85 1sj6 n LYS 31 Ca 0.00 0.06 -0.12 0.00 -2.02 0.00 0.00 58.31 56.24 1sj6 n LYS 31 Cb 0.22 -1.51 0.04 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.53 -4.10 -3.19 1.97 5.12 0.49 -5.03 116.66 110.38 1sj6 n ARG 32 Ca 0.06 0.45 -0.25 0.00 -1.93 0.00 0.00 57.85 56.18 1sj6 n ARG 32 Cb 0.31 -4.31 -0.01 0.00 -1.16 0.00 0.00 32.46 27.29 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 -3.18 5.05 -0.50 0.55 1.01 -1.07 -5.00 121.20 118.05 1sj6 s ILE 33 Ca 0.24 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.68 1sj6 s ILE 33 Cb -0.10 -3.85 0.55 0.00 0.01 0.00 0.00 42.46 39.06 1sj6 s ILE 33 CO 0.39 -0.60 1.85 0.00 0.00 0.00 0.00 174.94 176.58 1sj6 n GLN 34 N -1.80 2.47 -1.24 2.79 3.00 -1.26 -4.84 117.38 116.50 1sj6 n GLN 34 Ca -0.03 -3.24 -0.33 0.00 -0.01 0.00 0.00 57.00 53.39 1sj6 n GLN 34 Cb 0.56 -2.18 0.11 0.00 0.00 0.00 0.00 30.24 28.73 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 -3.52 1.94 0.67 1.08 1.13 -1.26 -4.63 117.35 112.76 1sj6 s TYR 35 Ca 0.58 1.64 0.04 0.00 -1.41 0.00 0.00 57.07 57.93 1sj6 s TYR 35 Cb 0.48 -3.44 0.12 0.00 -1.10 0.00 0.00 41.96 38.02 1sj6 s TYR 35 CO 0.04 -2.68 0.92 0.94 -2.51 0.00 0.00 175.55 172.27 1sj6 n GLN 36 N -3.11 0.21 -3.44 -3.49 7.27 0.30 -4.95 117.38 110.18 1sj6 n GLN 36 Ca 0.13 -2.95 -0.27 0.00 0.07 0.00 0.00 57.00 53.98 1sj6 n GLN 36 Cb 0.51 -0.48 -0.10 0.00 2.41 0.00 0.00 30.24 32.58 1sj6 n GLN 36 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1sj6 n LEU 37 N 0.00 -0.16 -4.52 1.69 0.00 -1.26 -2.00 117.00 110.75 1sj6 n LEU 37 Ca 0.17 -4.45 -0.42 0.00 0.00 0.00 0.00 56.01 51.31 1sj6 n LEU 37 Cb 0.60 0.42 -0.01 0.00 0.00 0.00 0.00 43.42 44.44 1sj6 n LEU 37 CO 0.40 1.85 1.98 1.33 0.00 0.00 0.00 177.39 182.95 1sj6 n VAL 38 N 2.75 3.72 -2.59 1.96 0.24 0.57 -4.91 118.33 120.07 1sj6 n VAL 38 Ca 0.29 -3.84 -0.43 0.00 -2.04 0.00 0.00 64.34 58.32 1sj6 n VAL 38 Cb 0.47 -2.35 -0.02 0.00 -1.47 0.00 0.00 33.84 30.47 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 4.37 6.84 0.39 -1.34 1.11 -1.26 -3.27 116.67 123.50 1sj6 s ASP 39 Ca 0.55 1.00 0.28 0.00 0.18 0.00 0.00 52.55 54.55 1sj6 s ASP 39 Cb 0.04 -2.54 1.08 0.00 1.07 0.00 0.00 42.92 42.57 1sj6 s ASP 39 CO 0.07 -0.98 1.82 0.16 1.18 0.00 0.00 175.17 177.43 1sj6 h ILE 40 N 5.85 0.00 -0.02 0.77 3.07 -1.83 -2.98 117.51 122.37 1sj6 h ILE 40 Ca -0.22 -0.42 0.01 0.00 1.55 0.00 0.00 64.86 65.77 1sj6 h ILE 40 Cb 1.07 1.31 -0.00 0.00 -0.27 0.00 0.00 36.82 38.92 1sj6 h ILE 40 CO 1.05 0.00 0.02 0.28 -1.05 0.00 0.00 178.15 178.45 1sj6 h SER 41 N 0.00 0.00 0.27 2.16 0.02 -1.91 -3.06 113.55 111.03 1sj6 h SER 41 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1sj6 h SER 41 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1sj6 h SER 41 CO 0.00 0.00 -0.14 -0.61 -1.14 0.00 0.00 176.83 174.94 1sj6 h GLN 42 N 0.00 -0.37 -6.35 3.45 4.15 -1.89 -3.44 115.11 110.67 1sj6 h GLN 42 Ca 0.01 0.02 -0.69 0.00 0.77 0.00 0.00 58.65 58.76 1sj6 h GLN 42 Cb 0.05 0.08 -0.23 0.00 0.21 0.00 0.00 27.48 27.59 1sj6 h GLN 42 CO -0.00 -0.24 -0.77 0.34 -1.93 0.00 0.00 178.83 176.22 1sj6 s ASP 43 N -2.64 3.99 0.57 -0.69 2.15 -1.16 -5.00 116.67 113.89 1sj6 s ASP 43 Ca -0.06 -0.21 0.31 0.00 0.43 0.00 0.00 52.55 53.02 1sj6 s ASP 43 Cb 0.01 -0.82 1.70 0.00 -0.30 0.00 0.00 42.92 43.51 1sj6 s ASP 43 CO 0.18 0.34 2.16 0.78 -0.17 0.00 0.00 175.17 178.46 1sj6 h ASN 44 N 5.30 0.00 -0.07 -0.34 4.21 -1.85 -2.04 115.58 120.78 1sj6 h ASN 44 Ca -0.46 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 56.97 1sj6 h ASN 44 Cb 1.15 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.34 1sj6 h ASN 44 CO 0.50 0.06 -0.18 0.00 -1.29 0.00 0.00 177.43 176.52 1sj6 h ALA 45 N 1.94 1.23 0.00 -0.83 0.00 -1.95 -2.41 119.26 117.24 1sj6 h ALA 45 Ca -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1sj6 h ALA 45 Cb 0.20 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1sj6 h ALA 45 CO 0.01 0.50 -0.16 -0.07 0.00 0.00 0.00 179.25 179.53 1sj6 h LEU 46 N 0.41 0.00 -0.02 0.00 3.38 -1.62 0.89 115.31 118.35 1sj6 h LEU 46 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1sj6 h LEU 46 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1sj6 h LEU 46 CO 0.04 0.16 -0.01 -0.09 0.09 0.00 0.00 178.44 178.62 1sj6 h ARG 47 N 0.00 0.05 -0.01 1.13 2.43 -1.52 -0.35 114.38 116.11 1sj6 h ARG 47 Ca -0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1sj6 h ARG 47 Cb 0.29 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1sj6 h ARG 47 CO 0.02 0.47 0.00 -3.47 -1.51 0.00 0.00 179.97 175.48 1sj6 n ASP 48 N -4.84 0.45 -0.10 -3.80 2.03 -1.07 -2.63 116.55 106.59 1sj6 n ASP 48 Ca -0.08 -1.19 -0.10 0.00 0.52 0.00 0.00 54.79 53.93 1sj6 n ASP 48 Cb 0.24 -0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.48 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 -0.63 0.71 0.09 -0.67 4.07 0.29 -3.95 120.64 120.55 1sj6 n GLU 49 Ca 0.22 -0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 57.09 1sj6 n GLU 49 Cb 0.18 -1.52 -0.15 0.00 -0.06 0.00 0.00 31.44 29.89 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 0.40 -0.03 5.31 4.05 -1.04 -2.85 114.93 120.78 1sj6 h MET 50 Ca -0.55 -0.69 -0.04 0.00 -0.28 0.00 0.00 59.70 58.15 1sj6 h MET 50 Cb 2.22 0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 33.27 1sj6 h MET 50 CO 0.02 1.33 -0.16 0.00 0.23 0.00 0.00 176.91 178.33 1sj6 h ARG 51 N -0.09 0.05 0.22 0.39 -0.00 -1.73 0.17 114.38 113.40 1sj6 h ARG 51 Ca -0.24 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.22 1sj6 h ARG 51 Cb 1.94 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.90 1sj6 h ARG 51 CO 0.19 0.21 -0.11 0.00 0.00 0.00 0.00 179.97 180.26 1sj6 h ALA 52 N 1.80 -0.30 -0.02 0.04 0.00 -1.68 -2.33 119.26 116.76 1sj6 h ALA 52 Ca 0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1sj6 h ALA 52 Cb 0.31 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1sj6 h ALA 52 CO 0.02 -0.29 0.01 1.37 0.00 0.00 0.00 179.25 180.36 1sj6 h LEU 53 N -1.07 0.03 -0.53 0.00 8.10 -1.48 -0.13 115.31 120.23 1sj6 h LEU 53 Ca -0.03 -0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.96 1sj6 h LEU 53 Cb 0.27 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.48 1sj6 h LEU 53 CO 0.05 0.03 0.00 0.00 -4.11 0.00 0.00 178.44 174.41 1sj6 h ALA 54 N 1.98 1.00 -4.96 0.17 0.00 -0.75 -3.46 119.26 113.25 1sj6 h ALA 54 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.62 1sj6 h ALA 54 Cb 0.01 0.00 0.13 0.00 0.00 0.00 0.00 17.79 17.93 1sj6 h ALA 54 CO -0.00 0.00 -0.59 0.41 0.00 0.00 0.00 179.25 179.07 1sj6 n GLY 55 N 0.65 -0.24 3.16 0.00 0.00 -0.06 -4.99 105.19 103.70 1sj6 n GLY 55 Ca 0.03 0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.65 -0.09 -0.12 1.61 2.47 -0.90 -5.03 114.94 109.23 1sj6 s ASN 56 Ca 0.26 0.07 0.04 0.00 0.42 0.00 0.00 52.86 53.65 1sj6 s ASN 56 Cb -0.11 1.08 0.27 0.00 -1.45 0.00 0.00 41.25 41.04 1sj6 s ASN 56 CO 0.59 -0.02 1.10 -0.81 -3.72 0.00 0.00 177.10 174.25 1sj6 n PRO 57 N 5.24 2.01 0.00 0.43 -0.05 -1.26 -3.40 135.00 137.97 1sj6 n PRO 57 Ca -0.09 -1.10 0.00 0.00 -0.05 0.00 0.00 63.50 62.26 1sj6 n PRO 57 Cb 0.55 -1.63 0.00 0.00 -0.05 0.00 0.00 33.50 32.37 1sj6 n PRO 57 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 175.50 176.62 1sj6 n LYS 58 N 0.10 1.94 0.00 0.54 4.81 -1.26 -5.06 118.16 119.22 1sj6 n LYS 58 Ca 0.15 -0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 1sj6 n LYS 58 Cb 0.72 -0.70 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 -0.34 0.00 -2.36 3.14 0.00 -1.22 -5.08 120.51 114.65 1sj6 n ALA 59 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1sj6 n ALA 59 Cb 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.39 0.08 0.20 0.00 -4.23 -1.26 -5.07 115.64 104.97 1sj6 s THR 60 Ca 0.00 -1.74 -0.13 0.00 -1.18 0.00 0.00 61.69 58.64 1sj6 s THR 60 Cb 0.00 -2.02 0.17 0.00 1.34 0.00 0.00 72.50 71.99 1sj6 s THR 60 CO 0.00 -0.36 1.66 -0.65 -0.54 0.00 0.00 174.62 174.73 1sj6 h PRO 61 N 2.73 0.06 -5.53 3.99 0.11 -1.92 -3.34 132.00 128.09 1sj6 h PRO 61 Ca -0.34 -0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.53 1sj6 h PRO 61 Cb 1.21 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1sj6 h PRO 61 CO 0.54 0.04 0.66 -1.25 -0.21 0.00 0.00 178.00 177.79 1sj6 s PRO 62 N -6.19 2.26 -0.06 1.05 0.04 -1.21 -2.29 135.00 128.61 1sj6 s PRO 62 Ca -0.14 -0.45 -0.00 0.00 0.04 0.00 0.00 61.00 60.45 1sj6 s PRO 62 Cb 0.17 -5.07 0.03 0.00 0.04 0.00 0.00 34.50 29.67 1sj6 s PRO 62 CO 0.73 -3.92 -0.02 -0.65 0.04 0.00 0.00 177.00 173.18 1sj6 s GLN 63 N 7.26 0.67 0.46 4.56 -1.52 -0.88 -2.46 119.66 127.74 1sj6 s GLN 63 Ca 0.74 0.02 -0.11 0.00 -1.95 0.00 0.00 55.36 54.05 1sj6 s GLN 63 Cb -0.06 -0.87 -0.06 0.00 -0.22 0.00 0.00 33.01 31.80 1sj6 s GLN 63 CO 0.06 -0.20 0.84 0.42 -0.25 0.00 0.00 175.29 176.17 1sj6 s ILE 64 N 1.45 4.73 -0.21 1.08 1.09 0.29 0.64 121.20 130.27 1sj6 s ILE 64 Ca -0.03 0.74 -0.19 0.00 -1.10 0.00 0.00 60.65 60.07 1sj6 s ILE 64 Cb -0.13 -3.75 0.05 0.00 -1.06 0.00 0.00 42.46 37.57 1sj6 s ILE 64 CO -0.03 -0.64 0.55 -0.69 -0.10 0.00 0.00 174.94 174.03 1sj6 s VAL 65 N -2.53 -0.00 -1.02 2.92 1.01 0.41 -2.77 120.40 118.42 1sj6 s VAL 65 Ca 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.46 1sj6 s VAL 65 Cb -0.10 -0.77 0.26 0.00 0.00 0.00 0.00 36.38 35.77 1sj6 s VAL 65 CO 0.34 0.00 1.00 0.59 0.00 0.00 0.00 175.10 177.04 1sj6 n ASN 66 N 2.80 5.02 0.00 3.32 4.13 -1.18 -0.83 115.26 128.52 1sj6 n ASN 66 Ca -0.14 -3.11 0.00 0.00 1.68 0.00 0.00 54.58 53.02 1sj6 n ASN 66 Cb 0.56 -1.23 0.00 0.00 -1.54 0.00 0.00 39.78 37.57 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 2.41 2.21 2.17 7.41 0.00 -1.26 -3.80 105.19 114.33 1sj6 n GLY 67 Ca 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 1sj6 n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sj6 n ASP 68 N 4.45 -0.11 -4.18 1.61 8.00 -1.26 -4.93 116.55 120.12 1sj6 n ASP 68 Ca 0.00 -2.08 -0.11 0.00 0.71 0.00 0.00 54.79 53.31 1sj6 n ASP 68 Cb 0.00 0.12 -0.10 0.00 -0.02 0.00 0.00 41.12 41.12 1sj6 n ASP 68 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1sj6 s GLN 69 N -1.02 0.89 -0.74 -1.24 -0.21 -1.25 -5.10 119.66 110.99 1sj6 s GLN 69 Ca 0.16 -1.37 -0.27 0.00 0.02 0.00 0.00 55.36 53.90 1sj6 s GLN 69 Cb 0.31 -0.21 0.03 0.00 1.00 0.00 0.00 33.01 34.14 1sj6 s GLN 69 CO -0.08 -0.04 1.29 -0.47 -2.12 0.00 0.00 175.29 173.87 1sj6 s TYR 70 N -3.64 2.28 -0.11 0.91 5.04 -1.26 -3.12 117.35 117.45 1sj6 s TYR 70 Ca 0.14 -0.05 -0.11 0.00 -2.44 0.00 0.00 57.07 54.60 1sj6 s TYR 70 Cb 0.05 -4.62 -0.10 0.00 0.35 0.00 0.00 41.96 37.64 1sj6 s TYR 70 CO -0.03 -2.08 0.32 0.00 -1.34 0.00 0.00 175.55 172.42 1sj6 n GLY 72 N 1.64 -1.42 1.28 0.00 0.00 -1.11 -4.98 105.19 100.60 1sj6 n GLY 72 Ca -0.04 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 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 1.43 1.56 -0.01 1.61 5.68 -1.26 0.10 116.55 125.66 1sj6 n ASP 73 Ca 0.00 -1.81 -0.10 0.00 -0.50 0.00 0.00 54.79 52.38 1sj6 n ASP 73 Cb 0.00 0.30 -0.04 0.00 -1.14 0.00 0.00 41.12 40.23 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 1.20 -0.06 -0.82 2.11 5.03 -1.89 0.14 116.97 122.67 1sj6 h TYR 74 Ca -0.13 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.24 1sj6 h TYR 74 Cb 0.46 0.05 -0.05 0.00 1.55 0.00 0.00 36.73 38.74 1sj6 h TYR 74 CO 0.00 -0.05 0.54 1.49 -1.32 0.00 0.00 178.16 178.82 1sj6 h GLU 75 N 0.00 0.94 0.36 1.82 4.22 -1.97 -0.54 114.58 119.41 1sj6 h GLU 75 Ca 0.06 -0.06 -0.02 0.00 0.08 0.00 0.00 59.36 59.43 1sj6 h GLU 75 Cb 0.09 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1sj6 h GLU 75 CO -0.13 0.62 -0.17 1.25 -2.18 0.00 0.00 179.01 178.40 1sj6 h LEU 76 N 0.96 -0.41 -0.63 1.64 6.46 -1.80 -0.62 115.31 120.91 1sj6 h LEU 76 Ca 0.34 -0.06 0.13 0.00 -0.12 0.00 0.00 57.88 58.17 1sj6 h LEU 76 Cb 0.13 0.11 -0.10 0.00 -0.73 0.00 0.00 40.66 40.06 1sj6 h LEU 76 CO -0.11 0.04 0.05 0.15 -0.62 0.00 0.00 178.44 177.95 1sj6 h PHE 77 N -1.08 0.04 -0.43 1.25 3.04 -0.66 0.94 116.94 120.04 1sj6 h PHE 77 Ca -0.05 0.04 -0.09 0.00 3.98 0.00 0.00 57.97 61.85 1sj6 h PHE 77 Cb 0.45 0.08 -0.02 0.00 2.56 0.00 0.00 35.95 39.02 1sj6 h PHE 77 CO 0.02 -0.14 -0.11 0.28 -2.02 0.00 0.00 178.31 176.34 1sj6 h VAL 78 N 0.16 1.26 0.00 1.41 2.07 -1.18 -2.15 116.25 117.81 1sj6 h VAL 78 Ca 0.34 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1sj6 h VAL 78 Cb 0.55 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1sj6 h VAL 78 CO -0.51 0.40 0.00 -0.08 0.02 0.00 0.00 177.57 177.40 1sj6 h GLU 79 N 0.70 0.00 0.00 1.57 4.81 0.82 -2.34 114.58 120.13 1sj6 h GLU 79 Ca 0.12 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1sj6 h GLU 79 Cb 0.59 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 1sj6 h GLU 79 CO 0.04 0.00 -0.40 0.00 -0.73 0.00 0.00 179.01 177.92 1sj6 h ALA 80 N 2.01 0.01 -1.00 2.92 0.00 -0.69 -3.37 119.26 119.14 1sj6 h ALA 80 Ca 0.00 -0.41 0.23 0.00 0.00 0.00 0.00 54.91 54.74 1sj6 h ALA 80 Cb 0.05 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 1sj6 h ALA 80 CO 0.00 0.38 0.64 0.28 0.00 0.00 0.00 179.25 180.55 1sj6 h VAL 81 N -1.00 0.61 -0.55 0.00 2.07 -1.41 1.12 116.25 117.09 1sj6 h VAL 81 Ca -0.01 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 67.42 1sj6 h VAL 81 Cb 0.41 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.19 1sj6 h VAL 81 CO -0.01 0.09 0.19 1.05 0.02 0.00 0.00 177.57 178.91 1sj6 h GLU 82 N 0.49 0.35 -0.65 1.57 -0.00 -1.60 -1.62 114.58 113.13 1sj6 h GLU 82 Ca 0.56 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.90 1sj6 h GLU 82 Cb 1.27 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 29.94 1sj6 h GLU 82 CO -0.30 0.23 0.00 0.94 -0.00 0.00 0.00 179.01 179.89 1sj6 n GLN 83 N -5.02 2.64 -1.16 1.06 0.00 -0.50 -4.90 117.38 109.49 1sj6 n GLN 83 Ca 0.07 -2.53 -0.05 0.00 -0.00 0.00 0.00 57.00 54.49 1sj6 n GLN 83 Cb 0.24 -1.55 -0.02 0.00 0.00 0.00 0.00 30.24 28.90 1sj6 n GLN 83 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1sj6 n ASN 84 N 1.59 -3.55 0.13 1.69 2.85 -0.15 -4.90 115.26 112.91 1sj6 n ASN 84 Ca 0.23 0.12 0.12 0.00 -0.11 0.00 0.00 54.58 54.94 1sj6 n ASN 84 Cb 0.61 -1.52 0.15 0.00 1.24 0.00 0.00 39.78 40.26 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 -0.47 -0.44 2.02 0.97 -3.38 112.91 111.62 1sj6 h THR 85 Ca -0.10 -0.81 0.13 0.00 0.77 0.00 0.00 66.41 66.41 1sj6 h THR 85 Cb 0.34 1.55 -0.09 0.00 -1.74 0.00 0.00 68.15 68.21 1sj6 h THR 85 CO 0.15 0.00 0.03 -0.11 0.37 0.00 0.00 175.52 175.96 1sj6 n LEU 86 N -2.61 -0.04 0.06 2.58 7.94 -0.92 0.12 117.00 124.13 1sj6 n LEU 86 Ca 0.03 0.79 -0.12 0.00 -1.11 0.00 0.00 56.01 55.59 1sj6 n LEU 86 Cb 0.50 -0.30 -0.05 0.00 0.53 0.00 0.00 43.42 44.10 1sj6 n LEU 86 CO 0.36 -0.81 0.64 -0.61 -1.11 0.00 0.00 177.39 175.86 1sj6 h GLN 87 N 0.00 -0.47 -1.23 1.96 4.15 -1.91 0.90 115.11 118.50 1sj6 h GLN 87 Ca 0.29 0.03 0.36 0.00 0.77 0.00 0.00 58.65 60.10 1sj6 h GLN 87 Cb 0.62 0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.37 1sj6 h GLN 87 CO -0.43 -0.32 1.06 1.49 -1.93 0.00 0.00 178.83 178.71 1sj6 h GLU 88 N -0.49 0.00 0.00 1.69 4.81 0.57 1.35 114.58 122.51 1sj6 h GLU 88 Ca 0.06 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.08 1sj6 h GLU 88 Cb 0.57 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 1sj6 h GLU 88 CO -0.27 0.00 -2.20 0.34 -0.73 0.00 0.00 179.01 176.15 1sj6 n PHE 89 N -3.74 0.00 -0.00 0.92 -0.00 0.14 -3.75 117.46 111.03 1sj6 n PHE 89 Ca 0.27 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.72 1sj6 n PHE 89 Cb 1.45 -0.77 -0.00 0.00 -0.00 0.00 0.00 39.48 40.16 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 -2.53 0.04 0.07 -2.13 -0.00 0.33 -4.68 117.00 108.11 1sj6 n LEU 90 Ca -0.20 0.20 0.12 0.00 -0.00 0.00 0.00 56.01 56.13 1sj6 n LEU 90 Cb 0.90 -0.51 0.03 0.00 -0.00 0.00 0.00 43.42 43.84 1sj6 n LEU 90 CO 0.44 -0.50 0.03 0.29 -0.00 0.00 0.00 177.39 177.65 1sj6 n LYS 91 N -2.36 0.48 -2.74 1.96 5.02 0.17 -4.96 118.16 115.73 1sj6 n LYS 91 Ca -0.00 0.07 -0.18 0.00 -2.02 0.00 0.00 58.31 56.18 1sj6 n LYS 91 Cb 0.01 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 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 -2.38 -1.62 -0.00 -0.35 4.32 0.38 -4.89 117.00 112.46 1sj6 n LEU 92 Ca 0.01 -0.05 -0.00 0.00 -0.02 0.00 0.00 56.01 55.95 1sj6 n LEU 92 Cb 0.50 -2.41 -0.00 0.00 -1.62 0.00 0.00 43.42 39.90 1sj6 n LEU 92 CO 0.40 -0.02 -0.01 0.00 -1.22 0.00 0.00 177.39 176.54 1sj6 n ALA 93 N -2.70 0.01 -2.72 -1.18 0.00 -1.26 -4.91 120.51 107.75 1sj6 n ALA 93 Ca -0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.17 1sj6 n ALA 93 Cb 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.32 -7.83 -0.85 0.00 7.94 -1.26 -5.01 117.00 107.67 1sj6 n LEU 94 Ca -0.00 1.52 0.11 0.00 -1.11 0.00 0.00 56.01 56.52 1sj6 n LEU 94 Cb 0.01 -3.34 0.09 0.00 0.53 0.00 0.00 43.42 40.71 1sj6 n LEU 94 CO 0.00 -3.31 0.59 -0.62 -1.11 0.00 0.00 177.39 172.94