#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 1.30 -0.04 6.12 0.01 -1.26 -5.15 113.70 114.68 1sj6 s SER 2 Ca 0.00 -0.54 -0.02 0.00 1.31 0.00 0.00 55.95 56.70 1sj6 s SER 2 Cb 0.00 -0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.17 1sj6 s SER 2 CO 0.00 -0.10 0.09 -0.83 0.41 0.00 0.00 173.24 172.81 1sj6 s GLY 3 N -1.50 2.03 -0.28 3.44 0.00 -1.26 -4.86 107.32 104.90 1sj6 s GLY 3 Ca -0.04 -0.81 -0.03 0.00 0.00 0.00 0.00 44.72 43.84 1sj6 s GLY 3 CO 0.01 -0.65 0.56 1.08 0.00 0.00 0.00 173.10 174.11 1sj6 s LEU 4 N -1.51 -1.18 -0.37 0.66 1.43 -1.26 -4.81 118.68 111.64 1sj6 s LEU 4 Ca 0.21 0.89 -0.15 0.00 -1.03 0.00 0.00 54.13 54.05 1sj6 s LEU 4 Cb -0.12 1.97 -0.00 0.00 0.03 0.00 0.00 46.19 48.07 1sj6 s LEU 4 CO 0.11 -0.26 0.33 -0.13 0.23 0.00 0.00 176.35 176.63 1sj6 s ARG 5 N 2.80 3.37 -0.28 1.70 0.52 0.16 0.10 118.95 127.33 1sj6 s ARG 5 Ca 0.14 -0.64 -0.06 0.00 -0.52 0.00 0.00 55.73 54.65 1sj6 s ARG 5 Cb -0.14 -3.86 0.00 0.00 0.52 0.00 0.00 34.95 31.47 1sj6 s ARG 5 CO -0.19 -0.59 0.05 0.08 0.02 0.00 0.00 175.30 174.67 1sj6 s VAL 6 N 1.90 3.85 0.28 3.52 1.01 -1.15 0.80 120.40 130.60 1sj6 s VAL 6 Ca 0.09 -0.65 -0.26 0.00 0.00 0.00 0.00 61.98 61.17 1sj6 s VAL 6 Cb -0.17 -2.94 -0.09 0.00 0.00 0.00 0.00 36.38 33.18 1sj6 s VAL 6 CO 0.11 0.15 0.90 -0.31 0.00 0.00 0.00 175.10 175.95 1sj6 s TYR 7 N 1.49 3.77 0.40 5.22 1.51 -0.23 0.10 117.35 129.61 1sj6 s TYR 7 Ca 0.03 1.74 -0.15 0.00 -1.01 0.00 0.00 57.07 57.68 1sj6 s TYR 7 Cb -0.17 -2.88 0.06 0.00 -0.11 0.00 0.00 41.96 38.87 1sj6 s TYR 7 CO 0.01 0.31 0.80 0.43 -1.11 0.00 0.00 175.55 175.99 1sj6 n SER 8 N 0.87 -2.32 -3.95 2.29 7.64 -1.16 -3.39 113.62 113.62 1sj6 n SER 8 Ca -0.00 -2.60 -0.28 0.00 1.01 0.00 0.00 58.87 57.00 1sj6 n SER 8 Cb 0.49 3.85 -0.17 0.00 -1.01 0.00 0.00 64.21 67.38 1sj6 n SER 8 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1sj6 s THR 9 N -2.09 1.26 0.27 0.44 -1.32 -1.26 -1.84 115.64 111.09 1sj6 s THR 9 Ca 0.16 -0.51 -0.03 0.00 -1.21 0.00 0.00 61.69 60.11 1sj6 s THR 9 Cb -0.05 -1.27 0.27 0.00 -1.51 0.00 0.00 72.50 69.94 1sj6 s THR 9 CO 0.12 0.34 1.89 0.28 -2.21 0.00 0.00 174.62 175.04 1sj6 h SER 10 N 8.11 1.05 -3.35 8.08 0.02 -1.93 -3.40 113.55 122.14 1sj6 h SER 10 Ca -0.31 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 59.99 1sj6 h SER 10 Cb 1.13 -0.22 -0.25 0.00 0.14 0.00 0.00 62.40 63.19 1sj6 h SER 10 CO 0.45 0.68 -0.72 0.54 -1.14 0.00 0.00 176.83 176.65 1sj6 s VAL 11 N -6.04 3.45 0.03 2.27 0.11 -1.26 -5.11 120.40 113.85 1sj6 s VAL 11 Ca -0.12 -0.50 0.03 0.00 -2.93 0.00 0.00 61.98 58.45 1sj6 s VAL 11 Cb 0.20 -2.51 -0.02 0.00 -1.53 0.00 0.00 36.38 32.52 1sj6 s VAL 11 CO 0.81 0.48 -0.09 -0.89 -3.33 0.00 0.00 175.10 172.08 1sj6 s THR 12 N 0.76 0.67 -0.06 5.04 2.01 -1.26 -5.04 115.64 117.76 1sj6 s THR 12 Ca -0.03 -0.78 0.06 0.00 0.31 0.00 0.00 61.69 61.26 1sj6 s THR 12 Cb -0.15 -0.64 -0.09 0.00 0.01 0.00 0.00 72.50 71.63 1sj6 s THR 12 CO 0.02 -0.10 0.04 0.61 -0.69 0.00 0.00 174.62 174.50 1sj6 n GLY 13 N 2.08 -0.34 3.44 4.40 0.00 -1.26 -5.04 105.19 108.47 1sj6 n GLY 13 Ca -0.18 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.70 0.06 -0.00 1.61 0.01 -1.26 -4.99 113.70 105.43 1sj6 s SER 14 Ca -0.03 0.93 0.08 0.00 1.31 0.00 0.00 55.95 58.24 1sj6 s SER 14 Cb 0.02 -1.37 -0.10 0.00 0.21 0.00 0.00 66.02 64.78 1sj6 s SER 14 CO 0.28 -4.68 0.27 0.54 0.41 0.00 0.00 173.24 170.06 1sj6 n ARG 15 N -5.18 2.81 -0.11 12.44 1.74 -1.26 -4.41 116.66 122.70 1sj6 n ARG 15 Ca 0.10 -0.03 -0.12 0.00 -0.77 0.00 0.00 57.85 57.03 1sj6 n ARG 15 Cb 0.59 -0.99 -0.15 0.00 -1.02 0.00 0.00 32.46 30.88 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 -1.41 0.70 0.14 5.56 1.02 -1.26 -4.23 120.64 121.16 1sj6 n GLU 16 Ca 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1sj6 n GLU 16 Cb 0.16 -1.52 0.29 0.00 -0.02 0.00 0.00 31.44 30.35 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 -0.04 -3.67 2.04 -1.98 -2.16 117.51 112.99 1sj6 h ILE 17 Ca -0.55 -1.44 -0.12 0.00 1.00 0.00 0.00 64.86 63.75 1sj6 h ILE 17 Cb 2.15 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 39.93 1sj6 h ILE 17 CO -0.00 0.42 -0.51 0.11 0.00 0.00 0.00 178.15 178.16 1sj6 h LYS 18 N 0.08 0.11 0.06 2.37 1.57 -1.77 -2.85 116.57 116.14 1sj6 h LYS 18 Ca 0.01 -0.06 -0.23 0.00 -1.87 0.00 0.00 60.65 58.49 1sj6 h LYS 18 Cb 0.75 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1sj6 h LYS 18 CO 0.06 0.60 -1.08 0.77 -0.57 0.00 0.00 179.45 179.23 1sj6 h SER 19 N 0.09 0.23 -0.64 0.86 0.02 -1.66 -2.51 113.55 109.94 1sj6 h SER 19 Ca 0.00 -0.23 -0.06 0.00 -0.84 0.00 0.00 61.79 60.66 1sj6 h SER 19 Cb 0.94 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.38 1sj6 h SER 19 CO 0.07 1.15 0.18 1.56 -1.14 0.00 0.00 176.83 178.65 1sj6 h GLN 20 N 0.05 1.01 0.01 3.45 7.50 -1.28 0.02 115.11 125.87 1sj6 h GLN 20 Ca -0.07 -0.23 -0.20 0.00 0.50 0.00 0.00 58.65 58.66 1sj6 h GLN 20 Cb 1.80 -0.14 -0.02 0.00 0.05 0.00 0.00 27.48 29.17 1sj6 h GLN 20 CO 0.16 0.90 -0.91 -0.56 -1.50 0.00 0.00 178.83 176.92 1sj6 h GLN 21 N 0.93 0.08 -0.33 1.46 3.07 -1.58 -2.99 115.11 115.75 1sj6 h GLN 21 Ca 0.20 -0.10 -0.18 0.00 0.09 0.00 0.00 58.65 58.66 1sj6 h GLN 21 Cb 0.32 0.03 -0.00 0.00 0.08 0.00 0.00 27.48 27.92 1sj6 h GLN 21 CO -0.00 0.93 -0.49 0.66 0.09 0.00 0.00 178.83 180.02 1sj6 h SER 22 N 0.04 0.99 -0.55 0.06 4.64 -1.22 -2.82 113.55 114.69 1sj6 h SER 22 Ca -0.03 -0.50 -0.08 0.00 -0.47 0.00 0.00 61.79 60.71 1sj6 h SER 22 Cb 1.57 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 1sj6 h SER 22 CO 0.13 1.30 0.04 -0.08 -0.87 0.00 0.00 176.83 177.35 1sj6 h GLU 23 N 0.71 0.95 0.17 4.77 4.57 -1.04 -1.19 114.58 123.51 1sj6 h GLU 23 Ca 0.03 -0.28 -0.00 0.00 -1.18 0.00 0.00 59.36 57.93 1sj6 h GLU 23 Cb 1.09 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.58 1sj6 h GLU 23 CO 0.11 0.94 -0.11 0.28 -1.18 0.00 0.00 179.01 179.05 1sj6 h VAL 24 N 0.83 0.76 -0.12 0.32 2.07 -1.51 -2.00 116.25 116.61 1sj6 h VAL 24 Ca 0.16 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.63 1sj6 h VAL 24 Cb 0.48 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1sj6 h VAL 24 CO 0.02 0.00 -0.15 0.71 0.02 0.00 0.00 177.57 178.17 1sj6 h THR 25 N -0.27 1.17 0.89 2.57 1.35 -1.46 -1.49 112.91 115.67 1sj6 h THR 25 Ca -0.01 -0.78 -0.04 0.00 -0.55 0.00 0.00 66.41 65.03 1sj6 h THR 25 Cb 0.24 1.25 0.01 0.00 -1.73 0.00 0.00 68.15 67.92 1sj6 h THR 25 CO 0.01 0.24 -0.43 -0.09 -0.25 0.00 0.00 175.52 175.00 1sj6 h ARG 26 N 0.18 -1.15 -0.42 4.72 2.43 -0.71 0.76 114.38 120.19 1sj6 h ARG 26 Ca 0.04 0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1sj6 h ARG 26 Cb 0.38 0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 1sj6 h ARG 26 CO 0.02 -0.76 0.21 0.82 -1.51 0.00 0.00 179.97 178.75 1sj6 h ILE 27 N -1.22 1.18 -0.18 1.20 2.04 -1.32 -0.12 117.51 119.09 1sj6 h ILE 27 Ca -0.12 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 1sj6 h ILE 27 Cb 0.92 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1sj6 h ILE 27 CO 0.20 0.19 0.08 -0.07 0.00 0.00 0.00 178.15 178.55 1sj6 h LEU 28 N 0.55 0.24 0.52 1.44 3.38 -1.24 -0.76 115.31 119.44 1sj6 h LEU 28 Ca 0.15 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1sj6 h LEU 28 Cb 0.11 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.81 1sj6 h LEU 28 CO -0.02 0.32 -0.25 -0.78 0.09 0.00 0.00 178.44 177.80 1sj6 h ASP 29 N 0.15 -0.59 -0.20 -0.43 1.82 0.69 -2.12 116.42 115.73 1sj6 h ASP 29 Ca 0.06 0.02 0.06 0.00 -0.39 0.00 0.00 57.03 56.78 1sj6 h ASP 29 Cb 0.15 0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 1sj6 h ASP 29 CO -0.01 -0.42 0.15 1.23 -1.61 0.00 0.00 179.24 178.58 1sj6 h GLY 30 N -0.70 0.00 2.00 -0.78 0.00 -1.00 0.16 103.07 102.75 1sj6 h GLY 30 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1sj6 h GLY 30 CO 0.12 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.94 1sj6 n LYS 31 N -4.38 0.14 -3.32 4.80 5.02 -0.30 -4.92 118.16 115.20 1sj6 n LYS 31 Ca 0.02 0.18 -0.17 0.00 -2.02 0.00 0.00 58.31 56.32 1sj6 n LYS 31 Cb 0.29 -1.69 0.07 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.94 -6.18 -3.15 1.97 5.12 0.56 -5.01 116.66 108.03 1sj6 n ARG 32 Ca 0.05 0.71 -0.26 0.00 -1.93 0.00 0.00 57.85 56.43 1sj6 n ARG 32 Cb 0.35 -5.37 -0.01 0.00 -1.16 0.00 0.00 32.46 26.27 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 -3.29 5.03 -0.91 0.55 1.01 -1.07 -5.01 121.20 117.51 1sj6 s ILE 33 Ca 0.24 -0.14 -0.02 0.00 0.00 0.00 0.00 60.65 60.73 1sj6 s ILE 33 Cb -0.11 -3.83 0.31 0.00 0.01 0.00 0.00 42.46 38.84 1sj6 s ILE 33 CO 0.62 -0.59 2.03 0.00 0.00 0.00 0.00 174.94 177.00 1sj6 n GLN 34 N -1.72 3.80 -2.27 2.79 1.13 -1.26 -4.91 117.38 114.94 1sj6 n GLN 34 Ca -0.02 -3.85 -0.28 0.00 -1.94 0.00 0.00 57.00 50.90 1sj6 n GLN 34 Cb 0.55 -2.35 0.02 0.00 0.11 0.00 0.00 30.24 28.57 1sj6 n GLN 34 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 1sj6 s TYR 35 N -3.87 3.43 0.57 1.08 1.13 -1.26 -4.45 117.35 113.98 1sj6 s TYR 35 Ca 0.48 0.89 0.06 0.00 -1.41 0.00 0.00 57.07 57.09 1sj6 s TYR 35 Cb 0.33 -2.67 0.06 0.00 -1.10 0.00 0.00 41.96 38.59 1sj6 s TYR 35 CO -0.29 -0.71 0.52 -1.14 -2.51 0.00 0.00 175.55 171.43 1sj6 s GLN 36 N -5.02 2.23 -0.42 -3.49 2.00 0.29 -4.96 119.66 110.28 1sj6 s GLN 36 Ca 0.53 -1.99 0.04 0.00 -2.00 0.00 0.00 55.36 51.95 1sj6 s GLN 36 Cb -0.11 -2.22 0.17 0.00 0.80 0.00 0.00 33.01 31.66 1sj6 s GLN 36 CO 0.48 -0.76 0.39 -0.11 -0.50 0.00 0.00 175.29 174.79 1sj6 n LEU 37 N -1.94 -0.83 -4.52 3.68 0.00 -1.25 -2.93 117.00 109.21 1sj6 n LEU 37 Ca 0.03 -4.21 -0.42 0.00 0.00 0.00 0.00 56.01 51.41 1sj6 n LEU 37 Cb 0.64 0.58 -0.00 0.00 0.00 0.00 0.00 43.42 44.63 1sj6 n LEU 37 CO 0.39 1.87 2.00 1.33 0.00 0.00 0.00 177.39 182.98 1sj6 n VAL 38 N 2.81 3.77 -2.63 1.96 0.24 0.28 -4.88 118.33 119.89 1sj6 n VAL 38 Ca 0.28 -3.88 -0.42 0.00 -2.04 0.00 0.00 64.34 58.28 1sj6 n VAL 38 Cb 0.49 -2.36 -0.03 0.00 -1.47 0.00 0.00 33.84 30.48 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 4.31 7.19 0.30 -1.34 1.47 -1.26 -3.25 116.67 124.09 1sj6 s ASP 39 Ca 0.54 1.59 0.16 0.00 1.18 0.00 0.00 52.55 56.02 1sj6 s ASP 39 Cb 0.04 -2.56 0.21 0.00 -0.34 0.00 0.00 42.92 40.28 1sj6 s ASP 39 CO 0.07 -0.50 1.51 0.16 0.68 0.00 0.00 175.17 177.09 1sj6 h ILE 40 N 5.11 0.85 -0.06 2.11 3.07 -1.66 -3.19 117.51 123.74 1sj6 h ILE 40 Ca -0.31 -2.05 0.02 0.00 1.55 0.00 0.00 64.86 64.07 1sj6 h ILE 40 Cb 1.14 2.31 -0.00 0.00 -0.27 0.00 0.00 36.82 40.01 1sj6 h ILE 40 CO 0.87 0.46 0.05 -1.28 -1.05 0.00 0.00 178.15 177.20 1sj6 h SER 41 N 0.00 0.00 0.50 2.16 0.87 -1.92 -2.93 113.55 112.23 1sj6 h SER 41 Ca -0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1sj6 h SER 41 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1sj6 h SER 41 CO 0.06 0.00 -0.24 -0.61 -0.53 0.00 0.00 176.83 175.51 1sj6 h GLN 42 N 0.00 -0.64 -5.35 2.24 -0.00 -1.89 -3.44 115.11 106.03 1sj6 h GLN 42 Ca 0.03 0.04 -0.65 0.00 -0.00 0.00 0.00 58.65 58.07 1sj6 h GLN 42 Cb 0.12 0.15 -0.24 0.00 0.00 0.00 0.00 27.48 27.51 1sj6 h GLN 42 CO -0.00 -0.43 -0.72 0.34 0.00 0.00 0.00 178.83 178.02 1sj6 s ASP 43 N -3.64 4.40 0.64 -0.69 -1.08 -1.10 -4.99 116.67 110.21 1sj6 s ASP 43 Ca -0.10 -0.22 0.42 0.00 -0.52 0.00 0.00 52.55 52.12 1sj6 s ASP 43 Cb 0.01 -1.67 2.23 0.00 -1.46 0.00 0.00 42.92 42.03 1sj6 s ASP 43 CO 0.29 0.18 2.31 -0.55 0.52 0.00 0.00 175.17 177.92 1sj6 h ASN 44 N 6.63 0.00 0.09 -0.34 -1.07 -1.85 -1.69 115.58 117.36 1sj6 h ASN 44 Ca -0.29 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 55.99 1sj6 h ASN 44 Cb 1.20 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.44 1sj6 h ASN 44 CO 0.59 0.00 -0.30 0.00 0.07 0.00 0.00 177.43 177.80 1sj6 h ALA 45 N 2.00 1.20 -0.00 4.14 0.00 -1.94 -2.56 119.26 122.09 1sj6 h ALA 45 Ca -0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 1sj6 h ALA 45 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1sj6 h ALA 45 CO 0.00 0.53 -0.58 -0.07 0.00 0.00 0.00 179.25 179.12 1sj6 h LEU 46 N 0.28 0.00 -0.11 0.00 3.38 -1.56 -0.92 115.31 116.38 1sj6 h LEU 46 Ca 0.04 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1sj6 h LEU 46 Cb 0.67 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1sj6 h LEU 46 CO 0.05 0.59 -0.02 0.03 0.09 0.00 0.00 178.44 179.17 1sj6 h ARG 47 N 0.00 0.22 -0.01 1.13 3.08 -1.50 0.98 114.38 118.28 1sj6 h ARG 47 Ca -0.01 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1sj6 h ARG 47 Cb 1.03 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1sj6 h ARG 47 CO 0.08 0.51 0.00 -3.47 -1.07 0.00 0.00 179.97 176.01 1sj6 n ASP 48 N -4.76 0.79 -0.10 7.04 2.03 -1.07 -2.60 116.55 117.87 1sj6 n ASP 48 Ca -0.06 -1.26 -0.11 0.00 0.52 0.00 0.00 54.79 53.88 1sj6 n ASP 48 Cb 0.24 -0.00 -0.15 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 -0.38 0.75 0.02 -0.67 4.07 -0.35 -4.12 120.64 119.95 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 0.24 -1.51 -0.14 0.00 -0.06 0.00 0.00 31.44 29.97 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 0.23 -0.21 5.31 4.05 -0.83 -2.84 114.93 120.64 1sj6 h MET 50 Ca -0.54 -0.40 0.06 0.00 -0.28 0.00 0.00 59.70 58.54 1sj6 h MET 50 Cb 2.19 0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 33.13 1sj6 h MET 50 CO 0.02 1.19 0.15 0.00 0.23 0.00 0.00 176.91 178.50 1sj6 h ARG 51 N -0.44 0.00 0.00 0.39 -0.00 -1.72 0.86 114.38 113.46 1sj6 h ARG 51 Ca -0.20 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.28 1sj6 h ARG 51 Cb 1.60 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.57 1sj6 h ARG 51 CO 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 179.97 180.05 1sj6 h ALA 52 N 1.89 -0.00 0.00 0.04 0.00 -1.72 -2.80 119.26 116.67 1sj6 h ALA 52 Ca 0.10 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1sj6 h ALA 52 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1sj6 h ALA 52 CO -0.00 -0.00 -0.29 -0.07 0.00 0.00 0.00 179.25 178.88 1sj6 h LEU 53 N -1.00 0.00 -0.45 0.00 3.38 -1.25 -2.21 115.31 113.78 1sj6 h LEU 53 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sj6 h LEU 53 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1sj6 h LEU 53 CO 0.00 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.82 1sj6 h ALA 54 N 1.71 1.00 -5.03 1.53 0.00 0.62 -3.46 119.26 115.62 1sj6 h ALA 54 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 1sj6 h ALA 54 Cb 0.55 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.47 1sj6 h ALA 54 CO 0.04 0.00 -0.60 0.41 0.00 0.00 0.00 179.25 179.09 1sj6 n GLY 55 N 0.76 -0.26 3.15 0.00 0.00 -0.83 -4.99 105.19 103.02 1sj6 n GLY 55 Ca 0.03 0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.16 1sj6 n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sj6 s ASN 56 N -3.70 -0.01 -0.13 1.61 4.22 -1.07 -5.03 114.94 110.83 1sj6 s ASN 56 Ca 0.24 0.01 0.03 0.00 -2.14 0.00 0.00 52.86 51.00 1sj6 s ASN 56 Cb -0.11 1.01 0.27 0.00 1.28 0.00 0.00 41.25 43.70 1sj6 s ASN 56 CO 0.61 -0.00 1.16 -0.81 -2.04 0.00 0.00 177.10 176.01 1sj6 n PRO 57 N 5.17 1.89 0.00 3.55 -0.05 -1.26 -3.42 135.00 140.89 1sj6 n PRO 57 Ca -0.09 -1.11 0.00 0.00 -0.05 0.00 0.00 63.50 62.26 1sj6 n PRO 57 Cb 0.55 -1.59 0.00 0.00 -0.05 0.00 0.00 33.50 32.42 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 0.05 0.50 0.00 0.54 5.02 -1.26 -5.09 118.16 117.92 1sj6 n LYS 58 Ca 0.16 -0.59 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 1sj6 n LYS 58 Cb 0.77 -0.69 0.00 0.00 -0.02 0.00 0.00 35.03 35.09 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 -0.11 0.00 -2.42 7.82 0.00 -1.22 -5.08 120.51 119.50 1sj6 n ALA 59 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1sj6 n ALA 59 Cb 0.30 0.00 -0.08 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 -0.54 0.16 0.24 0.00 -4.23 -1.26 -5.06 115.64 104.95 1sj6 s THR 60 Ca 0.00 -1.37 -0.05 0.00 -1.18 0.00 0.00 61.69 59.09 1sj6 s THR 60 Cb 0.00 -1.40 0.38 0.00 1.34 0.00 0.00 72.50 72.82 1sj6 s THR 60 CO 0.00 -0.75 1.31 -2.65 -0.54 0.00 0.00 174.62 171.99 1sj6 n PRO 61 N -0.01 -0.07 -1.58 3.99 -0.01 -1.26 -4.06 135.00 131.99 1sj6 n PRO 61 Ca -0.15 1.30 -0.27 0.00 -0.01 0.00 0.00 63.50 64.37 1sj6 n PRO 61 Cb 0.62 -1.96 -0.05 0.00 -0.01 0.00 0.00 33.50 32.10 1sj6 n PRO 61 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 175.50 173.35 1sj6 s PRO 62 N -6.00 1.91 -0.28 0.52 0.02 -1.25 -2.97 135.00 126.95 1sj6 s PRO 62 Ca -0.12 0.99 0.01 0.00 0.02 0.00 0.00 61.00 61.89 1sj6 s PRO 62 Cb 0.23 -4.67 0.15 0.00 0.02 0.00 0.00 34.50 30.23 1sj6 s PRO 62 CO 0.65 -3.75 0.39 -0.65 -0.33 0.00 0.00 177.00 173.31 1sj6 s GLN 63 N 8.48 0.39 0.12 5.54 -1.52 -1.22 -3.65 119.66 127.80 1sj6 s GLN 63 Ca 0.94 0.18 -0.26 0.00 -1.95 0.00 0.00 55.36 54.27 1sj6 s GLN 63 Cb -0.15 -0.39 -0.07 0.00 -0.22 0.00 0.00 33.01 32.18 1sj6 s GLN 63 CO 0.18 -0.95 0.81 0.42 -0.25 0.00 0.00 175.29 175.50 1sj6 s ILE 64 N 2.52 4.50 -0.01 1.08 1.01 -1.12 -1.07 121.20 128.10 1sj6 s ILE 64 Ca 0.10 1.76 0.02 0.00 0.00 0.00 0.00 60.65 62.53 1sj6 s ILE 64 Cb -0.13 -4.17 -0.00 0.00 0.01 0.00 0.00 42.46 38.17 1sj6 s ILE 64 CO -0.28 0.43 -0.07 -0.69 0.00 0.00 0.00 174.94 174.33 1sj6 s VAL 65 N -0.59 0.63 -0.11 2.92 1.01 0.24 -2.71 120.40 121.78 1sj6 s VAL 65 Ca 0.39 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.07 1sj6 s VAL 65 Cb -0.22 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.62 1sj6 s VAL 65 CO 0.26 0.19 -0.12 0.21 0.00 0.00 0.00 175.10 175.64 1sj6 s ASN 66 N 0.04 2.33 -1.69 3.32 3.04 -1.16 -0.66 114.94 120.17 1sj6 s ASN 66 Ca -0.00 -0.39 0.00 0.00 0.04 0.00 0.00 52.86 52.51 1sj6 s ASN 66 Cb -0.06 -1.01 0.00 0.00 -1.54 0.00 0.00 41.25 38.65 1sj6 s ASN 66 CO -0.00 -0.04 0.00 0.61 -3.04 0.00 0.00 177.10 174.63 1sj6 n GLY 67 N 4.48 0.13 2.33 1.21 0.00 -1.26 -1.88 105.19 110.20 1sj6 n GLY 67 Ca -0.17 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.43 -3.66 -4.36 1.61 -0.08 -1.26 -5.04 116.55 102.34 1sj6 n ASP 68 Ca -0.21 -0.13 -0.21 0.00 -1.51 0.00 0.00 54.79 52.72 1sj6 n ASP 68 Cb 0.65 -2.57 -0.11 0.00 2.34 0.00 0.00 41.12 41.44 1sj6 n ASP 68 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1sj6 s GLN 69 N -5.06 1.35 -0.84 -0.67 -0.21 -0.79 -5.08 119.66 108.37 1sj6 s GLN 69 Ca 0.14 -1.50 -0.26 0.00 0.02 0.00 0.00 55.36 53.76 1sj6 s GLN 69 Cb -0.06 -1.36 0.04 0.00 1.00 0.00 0.00 33.01 32.63 1sj6 s GLN 69 CO 0.17 0.26 1.35 -0.47 -2.12 0.00 0.00 175.29 174.49 1sj6 s TYR 70 N -2.31 2.35 -0.07 0.91 5.04 -1.26 -2.96 117.35 119.06 1sj6 s TYR 70 Ca 0.19 -0.30 -0.01 0.00 -2.44 0.00 0.00 57.07 54.51 1sj6 s TYR 70 Cb -0.05 -4.64 -0.00 0.00 0.35 0.00 0.00 41.96 37.62 1sj6 s TYR 70 CO 0.08 -2.03 0.03 0.00 -1.34 0.00 0.00 175.55 172.29 1sj6 n GLY 72 N 1.76 -0.88 0.00 0.00 0.00 -1.10 -5.04 105.19 99.93 1sj6 n GLY 72 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.80 116.55 119.82 1sj6 n ASP 73 Ca 0.00 -0.47 -0.11 0.00 -0.50 0.00 0.00 54.79 53.72 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 0.47 -0.67 0.11 2.11 3.20 -1.97 -0.69 116.97 119.52 1sj6 h TYR 74 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.91 1sj6 h TYR 74 Cb 0.00 0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 1sj6 h TYR 74 CO 0.00 -0.34 -0.45 1.49 -1.64 0.00 0.00 178.16 177.22 1sj6 h GLU 75 N -0.36 -0.62 0.16 1.82 4.22 -1.97 0.16 114.58 117.99 1sj6 h GLU 75 Ca 0.08 0.04 0.01 0.00 0.08 0.00 0.00 59.36 59.57 1sj6 h GLU 75 Cb 0.47 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 1sj6 h GLU 75 CO -0.26 -0.42 -0.50 -0.07 -2.18 0.00 0.00 179.01 175.59 1sj6 h LEU 76 N -0.65 -1.48 -0.50 1.64 4.07 -1.93 0.73 115.31 117.19 1sj6 h LEU 76 Ca -0.01 0.15 0.10 0.00 0.08 0.00 0.00 57.88 58.20 1sj6 h LEU 76 Cb 0.65 0.54 -0.10 0.00 1.08 0.00 0.00 40.66 42.83 1sj6 h LEU 76 CO -0.24 -0.54 -0.28 0.15 -1.08 0.00 0.00 178.44 176.45 1sj6 h PHE 77 N -0.74 -0.74 -0.16 1.13 3.04 -1.01 0.27 116.94 118.73 1sj6 h PHE 77 Ca -0.01 0.06 -0.04 0.00 3.98 0.00 0.00 57.97 61.95 1sj6 h PHE 77 Cb 0.73 0.40 -0.01 0.00 2.56 0.00 0.00 35.95 39.63 1sj6 h PHE 77 CO -0.42 -0.35 -0.10 0.28 -2.02 0.00 0.00 178.31 175.70 1sj6 h VAL 78 N -0.16 1.16 0.00 1.41 2.07 -0.28 -1.04 116.25 119.41 1sj6 h VAL 78 Ca 0.22 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1sj6 h VAL 78 Cb 0.51 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1sj6 h VAL 78 CO -0.59 0.22 0.00 1.21 0.02 0.00 0.00 177.57 178.43 1sj6 n GLU 79 N -4.30 0.49 -0.11 1.57 2.13 0.25 -3.52 120.64 117.16 1sj6 n GLU 79 Ca -0.01 0.03 -0.20 0.00 0.66 0.00 0.00 57.16 57.64 1sj6 n GLU 79 Cb 0.25 -1.50 -0.08 0.00 0.27 0.00 0.00 31.44 30.38 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 -1.22 0.90 -0.10 4.31 0.00 0.04 -4.33 120.51 120.11 1sj6 n ALA 80 Ca 0.15 -0.76 0.22 0.00 0.00 0.00 0.00 53.44 53.05 1sj6 n ALA 80 Cb 0.19 -0.12 0.66 0.00 0.00 0.00 0.00 19.45 20.18 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 0.68 -0.31 0.00 2.07 -1.59 1.04 116.25 117.13 1sj6 h VAL 81 Ca -0.37 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.14 1sj6 h VAL 81 Cb 1.25 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 1sj6 h VAL 81 CO -0.22 0.02 0.15 1.05 0.02 0.00 0.00 177.57 178.58 1sj6 h GLU 82 N 0.09 0.30 -0.66 1.57 4.11 -1.75 -2.55 114.58 115.68 1sj6 h GLU 82 Ca 0.34 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.75 1sj6 h GLU 82 Cb 1.24 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1sj6 h GLU 82 CO -0.03 0.20 0.00 0.94 0.07 0.00 0.00 179.01 180.19 1sj6 n GLN 83 N -4.97 2.68 -1.15 1.06 7.27 -0.61 -4.91 117.38 116.76 1sj6 n GLN 83 Ca -0.00 -2.60 -0.05 0.00 0.07 0.00 0.00 57.00 54.42 1sj6 n GLN 83 Cb 0.08 -1.56 -0.02 0.00 2.41 0.00 0.00 30.24 31.15 1sj6 n GLN 83 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1sj6 n ASN 84 N 1.64 -3.63 0.19 1.69 3.02 -0.03 -4.90 115.26 113.25 1sj6 n ASN 84 Ca 0.24 0.13 0.12 0.00 -0.03 0.00 0.00 54.58 55.03 1sj6 n ASN 84 Cb 0.62 -1.58 0.13 0.00 -0.61 0.00 0.00 39.78 38.35 1sj6 n ASN 84 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1sj6 h THR 85 N 0.00 0.00 -0.63 3.41 2.02 0.76 -3.36 112.91 115.10 1sj6 h THR 85 Ca -0.11 -0.99 0.22 0.00 0.77 0.00 0.00 66.41 66.30 1sj6 h THR 85 Cb 0.34 1.88 -0.12 0.00 -1.74 0.00 0.00 68.15 68.51 1sj6 h THR 85 CO 0.15 0.00 0.16 -0.11 0.37 0.00 0.00 175.52 176.09 1sj6 n LEU 86 N -3.00 0.06 0.21 2.58 7.94 -0.93 0.89 117.00 124.74 1sj6 n LEU 86 Ca 0.03 1.07 -0.15 0.00 -1.11 0.00 0.00 56.01 55.84 1sj6 n LEU 86 Cb 0.53 -0.45 -0.08 0.00 0.53 0.00 0.00 43.42 43.96 1sj6 n LEU 86 CO 0.35 -1.13 0.63 -0.61 -1.11 0.00 0.00 177.39 175.52 1sj6 h GLN 87 N 0.00 -0.69 -0.67 1.96 4.15 -1.90 0.99 115.11 118.94 1sj6 h GLN 87 Ca 0.45 0.05 0.19 0.00 0.77 0.00 0.00 58.65 60.11 1sj6 h GLN 87 Cb 1.07 0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.89 1sj6 h GLN 87 CO -0.55 -0.46 0.80 1.49 -1.93 0.00 0.00 178.83 178.18 1sj6 h GLU 88 N -0.72 0.00 0.00 1.69 4.22 0.21 1.44 114.58 121.42 1sj6 h GLU 88 Ca -0.02 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.26 1sj6 h GLU 88 Cb 0.66 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1sj6 h GLU 88 CO -0.09 0.00 -2.16 0.34 -2.18 0.00 0.00 179.01 174.92 1sj6 n PHE 89 N -3.44 0.00 -0.03 0.92 -0.00 -0.24 -3.92 117.46 110.75 1sj6 n PHE 89 Ca 0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.56 1sj6 n PHE 89 Cb 1.03 -0.72 -0.01 0.00 -0.00 0.00 0.00 39.48 39.78 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 -2.47 0.68 -0.69 -2.13 4.77 0.33 -4.72 117.00 112.75 1sj6 n LEU 90 Ca -0.17 0.12 0.12 0.00 -0.03 0.00 0.00 56.01 56.05 1sj6 n LEU 90 Cb 0.83 -0.58 0.18 0.00 -2.33 0.00 0.00 43.42 41.52 1sj6 n LEU 90 CO 0.44 -0.42 0.60 0.29 -1.33 0.00 0.00 177.39 176.97 1sj6 n LYS 91 N -3.18 1.80 -2.21 3.23 5.02 0.21 -4.95 118.16 118.07 1sj6 n LYS 91 Ca -0.05 -1.39 -0.08 0.00 -2.02 0.00 0.00 58.31 54.77 1sj6 n LYS 91 Cb 0.18 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.71 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 0.61 -0.71 -2.13 -0.35 7.99 0.42 -4.79 117.00 118.04 1sj6 n LEU 92 Ca 0.14 0.28 -0.25 0.00 -0.01 0.00 0.00 56.01 56.17 1sj6 n LEU 92 Cb 0.50 -1.67 0.13 0.00 -0.11 0.00 0.00 43.42 42.26 1sj6 n LEU 92 CO 0.20 -0.15 1.27 0.00 -1.51 0.00 0.00 177.39 177.19 1sj6 n ALA 93 N -1.87 5.53 -1.81 -1.18 0.00 -1.26 -4.28 120.51 115.64 1sj6 n ALA 93 Ca -0.09 -2.73 -0.01 0.00 0.00 0.00 0.00 53.44 50.61 1sj6 n ALA 93 Cb 0.51 -1.50 0.15 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.83 3.00 0.00 0.00 0.00 -1.26 -4.89 117.00 113.03 1sj6 n LEU 94 Ca 0.54 -3.89 0.13 0.00 0.00 0.00 0.00 56.01 52.78 1sj6 n LEU 94 Cb 1.20 -0.41 0.76 0.00 0.00 0.00 0.00 43.42 44.98 1sj6 n LEU 94 CO 0.60 1.47 0.94 -1.84 0.00 0.00 0.00 177.39 178.55