#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sj6 s SER 2 N 0.00 3.93 0.29 6.12 0.15 -1.26 -5.00 113.70 117.93 1sj6 s SER 2 Ca 0.00 -1.71 -0.20 0.00 0.70 0.00 0.00 55.95 54.74 1sj6 s SER 2 Cb 0.00 -0.82 0.02 0.00 -1.71 0.00 0.00 66.02 63.51 1sj6 s SER 2 CO 0.00 -0.40 0.72 -0.83 1.20 0.00 0.00 173.24 173.93 1sj6 s GLY 3 N 1.54 -0.02 -0.12 9.45 0.00 -1.26 -5.08 107.32 111.83 1sj6 s GLY 3 Ca 0.11 -0.38 -0.17 0.00 0.00 0.00 0.00 44.72 44.28 1sj6 s GLY 3 CO -0.23 -0.13 0.43 1.08 0.00 0.00 0.00 173.10 174.25 1sj6 s LEU 4 N -2.94 4.28 -0.43 0.66 1.02 -1.26 -2.89 118.68 117.12 1sj6 s LEU 4 Ca 0.12 0.76 -0.07 0.00 0.02 0.00 0.00 54.13 54.96 1sj6 s LEU 4 Cb -0.06 -2.62 0.10 0.00 0.02 0.00 0.00 46.19 43.64 1sj6 s LEU 4 CO 0.08 0.04 0.26 -0.13 0.02 0.00 0.00 176.35 176.62 1sj6 s ARG 5 N 0.48 2.33 -0.27 1.70 0.52 -0.10 -2.60 118.95 121.01 1sj6 s ARG 5 Ca 0.24 -1.70 -0.20 0.00 -0.52 0.00 0.00 55.73 53.55 1sj6 s ARG 5 Cb -0.15 -3.74 -0.02 0.00 0.52 0.00 0.00 34.95 31.56 1sj6 s ARG 5 CO 0.09 -1.08 0.61 0.08 0.02 0.00 0.00 175.30 175.03 1sj6 s VAL 6 N 1.29 4.98 0.41 3.52 1.01 -1.19 -0.58 120.40 129.84 1sj6 s VAL 6 Ca 0.06 0.99 -0.22 0.00 0.00 0.00 0.00 61.98 62.81 1sj6 s VAL 6 Cb -0.24 -3.95 -0.11 0.00 0.00 0.00 0.00 36.38 32.09 1sj6 s VAL 6 CO -0.01 -0.03 0.95 -0.31 0.00 0.00 0.00 175.10 175.69 1sj6 s TYR 7 N 2.52 3.38 0.38 5.22 2.02 0.19 -0.55 117.35 130.51 1sj6 s TYR 7 Ca 0.25 1.64 -0.08 0.00 -0.37 0.00 0.00 57.07 58.52 1sj6 s TYR 7 Cb -0.15 -2.87 0.03 0.00 -0.40 0.00 0.00 41.96 38.57 1sj6 s TYR 7 CO 0.10 -0.05 0.63 -1.12 -1.57 0.00 0.00 175.55 173.53 1sj6 s SER 8 N -2.07 0.59 -0.29 2.29 0.01 -1.04 -3.34 113.70 109.85 1sj6 s SER 8 Ca 0.60 -1.39 0.01 0.00 1.31 0.00 0.00 55.95 56.48 1sj6 s SER 8 Cb -0.11 0.76 0.09 0.00 0.21 0.00 0.00 66.02 66.97 1sj6 s SER 8 CO 0.15 -1.51 0.05 0.28 0.41 0.00 0.00 173.24 172.62 1sj6 s THR 9 N -2.58 1.33 0.46 1.44 -1.32 -1.26 -2.84 115.64 110.87 1sj6 s THR 9 Ca 0.24 -1.51 0.12 0.00 -1.21 0.00 0.00 61.69 59.33 1sj6 s THR 9 Cb -0.03 -1.88 0.27 0.00 -1.51 0.00 0.00 72.50 69.36 1sj6 s THR 9 CO 0.17 -0.48 2.09 -1.28 -2.21 0.00 0.00 174.62 172.91 1sj6 h SER 10 N 7.96 0.25 -3.29 8.08 0.87 -1.93 -3.35 113.55 122.13 1sj6 h SER 10 Ca -0.13 -0.01 -0.60 0.00 -1.23 0.00 0.00 61.79 59.83 1sj6 h SER 10 Cb 1.04 -0.06 -0.40 0.00 -0.44 0.00 0.00 62.40 62.54 1sj6 h SER 10 CO 0.46 0.18 -0.75 -0.69 -0.53 0.00 0.00 176.83 175.50 1sj6 s VAL 11 N -5.30 1.14 0.33 2.23 1.01 -1.26 -5.12 120.40 113.44 1sj6 s VAL 11 Ca -0.07 -1.84 0.08 0.00 0.00 0.00 0.00 61.98 60.15 1sj6 s VAL 11 Cb 0.17 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1sj6 s VAL 11 CO 0.71 -0.75 0.11 0.28 0.00 0.00 0.00 175.10 175.45 1sj6 s THR 12 N 1.15 3.02 -0.08 3.92 -1.32 -1.26 -5.05 115.64 116.02 1sj6 s THR 12 Ca 0.13 -1.75 0.07 0.00 -1.21 0.00 0.00 61.69 58.93 1sj6 s THR 12 Cb -0.20 -2.95 -0.10 0.00 -1.51 0.00 0.00 72.50 67.74 1sj6 s THR 12 CO -0.15 -0.20 0.03 0.61 -2.21 0.00 0.00 174.62 172.69 1sj6 n GLY 13 N -1.10 -0.41 3.27 6.08 0.00 -1.26 -5.04 105.19 106.74 1sj6 n GLY 13 Ca -0.04 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.32 -3.47 -0.00 1.61 7.64 -1.26 -4.98 113.62 110.85 1sj6 n SER 14 Ca -0.14 -0.65 0.03 0.00 1.01 0.00 0.00 58.87 59.13 1sj6 n SER 14 Cb 0.77 -1.06 -0.04 0.00 -1.01 0.00 0.00 64.21 62.87 1sj6 n SER 14 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1sj6 n ARG 15 N -5.30 3.15 -0.11 1.43 0.63 -1.26 -4.60 116.66 110.59 1sj6 n ARG 15 Ca 0.10 -0.02 -0.13 0.00 -0.92 0.00 0.00 57.85 56.87 1sj6 n ARG 15 Cb 0.57 -0.95 -0.14 0.00 0.45 0.00 0.00 32.46 32.39 1sj6 n ARG 15 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1sj6 n GLU 16 N -1.37 0.69 0.18 -0.14 0.00 -1.26 -4.33 120.64 114.41 1sj6 n GLU 16 Ca 0.00 0.05 0.13 0.00 0.00 0.00 0.00 57.16 57.34 1sj6 n GLU 16 Cb 0.13 -1.52 0.68 0.00 0.00 0.00 0.00 31.44 30.74 1sj6 n GLU 16 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1sj6 h ILE 17 N 0.00 0.87 0.00 3.84 2.04 -1.98 -0.16 117.51 122.12 1sj6 h ILE 17 Ca -0.56 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.21 1sj6 h ILE 17 Cb 2.10 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 1sj6 h ILE 17 CO -0.02 0.00 -0.44 0.11 0.00 0.00 0.00 178.15 177.80 1sj6 h LYS 18 N 0.00 0.00 0.00 2.37 1.57 -1.81 -2.83 116.57 115.87 1sj6 h LYS 18 Ca 0.08 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.66 1sj6 h LYS 18 Cb 0.34 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1sj6 h LYS 18 CO -0.00 0.44 -0.94 0.77 -0.57 0.00 0.00 179.45 179.15 1sj6 h SER 19 N 0.00 0.00 0.78 0.86 0.02 -1.25 -3.01 113.55 110.94 1sj6 h SER 19 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1sj6 h SER 19 Cb 0.78 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.32 1sj6 h SER 19 CO 0.06 0.94 -0.37 1.56 -1.14 0.00 0.00 176.83 177.87 1sj6 h GLN 20 N 0.00 -1.01 -0.55 3.45 1.08 -1.21 0.32 115.11 117.19 1sj6 h GLN 20 Ca -0.01 0.07 0.02 0.00 -1.45 0.00 0.00 58.65 57.28 1sj6 h GLN 20 Cb 1.67 0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 29.30 1sj6 h GLN 20 CO 0.12 -0.66 0.37 -0.56 -0.95 0.00 0.00 178.83 177.15 1sj6 h GLN 21 N -1.19 0.65 -0.08 1.46 3.07 -1.66 0.57 115.11 117.93 1sj6 h GLN 21 Ca -0.11 -0.04 -0.17 0.00 0.09 0.00 0.00 58.65 58.42 1sj6 h GLN 21 Cb 0.82 -0.15 -0.01 0.00 0.08 0.00 0.00 27.48 28.22 1sj6 h GLN 21 CO 0.18 0.43 -0.67 1.03 0.09 0.00 0.00 178.83 179.88 1sj6 h SER 22 N 0.67 0.42 -0.10 0.06 0.87 -1.41 -2.82 113.55 111.23 1sj6 h SER 22 Ca 0.21 -0.26 -0.19 0.00 -1.23 0.00 0.00 61.79 60.32 1sj6 h SER 22 Cb 0.03 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1sj6 h SER 22 CO -0.05 0.97 -0.70 -0.08 -0.53 0.00 0.00 176.83 176.44 1sj6 h GLU 23 N 0.25 0.65 0.44 2.24 4.57 0.59 -2.50 114.58 120.82 1sj6 h GLU 23 Ca -0.02 -0.56 -0.02 0.00 -1.18 0.00 0.00 59.36 57.58 1sj6 h GLU 23 Cb 1.22 0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.94 1sj6 h GLU 23 CO 0.11 1.18 -0.25 0.28 -1.18 0.00 0.00 179.01 179.15 1sj6 h VAL 24 N 0.31 0.48 -0.14 0.32 2.07 -0.95 -2.41 116.25 115.93 1sj6 h VAL 24 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1sj6 h VAL 24 Cb 1.34 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1sj6 h VAL 24 CO 0.14 0.00 0.04 0.74 0.02 0.00 0.00 177.57 178.51 1sj6 h THR 25 N -0.65 1.07 -0.75 2.57 2.02 -1.60 -1.88 112.91 113.70 1sj6 h THR 25 Ca -0.05 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 66.88 1sj6 h THR 25 Cb 0.52 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 1sj6 h THR 25 CO 0.07 0.09 0.49 -0.09 0.37 0.00 0.00 175.52 176.45 1sj6 h ARG 26 N 0.20 0.97 0.08 6.66 2.43 -0.98 0.59 114.38 124.33 1sj6 h ARG 26 Ca 0.05 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1sj6 h ARG 26 Cb 0.08 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1sj6 h ARG 26 CO -0.00 0.64 -0.04 0.82 -1.51 0.00 0.00 179.97 179.88 1sj6 h ILE 27 N 1.00 1.17 -0.43 1.20 2.04 -0.97 -2.53 117.51 118.98 1sj6 h ILE 27 Ca 0.28 -1.40 0.02 0.00 1.00 0.00 0.00 64.86 64.76 1sj6 h ILE 27 Cb -0.09 2.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1sj6 h ILE 27 CO -0.07 0.32 0.26 -0.07 0.00 0.00 0.00 178.15 178.59 1sj6 h LEU 28 N -0.80 0.43 0.02 1.44 3.38 -1.30 -1.57 115.31 116.91 1sj6 h LEU 28 Ca -0.01 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1sj6 h LEU 28 Cb 0.60 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1sj6 h LEU 28 CO 0.02 0.31 -0.11 -0.78 0.09 0.00 0.00 178.44 177.97 1sj6 h ASP 29 N 0.53 -0.31 -0.09 -0.43 3.58 0.10 -1.61 116.42 118.20 1sj6 h ASP 29 Ca 0.17 0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.69 1sj6 h ASP 29 Cb -0.01 0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.17 1sj6 h ASP 29 CO -0.07 -0.16 0.06 1.23 -2.88 0.00 0.00 179.24 177.43 1sj6 h GLY 30 N -0.19 0.00 1.79 -0.78 0.00 -1.22 0.13 103.07 102.80 1sj6 h GLY 30 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1sj6 h GLY 30 CO -0.10 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.72 1sj6 n LYS 31 N -4.40 0.20 -3.34 4.80 5.02 -0.61 -4.92 118.16 114.91 1sj6 n LYS 31 Ca -0.01 0.02 -0.18 0.00 -2.02 0.00 0.00 58.31 56.12 1sj6 n LYS 31 Cb 0.17 -1.50 0.07 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 -1.40 -6.30 -2.66 1.97 5.12 0.46 -5.00 116.66 108.86 1sj6 n ARG 32 Ca 0.10 0.73 -0.28 0.00 -1.93 0.00 0.00 57.85 56.47 1sj6 n ARG 32 Cb 0.28 -5.42 -0.01 0.00 -1.16 0.00 0.00 32.46 26.15 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 4.88 -0.58 0.55 1.01 -1.07 -5.02 121.20 117.68 1sj6 s ILE 33 Ca 0.24 0.31 0.03 0.00 0.00 0.00 0.00 60.65 61.23 1sj6 s ILE 33 Cb -0.11 -3.84 0.39 0.00 0.01 0.00 0.00 42.46 38.92 1sj6 s ILE 33 CO 0.63 -0.78 1.38 0.00 0.00 0.00 0.00 174.94 176.16 1sj6 n GLN 34 N -2.06 3.28 -3.45 2.79 0.00 -1.26 -4.91 117.38 111.78 1sj6 n GLN 34 Ca 0.01 -4.26 -0.24 0.00 0.00 0.00 0.00 57.00 52.51 1sj6 n GLN 34 Cb 0.55 -2.26 -0.01 0.00 0.00 0.00 0.00 30.24 28.51 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 -3.71 3.49 0.68 2.61 1.13 -1.26 -4.89 117.35 115.40 1sj6 s TYR 35 Ca 0.49 0.33 0.04 0.00 -1.41 0.00 0.00 57.07 56.52 1sj6 s TYR 35 Cb 0.40 -1.87 0.13 0.00 -1.10 0.00 0.00 41.96 39.51 1sj6 s TYR 35 CO -0.25 0.17 0.93 0.00 -2.51 0.00 0.00 175.55 173.89 1sj6 n GLN 36 N -1.64 0.20 -3.67 -3.49 0.00 -1.07 -5.04 117.38 102.67 1sj6 n GLN 36 Ca -0.05 -2.96 -0.29 0.00 0.00 0.00 0.00 57.00 53.69 1sj6 n GLN 36 Cb 0.56 -0.48 -0.15 0.00 0.00 0.00 0.00 30.24 30.17 1sj6 n GLN 36 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1sj6 s LEU 37 N 0.00 1.64 -1.30 2.61 2.96 -1.26 -3.17 118.68 120.15 1sj6 s LEU 37 Ca 0.65 -1.50 -0.18 0.00 -0.22 0.00 0.00 54.13 52.88 1sj6 s LEU 37 Cb -0.04 -0.68 0.06 0.00 0.50 0.00 0.00 46.19 46.03 1sj6 s LEU 37 CO 0.42 -0.42 1.76 1.33 -1.32 0.00 0.00 176.35 178.13 1sj6 n VAL 38 N 4.99 3.88 -2.58 1.68 0.24 0.29 -4.92 118.33 121.90 1sj6 n VAL 38 Ca -0.04 -4.01 -0.43 0.00 -2.04 0.00 0.00 64.34 57.82 1sj6 n VAL 38 Cb 0.42 -2.36 -0.02 0.00 -1.47 0.00 0.00 33.84 30.42 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 4.25 6.74 0.00 -1.34 1.01 -1.26 -3.22 116.67 122.84 1sj6 s ASP 39 Ca 0.54 0.80 0.20 0.00 0.71 0.00 0.00 52.55 54.80 1sj6 s ASP 39 Cb 0.04 -2.55 0.95 0.00 1.01 0.00 0.00 42.92 42.38 1sj6 s ASP 39 CO 0.08 -1.10 1.63 2.30 0.21 0.00 0.00 175.17 178.29 1sj6 n ILE 40 N 6.41 0.49 0.15 0.77 -5.35 -1.13 -2.87 119.36 117.83 1sj6 n ILE 40 Ca 0.13 0.12 0.01 0.00 -0.27 0.00 0.00 62.75 62.74 1sj6 n ILE 40 Cb 0.48 -0.79 0.22 0.00 -1.74 0.00 0.00 39.64 37.81 1sj6 n ILE 40 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1sj6 h SER 41 N 0.00 0.00 0.77 7.28 0.02 -1.90 -3.30 113.55 116.41 1sj6 h SER 41 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1sj6 h SER 41 Cb 0.25 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.80 1sj6 h SER 41 CO 0.00 0.54 -0.37 -0.61 -1.14 0.00 0.00 176.83 175.25 1sj6 h GLN 42 N 0.00 -0.99 -5.67 3.45 -0.00 -1.90 -3.44 115.11 106.56 1sj6 h GLN 42 Ca -0.01 0.07 -0.66 0.00 -0.00 0.00 0.00 58.65 58.05 1sj6 h GLN 42 Cb 1.05 0.23 -0.19 0.00 0.00 0.00 0.00 27.48 28.56 1sj6 h GLN 42 CO 0.07 -0.65 -0.66 0.34 0.00 0.00 0.00 178.83 177.93 1sj6 s ASP 43 N -4.37 4.89 0.43 -0.69 -1.08 -1.24 -4.99 116.67 109.62 1sj6 s ASP 43 Ca -0.16 -0.03 0.30 0.00 -0.52 0.00 0.00 52.55 52.14 1sj6 s ASP 43 Cb 0.02 -1.56 1.34 0.00 -1.46 0.00 0.00 42.92 41.26 1sj6 s ASP 43 CO 0.49 0.27 1.89 0.78 0.52 0.00 0.00 175.17 179.12 1sj6 h ASN 44 N 5.96 0.00 0.60 -0.34 2.35 -1.85 -2.52 115.58 119.80 1sj6 h ASN 44 Ca -0.40 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.16 1sj6 h ASN 44 Cb 1.19 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 1sj6 h ASN 44 CO 0.58 0.00 -0.85 0.00 -1.65 0.00 0.00 177.43 175.52 1sj6 h ALA 45 N 2.10 0.57 -0.30 -0.83 0.00 -1.94 -3.15 119.26 115.71 1sj6 h ALA 45 Ca 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 54.91 54.16 1sj6 h ALA 45 Cb 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1sj6 h ALA 45 CO 0.00 0.92 0.01 -0.07 0.00 0.00 0.00 179.25 180.10 1sj6 h LEU 46 N 0.09 0.41 0.01 0.00 3.38 -1.70 0.13 115.31 117.64 1sj6 h LEU 46 Ca -0.04 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1sj6 h LEU 46 Cb 1.46 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1sj6 h LEU 46 CO 0.13 0.48 -0.01 -0.09 0.09 0.00 0.00 178.44 179.04 1sj6 h ARG 47 N 0.43 -0.02 -0.01 1.13 2.43 -1.63 0.26 114.38 116.98 1sj6 h ARG 47 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1sj6 h ARG 47 Cb 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1sj6 h ARG 47 CO 0.01 0.16 0.00 -0.25 -1.51 0.00 0.00 179.97 178.38 1sj6 n ASP 48 N -5.01 0.45 -0.10 -3.80 8.00 -1.08 -2.62 116.55 112.39 1sj6 n ASP 48 Ca -0.08 -1.17 -0.09 0.00 0.71 0.00 0.00 54.79 54.16 1sj6 n ASP 48 Cb 0.11 -0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.05 1sj6 n ASP 48 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1sj6 n GLU 49 N -0.64 0.74 0.10 -1.24 2.13 0.45 -4.13 120.64 118.06 1sj6 n GLU 49 Ca 0.22 -0.01 -0.23 0.00 0.66 0.00 0.00 57.16 57.80 1sj6 n GLU 49 Cb 0.18 -1.51 -0.15 0.00 0.27 0.00 0.00 31.44 30.23 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 0.43 -0.83 5.31 4.05 -0.48 -2.17 114.93 121.24 1sj6 h MET 50 Ca -0.53 -0.74 0.03 0.00 -0.28 0.00 0.00 59.70 58.18 1sj6 h MET 50 Cb 2.21 0.28 -0.05 0.00 -0.80 0.00 0.00 31.60 33.23 1sj6 h MET 50 CO 0.03 1.35 0.54 0.00 0.23 0.00 0.00 176.91 179.05 1sj6 h ARG 51 N 0.12 1.02 0.08 0.39 -0.00 -1.72 0.81 114.38 115.08 1sj6 h ARG 51 Ca -0.30 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.98 58.99 1sj6 h ARG 51 Cb 2.12 -0.23 0.01 0.00 0.00 0.00 0.00 29.97 31.87 1sj6 h ARG 51 CO 0.21 0.67 -0.54 0.00 0.00 0.00 0.00 179.97 180.32 1sj6 h ALA 52 N 1.34 -0.04 -0.34 0.04 0.00 -1.72 -1.84 119.26 116.70 1sj6 h ALA 52 Ca 0.33 -0.61 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1sj6 h ALA 52 Cb -0.00 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1sj6 h ALA 52 CO -0.11 0.25 0.02 1.25 0.00 0.00 0.00 179.25 180.67 1sj6 h LEU 53 N -0.50 0.49 -0.00 0.00 5.85 -1.25 -1.41 115.31 118.47 1sj6 h LEU 53 Ca -0.09 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1sj6 h LEU 53 Cb 1.39 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1sj6 h LEU 53 CO 0.10 0.54 -0.00 0.00 -0.34 0.00 0.00 178.44 178.74 1sj6 n ALA 54 N -2.48 2.50 -3.60 1.25 0.00 0.28 -4.67 120.51 113.79 1sj6 n ALA 54 Ca 0.02 -0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.09 1sj6 n ALA 54 Cb 0.23 -1.49 0.06 0.00 0.00 0.00 0.00 19.45 18.25 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 1.28 -0.40 3.16 0.00 0.00 -0.53 -4.97 105.19 103.73 1sj6 n GLY 55 Ca 0.15 0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.37 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 -4.01 -0.07 -0.11 1.61 2.47 -0.70 -5.03 114.94 109.10 1sj6 s ASN 56 Ca 0.21 0.06 0.04 0.00 0.42 0.00 0.00 52.86 53.59 1sj6 s ASN 56 Cb -0.10 1.07 0.27 0.00 -1.45 0.00 0.00 41.25 41.04 1sj6 s ASN 56 CO 0.77 -0.01 1.10 -0.81 -3.72 0.00 0.00 177.10 174.42 1sj6 n PRO 57 N 5.21 2.01 0.00 0.43 -0.05 -1.26 -3.38 135.00 137.96 1sj6 n PRO 57 Ca -0.09 -1.10 0.00 0.00 -0.05 0.00 0.00 63.50 62.27 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 1.63 -0.05 0.00 0.00 175.50 177.08 1sj6 n LYS 58 N 0.10 0.54 0.00 0.54 5.02 -1.26 -5.09 118.16 118.01 1sj6 n LYS 58 Ca 0.14 -0.60 0.00 0.00 -2.02 0.00 0.00 58.31 55.83 1sj6 n LYS 58 Cb 0.72 -0.66 0.00 0.00 -0.02 0.00 0.00 35.03 35.07 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 -2.71 7.82 0.00 -1.22 -5.09 120.51 119.21 1sj6 n ALA 59 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1sj6 n ALA 59 Cb 0.33 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.30 0.10 0.26 0.00 -4.23 -1.26 -5.06 115.64 105.16 1sj6 s THR 60 Ca 0.00 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 1sj6 s THR 60 Cb 0.00 -1.46 0.37 0.00 1.34 0.00 0.00 72.50 72.75 1sj6 s THR 60 CO 0.00 -0.47 1.35 -2.65 -0.54 0.00 0.00 174.62 172.30 1sj6 n PRO 61 N -0.14 -0.07 -1.86 3.99 -0.01 -1.26 -4.13 135.00 131.52 1sj6 n PRO 61 Ca -0.13 1.30 -0.38 0.00 -0.01 0.00 0.00 63.50 64.28 1sj6 n PRO 61 Cb 0.63 -2.04 -0.03 0.00 -0.01 0.00 0.00 33.50 32.05 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 -5.87 2.54 -0.27 0.52 0.02 -1.24 -2.50 135.00 128.20 1sj6 s PRO 62 Ca -0.11 1.02 -0.03 0.00 0.02 0.00 0.00 61.00 61.89 1sj6 s PRO 62 Cb 0.25 -4.43 0.15 0.00 0.02 0.00 0.00 34.50 30.48 1sj6 s PRO 62 CO 0.67 -2.80 0.50 -0.65 -0.33 0.00 0.00 177.00 174.39 1sj6 s GLN 63 N 7.29 0.46 -0.12 5.54 -1.52 -1.21 -3.48 119.66 126.61 1sj6 s GLN 63 Ca 0.80 0.89 -0.13 0.00 -1.95 0.00 0.00 55.36 54.97 1sj6 s GLN 63 Cb -0.16 0.18 -0.05 0.00 -0.22 0.00 0.00 33.01 32.77 1sj6 s GLN 63 CO 0.24 -0.53 0.30 0.42 -0.25 0.00 0.00 175.29 175.47 1sj6 s ILE 64 N 2.72 5.27 -0.06 1.08 1.09 -0.35 0.58 121.20 131.53 1sj6 s ILE 64 Ca 0.12 0.57 0.04 0.00 -1.10 0.00 0.00 60.65 60.28 1sj6 s ILE 64 Cb -0.14 -3.62 -0.02 0.00 -1.06 0.00 0.00 42.46 37.61 1sj6 s ILE 64 CO -0.18 0.45 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.27 1sj6 s VAL 65 N -0.03 2.91 -1.12 2.92 1.01 0.26 -2.67 120.40 123.67 1sj6 s VAL 65 Ca 0.18 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 1sj6 s VAL 65 Cb -0.14 -2.13 0.26 0.00 0.00 0.00 0.00 36.38 34.37 1sj6 s VAL 65 CO 0.06 0.58 1.99 -3.20 0.00 0.00 0.00 175.10 174.53 1sj6 n ASN 66 N 2.49 7.52 0.00 3.32 2.85 -1.18 -0.92 115.26 129.34 1sj6 n ASN 66 Ca -0.17 -3.51 0.00 0.00 -0.11 0.00 0.00 54.58 50.79 1sj6 n ASN 66 Cb 0.52 -1.24 0.00 0.00 1.24 0.00 0.00 39.78 40.31 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 0.57 2.00 0.97 8.20 0.00 -1.14 -4.44 105.19 111.35 1sj6 n GLY 67 Ca 0.51 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 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 2.32 -0.78 -4.16 1.61 5.75 -1.26 -4.95 116.55 115.08 1sj6 n ASP 68 Ca 0.00 -1.89 -0.10 0.00 -0.01 0.00 0.00 54.79 52.78 1sj6 n ASP 68 Cb 0.00 0.23 -0.10 0.00 -1.03 0.00 0.00 41.12 40.22 1sj6 n ASP 68 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1sj6 s GLN 69 N 0.00 0.80 -0.77 0.11 -1.52 -1.26 -5.10 119.66 111.93 1sj6 s GLN 69 Ca 0.02 -1.31 -0.27 0.00 -1.95 0.00 0.00 55.36 51.86 1sj6 s GLN 69 Cb 0.02 -0.17 0.03 0.00 -0.22 0.00 0.00 33.01 32.67 1sj6 s GLN 69 CO -0.01 -0.02 1.30 -0.47 -0.25 0.00 0.00 175.29 175.84 1sj6 s TYR 70 N -3.58 2.30 -0.07 0.91 5.04 -1.26 -3.11 117.35 117.57 1sj6 s TYR 70 Ca 0.11 -0.12 -0.00 0.00 -2.44 0.00 0.00 57.07 54.61 1sj6 s TYR 70 Cb 0.05 -4.63 -0.00 0.00 0.35 0.00 0.00 41.96 37.73 1sj6 s TYR 70 CO -0.05 -2.07 0.02 0.00 -1.34 0.00 0.00 175.55 172.11 1sj6 n GLY 72 N 1.79 1.03 0.00 0.00 0.00 -1.09 -5.05 105.19 101.87 1sj6 n GLY 72 Ca -0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.48 1.26 -0.05 1.61 5.75 -1.26 -1.21 116.55 122.17 1sj6 n ASP 73 Ca 0.00 -0.70 -0.08 0.00 -0.01 0.00 0.00 54.79 54.00 1sj6 n ASP 73 Cb 0.04 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.11 1sj6 n ASP 73 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 1sj6 h TYR 74 N 0.70 -0.04 -0.64 2.11 3.20 -1.96 0.62 116.97 120.95 1sj6 h TYR 74 Ca 0.00 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1sj6 h TYR 74 Cb 0.00 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 1sj6 h TYR 74 CO 0.00 -0.05 0.41 1.49 -1.64 0.00 0.00 178.16 178.37 1sj6 h GLU 75 N 0.05 0.80 0.66 1.82 4.22 -1.97 -0.94 114.58 119.23 1sj6 h GLU 75 Ca 0.11 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.47 1sj6 h GLU 75 Cb 0.14 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.22 1sj6 h GLU 75 CO -0.19 0.53 -0.32 1.25 -2.18 0.00 0.00 179.01 178.10 1sj6 h LEU 76 N 0.83 -0.75 -0.37 1.64 6.46 -1.83 0.30 115.31 121.59 1sj6 h LEU 76 Ca 0.25 -0.01 0.08 0.00 -0.12 0.00 0.00 57.88 58.08 1sj6 h LEU 76 Cb -0.04 0.19 -0.08 0.00 -0.73 0.00 0.00 40.66 40.00 1sj6 h LEU 76 CO -0.08 -0.41 -0.22 0.15 -0.62 0.00 0.00 178.44 177.27 1sj6 h PHE 77 N -1.11 -0.56 -0.36 1.25 3.57 -0.84 -0.04 116.94 118.85 1sj6 h PHE 77 Ca -0.09 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.39 1sj6 h PHE 77 Cb 0.72 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 1sj6 h PHE 77 CO 0.00 -0.29 -0.05 0.28 -2.23 0.00 0.00 178.31 176.02 1sj6 h VAL 78 N -0.16 1.22 0.00 1.41 2.07 -1.20 -1.70 116.25 117.89 1sj6 h VAL 78 Ca 0.18 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1sj6 h VAL 78 Cb 0.44 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1sj6 h VAL 78 CO -0.46 0.31 0.00 1.21 0.02 0.00 0.00 177.57 178.65 1sj6 n GLU 79 N -4.23 0.13 -0.07 1.57 2.13 0.11 -2.74 120.64 117.53 1sj6 n GLU 79 Ca 0.01 0.44 -0.05 0.00 0.66 0.00 0.00 57.16 58.22 1sj6 n GLU 79 Cb 0.29 -1.79 -0.02 0.00 0.27 0.00 0.00 31.44 30.19 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 -1.70 0.48 -0.27 4.31 0.00 -0.50 -4.20 120.51 118.63 1sj6 n ALA 80 Ca 0.01 -0.44 0.25 0.00 0.00 0.00 0.00 53.44 53.26 1sj6 n ALA 80 Cb 0.16 0.01 0.59 0.00 0.00 0.00 0.00 19.45 20.21 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 0.56 -0.38 0.00 2.07 -1.53 1.04 116.25 117.00 1sj6 h VAL 81 Ca -0.01 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.47 1sj6 h VAL 81 Cb 0.55 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1sj6 h VAL 81 CO -0.00 0.05 0.15 1.05 0.02 0.00 0.00 177.57 178.83 1sj6 h GLU 82 N 0.25 0.31 -0.71 1.57 -0.00 -1.71 -2.33 114.58 111.96 1sj6 h GLU 82 Ca 0.52 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.86 1sj6 h GLU 82 Cb 1.57 -0.07 0.00 0.00 -0.00 0.00 0.00 28.75 30.25 1sj6 h GLU 82 CO -0.16 0.21 0.00 0.94 -0.00 0.00 0.00 179.01 180.00 1sj6 n GLN 83 N -4.99 2.71 -1.13 1.06 7.27 -0.40 -4.91 117.38 116.99 1sj6 n GLN 83 Ca 0.02 -2.65 -0.05 0.00 0.07 0.00 0.00 57.00 54.40 1sj6 n GLN 83 Cb 0.13 -1.57 -0.02 0.00 2.41 0.00 0.00 30.24 31.19 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 1.66 -3.57 0.16 1.69 5.15 0.02 -4.90 115.26 115.47 1sj6 n ASN 84 Ca 0.24 0.11 0.12 0.00 -0.60 0.00 0.00 54.58 54.46 1sj6 n ASN 84 Cb 0.63 -1.48 0.18 0.00 -0.53 0.00 0.00 39.78 38.58 1sj6 n ASN 84 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1sj6 h THR 85 N 0.00 0.00 -0.65 -0.44 2.02 0.78 -3.36 112.91 111.26 1sj6 h THR 85 Ca -0.09 -0.84 0.26 0.00 0.77 0.00 0.00 66.41 66.50 1sj6 h THR 85 Cb 0.31 1.70 -0.10 0.00 -1.74 0.00 0.00 68.15 68.32 1sj6 h THR 85 CO 0.14 0.00 0.37 -0.11 0.37 0.00 0.00 175.52 176.29 1sj6 n LEU 86 N -2.75 0.18 -0.03 2.58 7.94 -0.99 0.68 117.00 124.63 1sj6 n LEU 86 Ca 0.03 0.93 -0.11 0.00 -1.11 0.00 0.00 56.01 55.75 1sj6 n LEU 86 Cb 0.50 -0.45 -0.05 0.00 0.53 0.00 0.00 43.42 43.95 1sj6 n LEU 86 CO 0.35 -1.03 0.60 -0.61 -1.11 0.00 0.00 177.39 175.58 1sj6 h GLN 87 N 0.00 -0.42 -0.85 1.96 4.15 -1.91 0.32 115.11 118.36 1sj6 h GLN 87 Ca 0.50 0.03 0.25 0.00 0.77 0.00 0.00 58.65 60.20 1sj6 h GLN 87 Cb 1.42 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 29.17 1sj6 h GLN 87 CO -0.40 -0.28 0.97 0.93 -1.93 0.00 0.00 178.83 178.12 1sj6 h GLU 88 N -0.43 0.00 0.00 1.69 4.39 0.10 1.47 114.58 121.80 1sj6 h GLU 88 Ca 0.10 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.47 1sj6 h GLU 88 Cb 0.60 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.19 1sj6 h GLU 88 CO -0.43 0.00 -2.15 0.34 -1.16 0.00 0.00 179.01 175.61 1sj6 n PHE 89 N -3.41 0.30 0.00 4.33 7.35 0.80 -3.79 117.46 123.04 1sj6 n PHE 89 Ca 0.19 0.11 0.00 0.00 -0.76 0.00 0.00 57.45 56.98 1sj6 n PHE 89 Cb 1.24 -1.03 0.00 0.00 0.35 0.00 0.00 39.48 40.05 1sj6 n PHE 89 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1sj6 n LEU 90 N -2.81 0.24 0.08 -2.13 7.99 0.32 -4.67 117.00 116.02 1sj6 n LEU 90 Ca -0.26 0.07 0.13 0.00 -0.01 0.00 0.00 56.01 55.93 1sj6 n LEU 90 Cb 1.09 -0.32 0.30 0.00 -0.11 0.00 0.00 43.42 44.38 1sj6 n LEU 90 CO 0.44 -0.32 0.64 0.29 -1.51 0.00 0.00 177.39 176.92 1sj6 n LYS 91 N -1.99 0.25 0.00 3.23 5.02 0.98 -4.94 118.16 120.72 1sj6 n LYS 91 Ca 0.00 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1sj6 n LYS 91 Cb 0.00 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 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 -2.13 0.00 0.11 -0.35 7.99 0.42 -3.03 117.00 120.00 1sj6 n LEU 92 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.05 1sj6 n LEU 92 Cb 0.43 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.74 1sj6 n LEU 92 CO 0.33 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.21 1sj6 n ALA 93 N 0.76 3.00 -2.72 -1.18 0.00 -1.26 -4.11 120.51 114.99 1sj6 n ALA 93 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1sj6 n ALA 93 Cb 0.00 0.07 0.01 0.00 0.00 0.00 0.00 19.45 19.52 1sj6 n ALA 93 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sj6 n LEU 94 N -3.40 -7.60 -0.89 0.00 4.77 -1.17 -5.12 117.00 103.60 1sj6 n LEU 94 Ca 0.00 0.75 0.12 0.00 -0.03 0.00 0.00 56.01 56.85 1sj6 n LEU 94 Cb 0.00 -3.24 0.16 0.00 -2.33 0.00 0.00 43.42 38.01 1sj6 n LEU 94 CO 0.00 -2.45 0.67 -0.62 -1.33 0.00 0.00 177.39 173.66