#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmq s ILE 4 N 0.00 -0.51 -0.61 -0.18 1.01 -0.46 -4.53 121.20 115.92 1xmq s ILE 4 Ca 0.00 -0.64 -0.27 0.00 0.00 0.00 0.00 60.65 59.74 1xmq s ILE 4 Cb 0.00 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.81 1xmq s ILE 4 CO 0.00 -0.42 1.58 -0.60 0.00 0.00 0.00 174.94 175.50 1xmq s ARG 5 N 1.82 3.02 -0.01 2.79 3.52 -1.22 -3.35 118.95 125.52 1xmq s ARG 5 Ca 0.15 0.42 0.05 0.00 -0.13 0.00 0.00 55.73 56.22 1xmq s ARG 5 Cb -0.13 -4.24 -0.01 0.00 -1.56 0.00 0.00 34.95 29.01 1xmq s ARG 5 CO -0.12 -2.28 -0.17 0.42 -0.81 0.00 0.00 175.30 172.34 1xmq s ILE 6 N 7.17 1.33 0.01 4.11 1.01 -1.26 0.18 121.20 133.75 1xmq s ILE 6 Ca 0.56 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 60.52 1xmq s ILE 6 Cb -0.12 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.23 1xmq s ILE 6 CO 0.22 0.36 -0.16 -0.54 0.00 0.00 0.00 174.94 174.81 1xmq s LYS 7 N -0.44 1.20 -0.21 2.79 1.02 0.79 -4.48 119.74 120.40 1xmq s LYS 7 Ca 0.06 -0.67 0.02 0.00 0.02 0.00 0.00 55.97 55.40 1xmq s LYS 7 Cb -0.07 -1.20 0.04 0.00 -0.52 0.00 0.00 37.83 36.09 1xmq s LYS 7 CO -0.01 0.32 -0.13 -0.51 -0.92 0.00 0.00 175.35 174.10 1xmq s LEU 8 N -0.68 2.58 -0.17 3.17 1.43 -1.23 -2.53 118.68 121.25 1xmq s LEU 8 Ca 0.05 -0.98 0.01 0.00 -1.03 0.00 0.00 54.13 52.18 1xmq s LEU 8 Cb -0.07 -1.39 0.03 0.00 0.03 0.00 0.00 46.19 44.79 1xmq s LEU 8 CO 0.00 -0.12 -0.14 0.00 0.23 0.00 0.00 176.35 176.32 1xmq s ARG 9 N 1.28 2.37 0.25 1.70 1.70 -1.19 -1.93 118.95 123.14 1xmq s ARG 9 Ca -0.02 -0.69 0.01 0.00 -0.47 0.00 0.00 55.73 54.57 1xmq s ARG 9 Cb -0.17 -2.27 -0.05 0.00 -0.57 0.00 0.00 34.95 31.89 1xmq s ARG 9 CO -0.08 -0.28 0.11 0.20 -1.08 0.00 0.00 175.30 174.17 1xmq s GLY 10 N 1.42 1.72 0.02 3.88 0.00 -1.21 -3.26 107.32 109.89 1xmq s GLY 10 Ca 0.03 -1.82 0.24 0.00 0.00 0.00 0.00 44.72 43.18 1xmq s GLY 10 CO -0.10 -1.55 1.24 0.69 0.00 0.00 0.00 173.10 173.37 1xmq n PHE 11 N -0.44 0.10 -5.14 1.90 0.99 -1.26 -1.41 117.46 112.20 1xmq n PHE 11 Ca 0.01 0.03 -0.31 0.00 -0.00 0.00 0.00 57.45 57.17 1xmq n PHE 11 Cb 0.66 -0.28 -0.15 0.00 -1.00 0.00 0.00 39.48 38.71 1xmq n PHE 11 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1xmq s ASP 12 N -3.29 3.28 -0.48 4.37 -1.08 -1.26 -4.82 116.67 113.39 1xmq s ASP 12 Ca 0.09 -0.44 -0.01 0.00 -0.52 0.00 0.00 52.55 51.67 1xmq s ASP 12 Cb 0.16 -0.44 0.38 0.00 -1.46 0.00 0.00 42.92 41.57 1xmq s ASP 12 CO 0.75 0.31 1.97 0.00 0.52 0.00 0.00 175.17 178.72 1xmq n HIS 13 N 2.26 2.47 0.00 -5.34 1.44 -1.26 -3.86 115.22 110.93 1xmq n HIS 13 Ca -0.16 -2.37 0.00 0.00 -2.01 0.00 0.00 57.72 53.18 1xmq n HIS 13 Cb 0.51 -1.15 0.00 0.00 0.12 0.00 0.00 29.99 29.47 1xmq n HIS 13 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1xmq n LYS 14 N -0.44 0.00 0.00 -1.40 5.02 -1.26 -4.27 118.16 115.81 1xmq n LYS 14 Ca 0.48 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.79 1xmq n LYS 14 Cb 0.77 -0.50 0.09 0.00 -0.02 0.00 0.00 35.03 35.38 1xmq n LYS 14 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1xmq n THR 15 N -1.10 0.00 0.00 -0.18 5.66 -1.25 -2.98 114.28 114.42 1xmq n THR 15 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1xmq n THR 15 Cb 0.00 -0.32 0.00 0.00 -1.55 0.00 0.00 70.33 68.46 1xmq n THR 15 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1xmq n LEU 16 N -0.59 0.00 -0.10 1.09 4.77 -1.26 -4.47 117.00 116.45 1xmq n LEU 16 Ca 0.02 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.01 1xmq n LEU 16 Cb 0.01 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1xmq n LEU 16 CO 0.02 0.00 0.17 0.47 -1.33 0.00 0.00 177.39 176.72 1xmq n ASP 17 N -0.91 -0.12 -0.05 -1.43 8.00 -1.25 0.11 116.55 120.89 1xmq n ASP 17 Ca 0.00 0.47 -0.18 0.00 0.71 0.00 0.00 54.79 55.78 1xmq n ASP 17 Cb 0.00 -0.13 -0.13 0.00 -0.02 0.00 0.00 41.12 40.84 1xmq n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xmq n ALA 18 N -3.89 1.18 0.05 2.24 0.00 -1.16 -3.51 120.51 115.42 1xmq n ALA 18 Ca 0.04 -0.84 -0.10 0.00 0.00 0.00 0.00 53.44 52.55 1xmq n ALA 18 Cb 0.13 -0.46 0.06 0.00 0.00 0.00 0.00 19.45 19.18 1xmq n ALA 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xmq n SER 19 N -3.32 3.60 0.00 0.00 2.88 0.16 -2.65 113.62 114.29 1xmq n SER 19 Ca -0.36 -2.64 0.00 0.00 -1.33 0.00 0.00 58.87 54.54 1xmq n SER 19 Cb 1.04 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 1xmq n SER 19 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xmq n ALA 20 N -0.05 0.01 1.65 -1.46 0.00 0.31 -4.61 120.51 116.36 1xmq n ALA 20 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1xmq n ALA 20 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.36 1xmq n ALA 20 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1xmq n GLN 21 N -0.00 0.90 0.04 0.00 7.27 -1.08 -2.20 117.38 122.31 1xmq n GLN 21 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.85 1xmq n GLN 21 Cb 0.00 -1.08 -0.14 0.00 2.41 0.00 0.00 30.24 31.43 1xmq n GLN 21 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1xmq h LYS 22 N 0.02 0.32 0.00 3.69 1.57 -1.85 -2.90 116.57 117.42 1xmq h LYS 22 Ca 0.00 -0.55 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1xmq h LYS 22 Cb 0.08 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1xmq h LYS 22 CO 0.00 1.26 0.00 -0.89 -0.57 0.00 0.00 179.45 179.25 1xmq n ILE 23 N -3.73 1.02 -0.06 1.86 -0.00 -0.93 0.02 119.36 117.55 1xmq n ILE 23 Ca -0.25 0.32 -0.20 0.00 -0.00 0.00 0.00 62.75 62.62 1xmq n ILE 23 Cb 1.00 -1.21 -0.13 0.00 -0.00 0.00 0.00 39.64 39.31 1xmq n ILE 23 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 1xmq h VAL 24 N 0.00 1.12 -0.00 1.39 2.07 -1.63 -3.39 116.25 115.81 1xmq h VAL 24 Ca 0.00 -2.29 -0.00 0.00 0.82 0.00 0.00 66.70 65.22 1xmq h VAL 24 Cb 0.25 2.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1xmq h VAL 24 CO 0.00 0.53 -0.01 -0.33 0.02 0.00 0.00 177.57 177.78 1xmq h GLU 25 N -0.72 0.01 -2.88 1.57 4.39 -1.25 -3.32 114.58 112.37 1xmq h GLU 25 Ca -0.27 -0.01 -0.29 0.00 0.34 0.00 0.00 59.36 59.14 1xmq h GLU 25 Cb 1.43 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.07 1xmq h GLU 25 CO -0.07 0.55 1.48 0.00 -1.16 0.00 0.00 179.01 179.82 1xmq n ALA 26 N -2.38 4.89 0.00 3.43 0.00 0.10 -2.17 120.51 124.39 1xmq n ALA 26 Ca -0.09 -1.77 0.00 0.00 0.00 0.00 0.00 53.44 51.59 1xmq n ALA 26 Cb 0.28 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 17.02 1xmq n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xmq n ALA 27 N 3.42 0.00 -0.24 0.00 0.00 -1.25 -4.40 120.51 118.03 1xmq n ALA 27 Ca 0.40 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.96 1xmq n ALA 27 Cb 0.36 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.11 1xmq n ALA 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xmq n ARG 28 N 0.00 2.69 -0.06 0.00 1.74 -0.92 -3.15 116.66 116.96 1xmq n ARG 28 Ca 0.00 -2.58 0.00 0.00 -0.77 0.00 0.00 57.85 54.50 1xmq n ARG 28 Cb 0.00 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 1xmq n ARG 28 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1xmq n ARG 29 N 1.59 0.00 0.00 5.56 3.00 -1.26 -4.85 116.66 120.70 1xmq n ARG 29 Ca 0.23 -0.41 0.00 0.00 -0.01 0.00 0.00 57.85 57.66 1xmq n ARG 29 Cb 0.61 -0.37 0.00 0.00 0.00 0.00 0.00 32.46 32.71 1xmq n ARG 29 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1xmq n SER 30 N 0.00 0.65 -3.28 0.55 3.41 -1.26 -4.99 113.62 108.69 1xmq n SER 30 Ca 0.00 -0.07 -0.20 0.00 -0.26 0.00 0.00 58.87 58.34 1xmq n SER 30 Cb 0.52 0.27 -0.08 0.00 -0.26 0.00 0.00 64.21 64.66 1xmq n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xmq n GLY 31 N 0.46 2.90 3.25 5.00 0.00 -1.19 -3.63 105.19 111.98 1xmq n GLY 31 Ca 0.00 -1.90 -0.28 0.00 0.00 0.00 0.00 46.02 43.84 1xmq n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmq n ALA 32 N -0.68 -3.45 0.00 4.61 0.00 -1.05 -4.71 120.51 115.24 1xmq n ALA 32 Ca -0.12 -1.40 0.00 0.00 0.00 0.00 0.00 53.44 51.92 1xmq n ALA 32 Cb 0.62 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1xmq n ALA 32 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1xmq n GLN 33 N -3.72 0.00 -1.27 0.00 7.27 -1.26 -4.78 117.38 113.62 1xmq n GLN 33 Ca 0.05 0.17 0.00 0.00 0.07 0.00 0.00 57.00 57.29 1xmq n GLN 33 Cb 0.54 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.68 1xmq n GLN 33 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1xmq n VAL 34 N -1.16 -3.45 0.20 1.69 0.31 -1.26 -4.66 118.33 110.00 1xmq n VAL 34 Ca 0.00 1.57 0.04 0.00 -0.01 0.00 0.00 64.34 65.95 1xmq n VAL 34 Cb 0.00 -2.33 0.47 0.00 -0.91 0.00 0.00 33.84 31.08 1xmq n VAL 34 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1xmq h SER 35 N 0.76 0.04 -4.81 4.52 0.02 -1.44 -3.47 113.55 109.17 1xmq h SER 35 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1xmq h SER 35 Cb 0.37 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1xmq h SER 35 CO 0.00 0.24 0.00 0.61 -1.14 0.00 0.00 176.83 176.54 1xmq n GLY 36 N -0.94 0.65 3.60 -3.77 0.00 -1.18 -4.88 105.19 98.67 1xmq n GLY 36 Ca -0.02 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 1xmq n GLY 36 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xmq s PRO 37 N -1.89 3.66 -0.19 1.61 0.04 -1.26 -2.35 135.00 134.62 1xmq s PRO 37 Ca 0.00 0.72 -0.13 0.00 0.04 0.00 0.00 61.00 61.63 1xmq s PRO 37 Cb 0.00 -3.96 -0.05 0.00 0.04 0.00 0.00 34.50 30.54 1xmq s PRO 37 CO 0.00 -1.46 0.27 0.42 0.04 0.00 0.00 177.00 176.26 1xmq s ILE 38 N 4.87 5.31 0.02 0.56 1.01 -1.26 -4.83 121.20 126.87 1xmq s ILE 38 Ca 0.53 0.46 -0.09 0.00 0.00 0.00 0.00 60.65 61.56 1xmq s ILE 38 Cb -0.10 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 1xmq s ILE 38 CO 0.32 0.36 1.14 1.55 0.00 0.00 0.00 174.94 178.31 1xmq h PRO 39 N 6.95 -0.29 -1.65 2.79 0.13 -1.93 0.25 132.00 138.25 1xmq h PRO 39 Ca -0.40 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1xmq h PRO 39 Cb 1.16 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1xmq h PRO 39 CO 0.73 -0.19 -0.39 1.28 -0.23 0.00 0.00 178.00 179.21 1xmq n LEU 40 N -2.99 -3.48 -4.63 1.56 4.77 -1.26 -3.31 117.00 107.65 1xmq n LEU 40 Ca -0.04 1.32 -0.37 0.00 -0.03 0.00 0.00 56.01 56.89 1xmq n LEU 40 Cb 0.13 -0.68 0.06 0.00 -2.33 0.00 0.00 43.42 40.59 1xmq n LEU 40 CO 0.08 -0.19 0.59 -0.81 -1.33 0.00 0.00 177.39 175.73 1xmq n PRO 41 N -0.21 0.91 -3.51 3.23 -0.04 -1.26 -4.36 135.00 129.76 1xmq n PRO 41 Ca 0.00 0.36 -0.31 0.00 -0.04 0.00 0.00 63.50 63.50 1xmq n PRO 41 Cb 0.00 -2.22 -0.05 0.00 -0.04 0.00 0.00 33.50 31.19 1xmq n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1xmq s THR 42 N -1.50 5.04 -0.33 0.52 2.01 -1.26 -4.65 115.64 115.45 1xmq s THR 42 Ca 0.77 0.23 -0.05 0.00 0.31 0.00 0.00 61.69 62.96 1xmq s THR 42 Cb -0.41 -3.64 0.05 0.00 0.01 0.00 0.00 72.50 68.51 1xmq s THR 42 CO 0.46 -0.07 0.09 -0.13 -0.69 0.00 0.00 174.62 174.28 1xmq s ARG 43 N -2.87 2.54 0.16 4.92 0.52 -1.14 -4.97 118.95 118.12 1xmq s ARG 43 Ca 0.44 -1.25 -0.15 0.00 -0.52 0.00 0.00 55.73 54.26 1xmq s ARG 43 Cb -0.11 -3.40 -0.07 0.00 0.52 0.00 0.00 34.95 31.88 1xmq s ARG 43 CO 0.24 -0.68 0.58 0.08 0.02 0.00 0.00 175.30 175.53 1xmq s VAL 44 N 1.35 4.82 -0.20 3.52 1.01 -1.26 -2.23 120.40 127.41 1xmq s VAL 44 Ca -0.02 0.87 -0.01 0.00 0.00 0.00 0.00 61.98 62.83 1xmq s VAL 44 Cb -0.20 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.45 1xmq s VAL 44 CO 0.01 0.21 -0.14 -0.13 0.00 0.00 0.00 175.10 175.06 1xmq s ARG 45 N -2.03 3.06 -0.15 2.72 1.81 -1.22 -4.96 118.95 118.17 1xmq s ARG 45 Ca 0.39 -0.80 -0.10 0.00 -1.72 0.00 0.00 55.73 53.50 1xmq s ARG 45 Cb -0.15 -2.74 -0.05 0.00 -0.45 0.00 0.00 34.95 31.56 1xmq s ARG 45 CO 0.19 -0.24 0.17 1.03 -0.68 0.00 0.00 175.30 175.78 1xmq s ARG 46 N 1.34 3.86 -0.20 3.54 1.81 -1.26 -0.72 118.95 127.32 1xmq s ARG 46 Ca 0.04 -0.10 0.00 0.00 -1.72 0.00 0.00 55.73 53.95 1xmq s ARG 46 Cb -0.14 -3.31 0.05 0.00 -0.45 0.00 0.00 34.95 31.10 1xmq s ARG 46 CO -0.09 0.52 -0.06 -0.06 -0.68 0.00 0.00 175.30 174.93 1xmq s PHE 47 N -0.31 2.12 -0.30 -0.53 0.40 0.38 -4.99 117.98 114.76 1xmq s PHE 47 Ca 0.13 -1.47 -0.06 0.00 -0.60 0.00 0.00 56.93 54.92 1xmq s PHE 47 Cb -0.12 -1.48 0.01 0.00 0.51 0.00 0.00 43.02 41.94 1xmq s PHE 47 CO 0.02 -0.71 0.07 0.99 0.70 0.00 0.00 175.22 176.29 1xmq s THR 48 N 1.49 3.87 0.16 0.64 2.01 -1.26 -0.58 115.64 121.98 1xmq s THR 48 Ca -0.03 -0.75 0.10 0.00 0.31 0.00 0.00 61.69 61.32 1xmq s THR 48 Cb -0.17 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 1xmq s THR 48 CO -0.07 0.07 -0.22 0.54 -0.69 0.00 0.00 174.62 174.24 1xmq s VAL 49 N 1.48 2.06 -0.09 3.82 0.11 -1.23 -5.07 120.40 121.49 1xmq s VAL 49 Ca 0.02 -1.87 -0.30 0.00 -2.93 0.00 0.00 61.98 56.90 1xmq s VAL 49 Cb -0.17 -1.92 -0.02 0.00 -1.53 0.00 0.00 36.38 32.73 1xmq s VAL 49 CO 0.02 -0.14 1.17 -0.63 -3.33 0.00 0.00 175.10 172.19 1xmq s ILE 50 N -1.62 4.36 0.09 7.04 1.01 -1.26 -3.12 121.20 127.70 1xmq s ILE 50 Ca 0.16 1.67 -0.35 0.00 0.00 0.00 0.00 60.65 62.12 1xmq s ILE 50 Cb -0.08 -4.07 -0.16 0.00 0.01 0.00 0.00 42.46 38.15 1xmq s ILE 50 CO 0.07 -0.03 1.57 0.03 0.00 0.00 0.00 174.94 176.58 1xmq h ARG 51 N 7.50 -0.90 -7.12 2.79 3.08 -1.87 -3.43 114.38 114.43 1xmq h ARG 51 Ca -0.32 0.06 -0.48 0.00 0.07 0.00 0.00 59.98 59.31 1xmq h ARG 51 Cb 1.15 0.21 0.05 0.00 0.08 0.00 0.00 29.97 31.45 1xmq h ARG 51 CO 0.89 -0.60 0.39 0.20 -1.07 0.00 0.00 179.97 179.78 1xmq s GLY 52 N -2.16 2.40 0.31 0.04 0.00 -1.26 -4.94 107.32 101.71 1xmq s GLY 52 Ca -0.18 0.57 0.26 0.00 0.00 0.00 0.00 44.72 45.37 1xmq s GLY 52 CO 0.61 0.90 1.77 -0.56 0.00 0.00 0.00 173.10 175.81 1xmq h PRO 53 N 1.13 0.00 -3.37 2.90 0.13 -1.99 -3.44 132.00 127.37 1xmq h PRO 53 Ca -0.49 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.42 1xmq h PRO 53 Cb 1.23 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.06 1xmq h PRO 53 CO 0.58 0.00 -0.60 0.12 -0.23 0.00 0.00 178.00 177.88 1xmq s PHE 54 N -3.34 -0.14 0.00 1.56 5.36 -1.26 -5.12 117.98 115.05 1xmq s PHE 54 Ca 0.05 0.38 0.00 0.00 -0.96 0.00 0.00 56.93 56.40 1xmq s PHE 54 Cb 0.10 -0.02 0.00 0.00 -0.34 0.00 0.00 43.02 42.75 1xmq s PHE 54 CO 0.46 -0.11 0.00 0.36 -1.46 0.00 0.00 175.22 174.47 1xmq n LYS 55 N 3.58 0.00 -3.82 10.12 2.85 -1.26 -4.86 118.16 124.76 1xmq n LYS 55 Ca -0.19 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 56.81 1xmq n LYS 55 Cb 0.56 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.96 1xmq n LYS 55 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1xmq n HIS 56 N 11.29 -2.07 0.38 5.58 8.25 -1.26 -4.73 115.22 132.65 1xmq n HIS 56 Ca 0.00 0.86 0.00 0.00 -0.26 0.00 0.00 57.72 58.32 1xmq n HIS 56 Cb 0.00 -4.15 0.00 0.00 1.12 0.00 0.00 29.99 26.96 1xmq n HIS 56 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1xmq n LYS 57 N -4.47 0.22 -0.51 -0.41 -0.00 -1.26 -3.07 118.16 108.65 1xmq n LYS 57 Ca -0.14 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.22 1xmq n LYS 57 Cb 0.61 -1.03 0.23 0.00 -0.00 0.00 0.00 35.03 34.84 1xmq n LYS 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1xmq n ASP 58 N -0.26 3.41 0.00 -5.58 8.00 -1.26 -4.83 116.55 116.03 1xmq n ASP 58 Ca 0.00 -3.22 0.00 0.00 0.71 0.00 0.00 54.79 52.28 1xmq n ASP 58 Cb 0.01 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 1xmq n ASP 58 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1xmq n SER 59 N -0.75 0.00 0.00 -2.24 7.64 -1.17 -5.03 113.62 112.06 1xmq n SER 59 Ca 0.24 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1xmq n SER 59 Cb 0.92 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.12 1xmq n SER 59 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xmq n ARG 60 N -1.06 0.00 -1.83 1.43 3.00 -1.18 -4.82 116.66 112.21 1xmq n ARG 60 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1xmq n ARG 60 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1xmq n ARG 60 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1xmq n GLU 61 N 0.00 -5.18 -4.30 5.56 2.13 -1.25 -3.57 120.64 114.03 1xmq n GLU 61 Ca 0.00 3.79 -0.35 0.00 0.66 0.00 0.00 57.16 61.26 1xmq n GLU 61 Cb 0.00 -4.22 -0.09 0.00 0.27 0.00 0.00 31.44 27.40 1xmq n GLU 61 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1xmq s HIS 62 N -2.74 3.22 -0.12 4.31 3.76 -1.26 -3.50 115.29 118.97 1xmq s HIS 62 Ca 0.00 0.24 0.01 0.00 -0.15 0.00 0.00 55.06 55.16 1xmq s HIS 62 Cb 0.00 -1.82 0.02 0.00 1.11 0.00 0.00 32.58 31.89 1xmq s HIS 62 CO 0.00 0.50 -0.15 -0.06 -0.85 0.00 0.00 174.74 174.18 1xmq s PHE 63 N -0.87 1.98 -0.04 1.40 2.99 0.26 -4.99 117.98 118.70 1xmq s PHE 63 Ca 0.13 -0.97 0.05 0.00 0.00 0.00 0.00 56.93 56.14 1xmq s PHE 63 Cb -0.11 -1.44 -0.01 0.00 0.00 0.00 0.00 43.02 41.45 1xmq s PHE 63 CO 0.02 -0.52 -0.20 -1.83 -0.00 0.00 0.00 175.22 172.70 1xmq s GLU 64 N 1.12 1.98 -0.83 0.44 -1.05 -1.26 0.14 118.70 119.24 1xmq s GLU 64 Ca -0.04 -0.72 0.01 0.00 -0.15 0.00 0.00 54.97 54.07 1xmq s GLU 64 Cb -0.14 -1.74 0.21 0.00 -0.44 0.00 0.00 34.13 32.02 1xmq s GLU 64 CO -0.04 0.33 0.73 -0.11 0.95 0.00 0.00 175.26 177.12 1xmq n LEU 65 N 2.97 3.92 -4.72 1.83 7.94 0.10 -4.92 117.00 124.11 1xmq n LEU 65 Ca -0.17 -5.20 -0.41 0.00 -1.11 0.00 0.00 56.01 49.12 1xmq n LEU 65 Cb 0.53 -0.96 -0.04 0.00 0.53 0.00 0.00 43.42 43.48 1xmq n LEU 65 CO 0.25 1.68 0.79 0.00 -1.11 0.00 0.00 177.39 179.00 1xmq s ARG 66 N -1.60 4.55 -0.49 1.96 1.70 -1.26 -3.44 118.95 120.37 1xmq s ARG 66 Ca 0.28 1.65 -0.14 0.00 -0.47 0.00 0.00 55.73 57.06 1xmq s ARG 66 Cb -0.03 -3.34 0.10 0.00 -0.57 0.00 0.00 34.95 31.11 1xmq s ARG 66 CO -0.12 -0.04 0.41 0.99 -1.08 0.00 0.00 175.30 175.46 1xmq s THR 67 N 0.43 4.91 0.78 4.99 2.01 -0.94 -4.56 115.64 123.26 1xmq s THR 67 Ca 0.53 -1.39 -0.11 0.00 0.31 0.00 0.00 61.69 61.02 1xmq s THR 67 Cb -0.27 -4.07 0.06 0.00 0.01 0.00 0.00 72.50 68.23 1xmq s THR 67 CO 0.31 -0.71 1.09 -1.00 -0.69 0.00 0.00 174.62 173.62 1xmq s HIS 68 N 1.55 2.81 0.07 4.92 3.76 -0.50 -2.87 115.29 125.02 1xmq s HIS 68 Ca 0.04 1.28 -0.00 0.00 -0.15 0.00 0.00 55.06 56.23 1xmq s HIS 68 Cb -0.27 -3.05 -0.04 0.00 1.11 0.00 0.00 32.58 30.33 1xmq s HIS 68 CO 0.03 -1.72 -0.03 -0.80 -0.85 0.00 0.00 174.74 171.37 1xmq s ASN 69 N -3.75 0.63 0.15 1.40 0.01 -1.26 -3.31 114.94 108.82 1xmq s ASN 69 Ca 0.60 -1.02 -0.08 0.00 -0.71 0.00 0.00 52.86 51.65 1xmq s ASN 69 Cb -0.15 0.18 -0.01 0.00 0.41 0.00 0.00 41.25 41.68 1xmq s ASN 69 CO 0.55 -0.58 0.26 -0.13 -1.51 0.00 0.00 177.10 175.69 1xmq s ARG 70 N -3.91 1.10 0.00 -0.60 1.81 -0.81 -4.46 118.95 112.08 1xmq s ARG 70 Ca 0.09 -1.16 0.00 0.00 -1.72 0.00 0.00 55.73 52.94 1xmq s ARG 70 Cb 0.07 0.36 0.00 0.00 -0.45 0.00 0.00 34.95 34.94 1xmq s ARG 70 CO -0.08 -0.39 0.00 -0.11 -0.68 0.00 0.00 175.30 174.04 1xmq n LEU 71 N -0.19 0.00 0.00 2.53 -0.00 0.87 -3.55 117.00 116.67 1xmq n LEU 71 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 1xmq n LEU 71 Cb 0.63 -0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.05 1xmq n LEU 71 CO 0.24 -0.06 0.00 0.52 -0.00 0.00 0.00 177.39 178.10 1xmq n VAL 72 N -1.17 0.00 -2.47 1.96 0.31 -0.99 -4.35 118.33 111.61 1xmq n VAL 72 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1xmq n VAL 72 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 1xmq n VAL 72 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1xmq n ASP 73 N 4.26 -5.19 -4.80 4.52 9.92 -1.21 -3.13 116.55 120.92 1xmq n ASP 73 Ca 0.00 1.56 -0.37 0.00 -0.53 0.00 0.00 54.79 55.46 1xmq n ASP 73 Cb 0.00 -4.76 -0.07 0.00 -0.64 0.00 0.00 41.12 35.65 1xmq n ASP 73 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1xmq s ILE 74 N -0.55 5.34 0.12 0.53 1.01 -1.23 -1.68 121.20 124.75 1xmq s ILE 74 Ca -0.11 0.42 -0.20 0.00 0.00 0.00 0.00 60.65 60.75 1xmq s ILE 74 Cb 0.01 -3.54 -0.07 0.00 0.01 0.00 0.00 42.46 38.87 1xmq s ILE 74 CO 0.31 0.51 0.64 -0.63 0.00 0.00 0.00 174.94 175.76 1xmq s ILE 75 N -0.33 4.64 -0.14 2.92 1.01 -1.26 -1.36 121.20 126.68 1xmq s ILE 75 Ca 0.16 1.31 -0.03 0.00 0.00 0.00 0.00 60.65 62.08 1xmq s ILE 75 Cb -0.13 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1xmq s ILE 75 CO 0.04 0.48 0.12 0.59 0.00 0.00 0.00 174.94 176.18 1xmq n ASN 76 N 1.48 -4.30 -4.12 3.58 3.02 -1.26 -2.52 115.26 111.15 1xmq n ASN 76 Ca -0.08 0.37 -0.30 0.00 -0.03 0.00 0.00 54.58 54.54 1xmq n ASN 76 Cb 0.50 -2.68 -0.10 0.00 -0.61 0.00 0.00 39.78 36.89 1xmq n ASN 76 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1xmq n PRO 77 N -0.11 0.45 -0.67 3.52 -0.04 -1.26 -4.48 135.00 132.41 1xmq n PRO 77 Ca 0.02 -1.61 -0.23 0.00 -0.04 0.00 0.00 63.50 61.64 1xmq n PRO 77 Cb 0.10 -3.33 0.20 0.00 -0.04 0.00 0.00 33.50 30.43 1xmq n PRO 77 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1xmq n ASN 78 N 14.15 -2.24 -0.13 3.54 3.02 -1.26 -5.03 115.26 127.31 1xmq n ASN 78 Ca 0.45 -0.94 -0.29 0.00 -0.03 0.00 0.00 54.58 53.76 1xmq n ASN 78 Cb 0.45 -0.77 -0.10 0.00 -0.61 0.00 0.00 39.78 38.75 1xmq n ASN 78 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xmq n ARG 79 N -4.27 0.57 0.29 3.52 5.12 -1.26 -4.34 116.66 116.29 1xmq n ARG 79 Ca 0.11 0.25 0.14 0.00 -1.93 0.00 0.00 57.85 56.43 1xmq n ARG 79 Cb 0.46 -1.46 0.86 0.00 -1.16 0.00 0.00 32.46 31.16 1xmq n ARG 79 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1xmq h LYS 80 N -0.97 0.00 0.07 5.56 6.56 -1.96 -2.58 116.57 123.25 1xmq h LYS 80 Ca -0.67 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 58.91 1xmq h LYS 80 Cb 1.59 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.25 1xmq h LYS 80 CO -0.41 0.04 -0.03 1.15 -2.06 0.00 0.00 179.45 178.13 1xmq h THR 81 N 0.00 1.15 0.00 -0.16 2.02 -1.78 -2.80 112.91 111.34 1xmq h THR 81 Ca -0.00 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.36 1xmq h THR 81 Cb 0.10 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1xmq h THR 81 CO 0.00 0.20 0.15 0.40 0.37 0.00 0.00 175.52 176.64 1xmq h ILE 82 N -0.47 0.00 0.07 3.11 2.04 -1.65 -2.93 117.51 117.68 1xmq h ILE 82 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1xmq h ILE 82 Cb 0.40 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1xmq h ILE 82 CO 0.02 0.00 -0.03 -0.33 0.00 0.00 0.00 178.15 177.80 1xmq h GLU 83 N 0.00 -0.09 -0.49 2.37 3.07 -1.43 -1.06 114.58 116.95 1xmq h GLU 83 Ca 0.00 0.01 0.14 0.00 -0.50 0.00 0.00 59.36 59.01 1xmq h GLU 83 Cb 0.29 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1xmq h GLU 83 CO 0.00 -0.06 0.62 1.96 -1.40 0.00 0.00 179.01 180.13 1xmq h GLN 84 N -0.13 0.00 0.00 2.33 4.20 -1.60 -3.37 115.11 116.54 1xmq h GLN 84 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1xmq h GLN 84 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1xmq h GLN 84 CO 0.02 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.46 1xmq n LEU 85 N -3.47 0.00 0.00 1.46 4.77 -1.16 -4.68 117.00 113.92 1xmq n LEU 85 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1xmq n LEU 85 Cb 0.81 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 1xmq n LEU 85 CO 0.24 0.00 0.00 0.80 -1.33 0.00 0.00 177.39 177.10 1xmq n MET 86 N 0.00 0.00 -2.73 3.23 1.56 -0.41 -3.08 117.12 115.68 1xmq n MET 86 Ca 0.00 0.00 -0.07 0.00 -0.27 0.00 0.00 57.70 57.36 1xmq n MET 86 Cb 0.00 0.00 0.05 0.00 2.15 0.00 0.00 33.22 35.42 1xmq n MET 86 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 1xmq n THR 87 N 0.00 0.00 -1.59 1.12 -1.04 -1.26 -4.98 114.28 106.53 1xmq n THR 87 Ca 0.00 -1.24 0.00 0.00 -2.04 0.00 0.00 64.05 60.77 1xmq n THR 87 Cb 0.00 1.34 0.00 0.00 -1.82 0.00 0.00 70.33 69.85 1xmq n THR 87 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1xmq n LEU 88 N 1.79 0.00 0.00 -4.42 4.77 -1.18 -5.12 117.00 112.85 1xmq n LEU 88 Ca 0.09 -0.58 -0.02 0.00 -0.03 0.00 0.00 56.01 55.47 1xmq n LEU 88 Cb 0.64 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.74 1xmq n LEU 88 CO -0.01 0.16 0.02 -0.90 -1.33 0.00 0.00 177.39 175.34 1xmq n ASP 89 N 0.00 -1.90 0.00 -1.43 5.75 -1.26 -5.05 116.55 112.66 1xmq n ASP 89 Ca 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 1xmq n ASP 89 Cb 0.61 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1xmq n ASP 89 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1xmq n LEU 90 N 0.00 0.00 -4.77 -2.12 4.77 -1.26 -5.14 117.00 108.49 1xmq n LEU 90 Ca 0.01 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.64 1xmq n LEU 90 Cb 0.03 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1xmq n LEU 90 CO 0.02 0.00 0.79 -2.16 -1.33 0.00 0.00 177.39 174.71 1xmq s PRO 91 N 0.00 3.09 -0.16 3.23 0.04 -1.26 -5.00 135.00 134.94 1xmq s PRO 91 Ca 0.00 1.64 -0.15 0.00 0.04 0.00 0.00 61.00 62.53 1xmq s PRO 91 Cb 0.00 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 1xmq s PRO 91 CO 0.00 -1.07 -0.30 2.41 0.04 0.00 0.00 177.00 178.08 1xmq n THR 92 N -1.65 1.44 -2.46 1.26 -1.04 -1.26 -4.80 114.28 105.77 1xmq n THR 92 Ca 0.12 0.10 -0.43 0.00 -2.04 0.00 0.00 64.05 61.80 1xmq n THR 92 Cb 0.51 -2.19 0.00 0.00 -1.82 0.00 0.00 70.33 66.83 1xmq n THR 92 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xmq n GLY 93 N 1.70 4.34 3.35 3.41 0.00 -1.26 -4.92 105.19 111.80 1xmq n GLY 93 Ca -0.17 -2.03 -0.10 0.00 0.00 0.00 0.00 46.02 43.72 1xmq n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xmq s VAL 94 N 0.94 0.06 0.08 1.61 1.01 -1.26 -4.46 120.40 118.38 1xmq s VAL 94 Ca 0.41 -1.39 0.02 0.00 0.00 0.00 0.00 61.98 61.02 1xmq s VAL 94 Cb 0.07 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1xmq s VAL 94 CO 0.00 -0.26 -0.07 -0.70 0.00 0.00 0.00 175.10 174.07 1xmq s GLU 95 N -3.97 0.73 -0.00 2.72 2.12 -1.20 -5.04 118.70 114.05 1xmq s GLU 95 Ca 0.18 -1.17 -0.02 0.00 0.36 0.00 0.00 54.97 54.32 1xmq s GLU 95 Cb 0.03 -0.20 -0.00 0.00 0.26 0.00 0.00 34.13 34.22 1xmq s GLU 95 CO 0.01 -0.01 0.04 0.42 -0.54 0.00 0.00 175.26 175.18 1xmq s ILE 96 N -3.04 0.06 -0.00 -3.70 1.01 -1.26 -3.19 121.20 111.08 1xmq s ILE 96 Ca 0.06 -0.46 0.07 0.00 0.00 0.00 0.00 60.65 60.32 1xmq s ILE 96 Cb 0.01 -0.22 -0.02 0.00 0.01 0.00 0.00 42.46 42.25 1xmq s ILE 96 CO -0.04 -0.25 -0.22 -1.61 0.00 0.00 0.00 174.94 172.82 1xmq s GLU 97 N -0.77 1.71 0.02 2.79 0.41 -1.05 -4.95 118.70 116.85 1xmq s GLU 97 Ca -0.09 -0.83 0.02 0.00 -0.41 0.00 0.00 54.97 53.67 1xmq s GLU 97 Cb -0.05 -1.70 -0.01 0.00 -1.78 0.00 0.00 34.13 30.59 1xmq s GLU 97 CO -0.00 0.46 -0.06 0.42 -0.49 0.00 0.00 175.26 175.59 1xmq s ILE 98 N -0.57 0.44 -0.38 -1.63 1.01 -1.25 -0.15 121.20 118.66 1xmq s ILE 98 Ca 0.08 -0.64 0.10 0.00 0.00 0.00 0.00 60.65 60.19 1xmq s ILE 98 Cb -0.09 -0.45 0.38 0.00 0.01 0.00 0.00 42.46 42.32 1xmq s ILE 98 CO -0.00 -0.15 1.39 0.29 0.00 0.00 0.00 174.94 176.47 1xmq n LYS 99 N 2.21 1.21 0.00 2.79 5.02 0.48 -4.97 118.16 124.89 1xmq n LYS 99 Ca -0.18 -1.63 0.00 0.00 -2.02 0.00 0.00 58.31 54.48 1xmq n LYS 99 Cb 0.56 0.08 0.00 0.00 -0.02 0.00 0.00 35.03 35.65 1xmq n LYS 99 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29