#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqe h SER 2 N 0.00 0.00 -1.40 1.61 0.02 -2.11 -3.44 113.55 108.22 2aqe h SER 2 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 2aqe h SER 2 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2aqe h SER 2 CO 0.00 0.76 1.61 -3.20 -1.14 0.00 0.00 176.83 174.86 2aqe n ASN 3 N -3.03 2.18 -3.10 3.07 5.15 -1.26 -4.84 115.26 113.43 2aqe n ASN 3 Ca -0.10 -0.21 -0.07 0.00 -0.60 0.00 0.00 54.58 53.60 2aqe n ASN 3 Cb 0.91 -1.46 0.02 0.00 -0.53 0.00 0.00 39.78 38.72 2aqe n ASN 3 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2aqe s SER 4 N 10.68 -0.01 0.00 1.20 0.01 -1.26 -5.18 113.70 119.14 2aqe s SER 4 Ca 1.05 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 57.33 2aqe s SER 4 Cb -0.42 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2aqe s SER 4 CO 0.33 -1.46 0.00 0.61 0.41 0.00 0.00 173.24 173.13 2aqe n GLY 5 N -0.58 4.03 2.99 3.44 0.00 -1.26 -5.15 105.19 108.65 2aqe n GLY 5 Ca -0.07 -1.07 -0.15 0.00 0.00 0.00 0.00 46.02 44.73 2aqe n GLY 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aqe s ARG 6 N -2.83 0.45 0.19 1.61 0.52 -1.26 -5.15 118.95 112.48 2aqe s ARG 6 Ca 0.00 -0.37 -0.23 0.00 -0.52 0.00 0.00 55.73 54.60 2aqe s ARG 6 Cb 0.00 -0.36 0.05 0.00 0.52 0.00 0.00 34.95 35.16 2aqe s ARG 6 CO 0.00 0.09 0.73 -0.98 0.02 0.00 0.00 175.30 175.16 2aqe s ARG 7 N -0.61 1.41 0.00 3.54 1.04 -1.26 -5.04 118.95 118.04 2aqe s ARG 7 Ca -0.02 -0.68 0.00 0.00 -1.04 0.00 0.00 55.73 53.99 2aqe s ARG 7 Cb -0.05 0.55 0.00 0.00 -2.04 0.00 0.00 34.95 33.41 2aqe s ARG 7 CO -0.00 -0.64 0.00 0.45 -0.04 0.00 0.00 175.30 175.07 2aqe n SER 8 N -0.41 0.00 -4.59 -2.89 2.88 -1.26 -5.15 113.62 102.20 2aqe n SER 8 Ca -0.10 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.20 2aqe n SER 8 Cb 0.62 0.48 -0.09 0.00 -0.75 0.00 0.00 64.21 64.46 2aqe n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2aqe s ALA 9 N -1.00 3.07 -0.33 -1.46 0.00 -1.26 -5.06 121.76 115.72 2aqe s ALA 9 Ca 0.00 -1.90 -0.28 0.00 0.00 0.00 0.00 51.96 49.78 2aqe s ALA 9 Cb 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 2aqe s ALA 9 CO 0.00 0.15 1.84 -1.25 0.00 0.00 0.00 175.76 176.50 2aqe s PRO 10 N -3.65 3.29 0.00 0.00 0.04 -1.26 -4.98 135.00 128.43 2aqe s PRO 10 Ca 0.33 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.81 2aqe s PRO 10 Cb -0.02 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.30 2aqe s PRO 10 CO 0.18 -1.92 0.00 -2.30 0.04 0.00 0.00 177.00 173.01 2aqe n PRO 11 N 8.48 1.89 -0.19 0.56 -0.02 -1.26 -5.08 135.00 139.38 2aqe n PRO 11 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2aqe n PRO 11 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.95 2aqe n PRO 11 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2aqe n LEU 12 N 0.00 0.00 0.20 2.45 4.32 -1.26 -4.84 117.00 117.86 2aqe n LEU 12 Ca 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 56.01 56.16 2aqe n LEU 12 Cb 0.00 0.00 0.72 0.00 -1.62 0.00 0.00 43.42 42.52 2aqe n LEU 12 CO 0.00 -0.14 1.15 -1.13 -1.22 0.00 0.00 177.39 176.05 2aqe h ASN 13 N 0.00 0.00 -0.67 -1.43 -1.24 -1.96 0.09 115.58 110.38 2aqe h ASN 13 Ca 0.00 0.00 0.19 0.00 0.71 0.00 0.00 56.30 57.20 2aqe h ASN 13 Cb 0.00 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 2aqe h ASN 13 CO 0.00 0.00 0.58 0.25 -1.29 0.00 0.00 177.43 176.97 2aqe h LEU 14 N 0.00 0.00 0.00 0.34 5.85 -1.91 -3.41 115.31 116.18 2aqe h LEU 14 Ca 0.11 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.60 2aqe h LEU 14 Cb 1.05 0.00 0.10 0.00 0.37 0.00 0.00 40.66 42.19 2aqe h LEU 14 CO -0.00 0.00 0.15 1.07 -0.34 0.00 0.00 178.44 179.32 2aqe n THR 15 N -3.95 0.00 -1.63 1.05 5.66 0.02 -3.87 114.28 111.56 2aqe n THR 15 Ca 0.13 -0.40 -0.16 0.00 -3.05 0.00 0.00 64.05 60.57 2aqe n THR 15 Cb 0.83 -1.43 -0.06 0.00 -1.55 0.00 0.00 70.33 68.12 2aqe n THR 15 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2aqe n GLY 16 N -0.64 1.21 3.31 1.09 0.00 -1.26 -4.92 105.19 103.98 2aqe n GLY 16 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 2aqe n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqe s LEU 17 N -4.42 2.29 -0.05 0.99 1.43 -1.25 -5.08 118.68 112.58 2aqe s LEU 17 Ca 0.00 -1.16 -0.16 0.00 -1.03 0.00 0.00 54.13 51.78 2aqe s LEU 17 Cb 0.00 -0.31 -0.11 0.00 0.03 0.00 0.00 46.19 45.80 2aqe s LEU 17 CO 0.00 -0.45 0.65 1.55 0.23 0.00 0.00 176.35 178.33 2aqe h PRO 18 N 2.55 -0.32 0.00 1.29 0.13 -1.91 -3.23 132.00 130.51 2aqe h PRO 18 Ca -0.38 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2aqe h PRO 18 Cb 1.21 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2aqe h PRO 18 CO 0.64 -0.04 0.10 0.78 -0.23 0.00 0.00 178.00 179.25 2aqe h GLY 19 N -1.01 0.00 -0.33 1.56 0.00 -1.92 -2.81 103.07 98.56 2aqe h GLY 19 Ca -0.03 0.00 0.28 0.00 0.00 0.00 0.00 47.33 47.58 2aqe h GLY 19 CO 0.06 0.00 0.57 -0.84 0.00 0.00 0.00 176.54 176.32 2aqe h THR 20 N 0.00 0.42 0.00 4.70 2.02 -1.78 0.69 112.91 118.97 2aqe h THR 20 Ca 0.00 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 66.95 2aqe h THR 20 Cb 0.21 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 2aqe h THR 20 CO 0.00 0.08 -0.63 -0.08 0.37 0.00 0.00 175.52 175.26 2aqe h GLU 21 N 0.45 0.00 0.00 6.66 4.57 -1.73 -3.19 114.58 121.34 2aqe h GLU 21 Ca 0.68 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.83 2aqe h GLU 21 Cb 1.42 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.01 2aqe h GLU 21 CO -0.54 0.25 -0.17 0.87 -1.18 0.00 0.00 179.01 178.23 2aqe h LYS 22 N 0.00 0.00 -6.23 1.92 1.79 0.22 -3.40 116.57 110.88 2aqe h LYS 22 Ca -0.03 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.84 2aqe h LYS 22 Cb 1.26 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.81 2aqe h LYS 22 CO 0.03 0.17 0.65 -0.51 -1.08 0.00 0.00 179.45 178.72 2aqe s LEU 23 N -7.10 3.93 1.00 2.94 1.43 -0.56 -5.01 118.68 115.32 2aqe s LEU 23 Ca -0.01 0.11 -0.17 0.00 -1.03 0.00 0.00 54.13 53.03 2aqe s LEU 23 Cb 0.12 -3.20 -0.04 0.00 0.03 0.00 0.00 46.19 43.10 2aqe s LEU 23 CO 0.61 -1.13 -0.29 0.59 0.23 0.00 0.00 176.35 176.36 2aqe n ASN 24 N 7.38 -3.57 -0.33 2.29 3.02 -1.26 -3.77 115.26 119.02 2aqe n ASN 24 Ca 0.07 0.17 0.19 0.00 -0.03 0.00 0.00 54.58 54.98 2aqe n ASN 24 Cb 0.48 -0.94 0.43 0.00 -0.61 0.00 0.00 39.78 39.15 2aqe n ASN 24 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2aqe h GLU 25 N -1.39 0.52 0.23 3.52 4.11 -1.95 1.30 114.58 120.92 2aqe h GLU 25 Ca -0.45 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 58.94 2aqe h GLU 25 Cb 1.31 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2aqe h GLU 25 CO 0.30 0.34 -0.11 0.87 0.07 0.00 0.00 179.01 180.48 2aqe h LYS 26 N 0.53 -0.29 -0.04 1.06 1.57 -2.01 -2.22 116.57 115.17 2aqe h LYS 26 Ca 0.60 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 59.35 2aqe h LYS 26 Cb 1.27 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 2aqe h LYS 26 CO -0.36 -0.03 -0.19 0.93 -0.57 0.00 0.00 179.45 179.23 2aqe h GLU 27 N -0.53 0.06 0.40 3.15 5.08 -1.27 -2.01 114.58 119.45 2aqe h GLU 27 Ca -0.03 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2aqe h GLU 27 Cb 0.39 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2aqe h GLU 27 CO 0.05 0.25 -0.44 0.87 -1.00 0.00 0.00 179.01 178.74 2aqe h LYS 28 N 0.06 -0.83 -0.79 2.33 1.57 0.20 -0.51 116.57 118.60 2aqe h LYS 28 Ca 0.01 0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2aqe h LYS 28 Cb 0.37 0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 2aqe h LYS 28 CO 0.03 -0.55 0.41 1.49 -0.57 0.00 0.00 179.45 180.25 2aqe h GLU 29 N -0.86 1.11 -0.63 3.15 4.81 -1.23 -0.87 114.58 120.06 2aqe h GLU 29 Ca -0.04 -0.14 0.10 0.00 -0.13 0.00 0.00 59.36 59.16 2aqe h GLU 29 Cb 0.77 -0.21 -0.08 0.00 0.63 0.00 0.00 28.75 29.87 2aqe h GLU 29 CO -0.09 0.83 0.23 1.25 -0.73 0.00 0.00 179.01 180.50 2aqe h LEU 30 N 1.11 0.22 -0.17 1.64 5.85 -0.78 -0.05 115.31 123.12 2aqe h LEU 30 Ca 0.27 0.08 -0.18 0.00 0.84 0.00 0.00 57.88 58.90 2aqe h LEU 30 Cb 0.07 0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.17 2aqe h LEU 30 CO -0.04 0.13 -0.59 0.00 -0.34 0.00 0.00 178.44 177.60 2aqe h GLN 32 N 0.41 0.57 0.37 0.00 4.20 -0.36 -1.70 115.11 118.59 2aqe h GLN 32 Ca -0.02 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 2aqe h GLN 32 Cb 1.21 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.87 2aqe h GLN 32 CO 0.12 0.37 -0.18 0.28 -0.67 0.00 0.00 178.83 178.76 2aqe h VAL 33 N 0.58 0.00 -1.72 -0.54 2.07 -0.93 -3.34 116.25 112.38 2aqe h VAL 33 Ca 0.37 -0.61 -0.74 0.00 0.82 0.00 0.00 66.70 66.55 2aqe h VAL 33 Cb 0.64 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.26 2aqe h VAL 33 CO -0.14 0.00 1.71 0.55 0.02 0.00 0.00 177.57 179.71 2aqe n VAL 34 N -5.03 4.22 -1.07 2.57 3.14 -0.77 -4.93 118.33 116.46 2aqe n VAL 34 Ca -0.06 -4.50 -0.22 0.00 -2.96 0.00 0.00 64.34 56.60 2aqe n VAL 34 Cb 0.20 -2.43 -0.14 0.00 -1.06 0.00 0.00 33.84 30.41 2aqe n VAL 34 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2aqe n ARG 35 N 5.42 0.00 -4.64 1.45 0.63 -0.68 -4.65 116.66 114.19 2aqe n ARG 35 Ca 0.40 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 57.03 2aqe n ARG 35 Cb 0.41 -0.88 -0.08 0.00 0.45 0.00 0.00 32.46 32.36 2aqe n ARG 35 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2aqe s LEU 36 N 3.08 2.10 -0.04 6.15 1.43 -1.23 -5.01 118.68 125.17 2aqe s LEU 36 Ca 0.95 -1.70 -0.01 0.00 -1.03 0.00 0.00 54.13 52.35 2aqe s LEU 36 Cb -0.74 -0.36 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 2aqe s LEU 36 CO 0.38 -0.93 0.03 0.68 0.23 0.00 0.00 176.35 176.74 2aqe s VAL 37 N -3.05 4.46 0.05 -1.59 -7.23 -1.26 -3.86 120.40 107.91 2aqe s VAL 37 Ca 0.14 -0.37 -0.23 0.00 -1.81 0.00 0.00 61.98 59.71 2aqe s VAL 37 Cb 0.01 -2.96 -0.12 0.00 0.56 0.00 0.00 36.38 33.87 2aqe s VAL 37 CO 0.09 0.46 1.35 -0.65 -0.31 0.00 0.00 175.10 176.05 2aqe h PRO 38 N 4.60 -0.71 -0.33 4.82 0.11 -1.90 0.12 132.00 138.70 2aqe h PRO 38 Ca -0.50 0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.70 2aqe h PRO 38 Cb 1.19 0.16 -0.08 0.00 0.11 0.00 0.00 31.00 32.38 2aqe h PRO 38 CO 0.58 -0.47 -0.55 0.78 -0.21 0.00 0.00 178.00 178.12 2aqe h GLY 39 N -0.74 -1.02 0.94 -0.55 0.00 -1.96 0.36 103.07 100.10 2aqe h GLY 39 Ca -0.06 0.70 0.01 0.00 0.00 0.00 0.00 47.33 47.98 2aqe h GLY 39 CO 0.04 -0.14 0.12 0.00 0.00 0.00 0.00 176.54 176.56 2aqe h ALA 40 N -0.10 0.26 -0.95 3.60 0.00 -1.99 -1.80 119.26 118.29 2aqe h ALA 40 Ca 0.06 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.17 2aqe h ALA 40 Cb 0.62 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 2aqe h ALA 40 CO -0.55 -0.29 0.61 -0.92 0.00 0.00 0.00 179.25 178.10 2aqe h TYR 41 N 0.25 0.77 -0.06 0.00 3.20 0.05 0.52 116.97 121.68 2aqe h TYR 41 Ca 0.09 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 2aqe h TYR 41 Cb 0.00 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.04 2aqe h TYR 41 CO -0.08 0.20 0.04 -0.07 -1.64 0.00 0.00 178.16 176.60 2aqe h LEU 42 N 0.57 0.08 0.50 2.82 3.38 -0.08 -0.49 115.31 122.08 2aqe h LEU 42 Ca 0.51 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.40 2aqe h LEU 42 Cb 1.03 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2aqe h LEU 42 CO -0.25 0.12 -0.33 -0.33 0.09 0.00 0.00 178.44 177.74 2aqe h GLU 43 N 0.03 -0.77 -0.11 1.13 5.08 -0.65 0.20 114.58 119.49 2aqe h GLU 43 Ca 0.02 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 2aqe h GLU 43 Cb 0.06 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 2aqe h GLU 43 CO -0.00 -0.51 -0.52 1.88 -1.00 0.00 0.00 179.01 178.86 2aqe h TYR 44 N -0.79 -1.53 -0.96 4.33 0.05 -1.09 0.15 116.97 117.12 2aqe h TYR 44 Ca -0.05 0.06 0.15 0.00 0.05 0.00 0.00 58.73 58.94 2aqe h TYR 44 Cb 0.66 0.68 -0.08 0.00 1.01 0.00 0.00 36.73 39.00 2aqe h TYR 44 CO -0.12 -0.54 0.60 -0.22 -1.05 0.00 0.00 178.16 176.84 2aqe h LYS 45 N -0.58 0.75 -0.97 4.88 3.64 -0.98 0.13 116.57 123.45 2aqe h LYS 45 Ca 0.04 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2aqe h LYS 45 Cb 0.68 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.28 2aqe h LYS 45 CO -0.42 0.50 0.63 0.77 -2.27 0.00 0.00 179.45 178.66 2aqe h SER 46 N 0.78 1.12 0.31 4.20 0.02 0.20 -0.96 113.55 119.21 2aqe h SER 46 Ca 0.50 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.36 2aqe h SER 46 Cb 0.74 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 2aqe h SER 46 CO -0.26 0.82 -0.25 0.00 -1.14 0.00 0.00 176.83 176.00 2aqe h ALA 47 N 1.38 1.49 0.12 3.77 0.00 0.12 -1.21 119.26 124.92 2aqe h ALA 47 Ca 0.35 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2aqe h ALA 47 Cb -0.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2aqe h ALA 47 CO -0.07 0.31 -0.06 -0.07 0.00 0.00 0.00 179.25 179.36 2aqe h LEU 48 N 0.00 -0.13 -2.36 0.00 3.38 -0.65 -1.90 115.31 113.65 2aqe h LEU 48 Ca -0.00 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 2aqe h LEU 48 Cb 0.46 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2aqe h LEU 48 CO 0.03 0.39 -0.02 -0.07 0.09 0.00 0.00 178.44 178.86 2aqe h LEU 49 N -0.71 0.00 0.06 1.67 4.07 -1.29 -1.95 115.31 117.16 2aqe h LEU 49 Ca -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 2aqe h LEU 49 Cb 0.53 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.27 2aqe h LEU 49 CO 0.03 0.02 -0.03 -1.13 -1.08 0.00 0.00 178.44 176.25 2aqe h ASN 50 N 0.00 -0.06 -0.85 -0.43 -1.24 -1.07 -2.44 115.58 109.48 2aqe h ASN 50 Ca -0.00 0.00 0.14 0.00 0.71 0.00 0.00 56.30 57.15 2aqe h ASN 50 Cb 0.20 0.02 -0.09 0.00 0.73 0.00 0.00 38.32 39.18 2aqe h ASN 50 CO 0.00 0.15 0.45 -0.08 -1.29 0.00 0.00 177.43 176.67 2aqe h GLU 51 N -0.48 0.65 0.26 6.67 4.22 -1.35 0.16 114.58 124.71 2aqe h GLU 51 Ca -0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.39 2aqe h GLU 51 Cb 0.06 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 2aqe h GLU 51 CO 0.01 0.43 -0.16 0.00 -2.18 0.00 0.00 179.01 177.11 2aqe h HIS 53 N -0.41 0.00 0.02 0.00 3.86 -0.81 0.87 115.15 118.69 2aqe h HIS 53 Ca -0.02 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.14 2aqe h HIS 53 Cb 0.34 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 2aqe h HIS 53 CO -0.09 0.00 -0.24 0.87 0.86 0.00 0.00 177.93 179.33 2aqe h LYS 54 N 0.00 0.04 -0.01 2.45 1.79 0.40 -3.33 116.57 117.91 2aqe h LYS 54 Ca 0.00 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2aqe h LYS 54 Cb 0.26 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2aqe h LYS 54 CO 0.00 1.03 -0.19 1.04 -1.08 0.00 0.00 179.45 180.26 2aqe n GLN 55 N -4.52 1.04 -1.38 3.15 6.02 0.17 -4.91 117.38 116.95 2aqe n GLN 55 Ca -0.13 -0.60 0.00 0.00 -0.01 0.00 0.00 57.00 56.26 2aqe n GLN 55 Cb 0.55 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.32 2aqe n GLN 55 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2aqe n GLY 56 N 1.30 0.58 0.00 1.08 0.00 0.18 -4.94 105.19 103.39 2aqe n GLY 56 Ca 0.14 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2aqe n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqe n GLY 57 N -1.65 3.82 3.43 -0.02 0.00 0.25 -4.96 105.19 106.06 2aqe n GLY 57 Ca 0.00 -1.66 -0.07 0.00 0.00 0.00 0.00 46.02 44.29 2aqe n GLY 57 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2aqe s LEU 58 N 0.00 -0.70 1.21 0.99 2.96 -1.24 -4.56 118.68 117.35 2aqe s LEU 58 Ca 0.00 1.21 -0.13 0.00 -0.22 0.00 0.00 54.13 54.99 2aqe s LEU 58 Cb 0.00 1.79 0.30 0.00 0.50 0.00 0.00 46.19 48.77 2aqe s LEU 58 CO 0.00 -0.22 0.95 0.54 -1.32 0.00 0.00 176.35 176.29 2aqe n ARG 59 N 4.93 -2.69 -0.04 1.98 1.74 -1.26 -3.31 116.66 118.01 2aqe n ARG 59 Ca -0.15 -0.76 -0.14 0.00 -0.77 0.00 0.00 57.85 56.03 2aqe n ARG 59 Cb 0.53 -2.12 -0.12 0.00 -1.02 0.00 0.00 32.46 29.73 2aqe n ARG 59 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2aqe h LEU 60 N -2.77 0.03 -0.71 0.55 5.85 -1.83 -3.12 115.31 113.32 2aqe h LEU 60 Ca -0.63 -0.77 0.12 0.00 0.84 0.00 0.00 57.88 57.43 2aqe h LEU 60 Cb 1.34 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.28 2aqe h LEU 60 CO 0.49 0.81 0.29 0.00 -0.34 0.00 0.00 178.44 179.69 2aqe h ALA 61 N 0.23 0.97 -0.31 1.25 0.00 -1.99 1.33 119.26 120.75 2aqe h ALA 61 Ca -0.00 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.09 2aqe h ALA 61 Cb 0.81 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2aqe h ALA 61 CO 0.01 -0.17 0.37 1.96 0.00 0.00 0.00 179.25 181.42 2aqe h GLN 62 N 0.47 0.00 0.39 0.00 1.08 -1.93 -1.85 115.11 113.28 2aqe h GLN 62 Ca 0.37 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.55 2aqe h GLN 62 Cb 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 2aqe h GLN 62 CO -0.35 0.00 -0.19 0.00 -0.95 0.00 0.00 178.83 177.34 2aqe h ALA 63 N 1.55 -0.53 -0.40 3.87 0.00 0.18 -1.24 119.26 122.69 2aqe h ALA 63 Ca 0.15 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.00 2aqe h ALA 63 Cb 0.89 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2aqe h ALA 63 CO -0.00 -0.55 0.43 0.00 0.00 0.00 0.00 179.25 179.12 2aqe h ARG 64 N -1.02 0.00 0.00 0.00 -0.00 -1.09 0.71 114.38 112.98 2aqe h ARG 64 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.43 2aqe h ARG 64 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.50 2aqe h ARG 64 CO 0.09 0.00 -0.53 0.00 0.00 0.00 0.00 179.97 179.53 2aqe n ALA 65 N -2.35 3.61 -0.92 0.04 0.00 -1.01 -4.50 120.51 115.37 2aqe n ALA 65 Ca 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2aqe n ALA 65 Cb 0.60 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2aqe n ALA 65 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2aqe n LEU 66 N -1.51 1.33 0.00 0.00 -0.00 0.25 -5.04 117.00 112.03 2aqe n LEU 66 Ca 0.05 0.02 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 2aqe n LEU 66 Cb 0.34 -0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.72 2aqe n LEU 66 CO 0.35 -0.04 0.00 2.30 -0.00 0.00 0.00 177.39 180.01 2aqe n ILE 67 N -1.11 0.00 -3.71 1.96 -5.35 -1.15 -4.99 119.36 104.99 2aqe n ILE 67 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2aqe n ILE 67 Cb 0.00 -1.37 0.00 0.00 -1.74 0.00 0.00 39.64 36.53 2aqe n ILE 67 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2aqe n LYS 68 N -0.25 0.00 0.00 6.28 4.76 -1.26 -4.65 118.16 123.04 2aqe n LYS 68 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2aqe n LYS 68 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2aqe n LYS 68 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 2aqe n ILE 69 N -0.66 0.00 0.00 -0.18 -6.64 -1.26 -5.03 119.36 105.59 2aqe n ILE 69 Ca 0.00 -0.23 0.00 0.00 -1.77 0.00 0.00 62.75 60.75 2aqe n ILE 69 Cb 0.00 1.21 0.00 0.00 -1.44 0.00 0.00 39.64 39.41 2aqe n ILE 69 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 2aqe n ASP 70 N -0.29 0.00 0.00 7.28 8.00 -1.26 -5.11 116.55 125.17 2aqe n ASP 70 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2aqe n ASP 70 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 2aqe n ASP 70 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 2aqe n VAL 71 N 0.00 0.00 0.25 2.53 3.14 -1.26 -4.70 118.33 118.29 2aqe n VAL 71 Ca 0.00 0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.49 2aqe n VAL 71 Cb 0.00 0.00 0.68 0.00 -1.06 0.00 0.00 33.84 33.46 2aqe n VAL 71 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 2aqe h ASN 72 N 0.00 0.00 0.09 6.55 2.35 -1.98 0.11 115.58 122.70 2aqe h ASN 72 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2aqe h ASN 72 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2aqe h ASN 72 CO 0.00 0.14 -0.04 0.11 -1.65 0.00 0.00 177.43 175.98 2aqe h LYS 73 N 0.00 -0.12 -0.82 0.81 6.56 -1.98 -2.70 116.57 118.32 2aqe h LYS 73 Ca -0.00 0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 2aqe h LYS 73 Cb 0.34 0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 31.98 2aqe h LYS 73 CO 0.02 0.28 0.42 1.15 -2.06 0.00 0.00 179.45 179.25 2aqe h THR 74 N -0.54 1.25 -0.71 -0.16 2.02 -1.80 -2.51 112.91 110.45 2aqe h THR 74 Ca -0.01 -0.66 0.16 0.00 0.77 0.00 0.00 66.41 66.67 2aqe h THR 74 Cb 0.45 0.17 -0.12 0.00 -1.74 0.00 0.00 68.15 66.91 2aqe h THR 74 CO 0.02 0.29 0.04 -0.09 0.37 0.00 0.00 175.52 176.15 2aqe h ARG 75 N 1.16 0.14 0.64 6.66 2.43 -0.62 0.48 114.38 125.27 2aqe h ARG 75 Ca 0.29 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 2aqe h ARG 75 Cb 0.07 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2aqe h ARG 75 CO -0.04 0.09 -0.31 0.87 -1.51 0.00 0.00 179.97 179.07 2aqe h LYS 76 N 0.14 -0.83 0.15 0.20 1.57 -1.13 0.22 116.57 116.89 2aqe h LYS 76 Ca 0.39 0.06 0.02 0.00 -1.87 0.00 0.00 60.65 59.24 2aqe h LYS 76 Cb 0.66 0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.12 2aqe h LYS 76 CO -0.59 -0.54 -0.40 0.82 -0.57 0.00 0.00 179.45 178.17 2aqe h ILE 77 N -1.21 0.19 -0.69 1.86 2.04 -1.24 -2.64 117.51 115.83 2aqe h ILE 77 Ca -0.09 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2aqe h ILE 77 Cb 0.67 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2aqe h ILE 77 CO 0.14 0.00 0.37 0.22 0.00 0.00 0.00 178.15 178.89 2aqe h TYR 78 N -0.65 0.94 -0.98 1.37 3.20 -0.13 -2.36 116.97 118.37 2aqe h TYR 78 Ca 0.02 -0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.06 2aqe h TYR 78 Cb 0.67 -0.30 -0.09 0.00 1.54 0.00 0.00 36.73 38.54 2aqe h TYR 78 CO -0.33 0.67 0.61 0.22 -1.64 0.00 0.00 178.16 177.69 2aqe h ASP 79 N 0.94 0.65 0.52 -2.11 1.82 -0.21 0.35 116.42 118.38 2aqe h ASP 79 Ca 0.24 0.08 -0.03 0.00 -0.39 0.00 0.00 57.03 56.93 2aqe h ASP 79 Cb 0.04 -0.04 0.01 0.00 0.68 0.00 0.00 39.33 40.02 2aqe h ASP 79 CO -0.04 0.24 -0.25 0.15 -1.61 0.00 0.00 179.24 177.73 2aqe h PHE 80 N 0.63 -0.65 -0.79 0.28 3.57 -1.09 -1.83 116.94 117.07 2aqe h PHE 80 Ca 0.54 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 62.17 2aqe h PHE 80 Cb 1.02 0.21 -0.10 0.00 2.79 0.00 0.00 35.95 39.88 2aqe h PHE 80 CO -0.00 -0.40 0.35 -0.07 -2.23 0.00 0.00 178.31 175.95 2aqe h LEU 81 N -0.92 0.36 0.00 0.59 3.38 -1.21 0.17 115.31 117.68 2aqe h LEU 81 Ca -0.07 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2aqe h LEU 81 Cb 0.53 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2aqe h LEU 81 CO 0.12 0.14 0.00 -0.38 0.09 0.00 0.00 178.44 178.40 2aqe n ILE 82 N -4.96 0.00 -0.01 1.22 2.08 0.12 -2.45 119.36 115.35 2aqe n ILE 82 Ca 0.15 1.05 0.23 0.00 0.56 0.00 0.00 62.75 64.75 2aqe n ILE 82 Cb 0.43 -2.03 0.70 0.00 -0.75 0.00 0.00 39.64 37.99 2aqe n ILE 82 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2aqe h ARG 83 N 0.00 0.00 0.00 0.38 -0.00 -1.30 -3.41 114.38 110.05 2aqe h ARG 83 Ca 0.00 0.00 -0.20 0.00 -0.50 0.00 0.00 59.98 59.28 2aqe h ARG 83 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 29.97 30.01 2aqe h ARG 83 CO 0.00 0.00 0.08 0.39 0.00 0.00 0.00 179.97 180.44 2aqe n GLU 84 N -3.73 0.14 -2.96 0.04 -0.58 0.58 -4.98 120.64 109.14 2aqe n GLU 84 Ca 0.12 -1.16 -0.44 0.00 -0.42 0.00 0.00 57.16 55.26 2aqe n GLU 84 Cb 0.84 -0.35 0.00 0.00 -0.57 0.00 0.00 31.44 31.36 2aqe n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2aqe n GLY 85 N 1.49 3.46 2.02 0.62 0.00 -1.26 -4.52 105.19 107.01 2aqe n GLY 85 Ca 0.07 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.04 2aqe n GLY 85 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2aqe n TYR 86 N 5.40 -1.51 -4.54 1.61 4.01 -1.14 -5.08 117.16 115.91 2aqe n TYR 86 Ca 0.36 0.24 -0.23 0.00 -0.16 0.00 0.00 57.90 58.11 2aqe n TYR 86 Cb 0.42 0.85 -0.05 0.00 -0.31 0.00 0.00 39.34 40.25 2aqe n TYR 86 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 2aqe n ILE 87 N -2.78 0.00 -3.75 -0.72 -5.35 -1.03 -4.97 119.36 100.76 2aqe n ILE 87 Ca 0.00 -1.78 0.00 0.00 -0.27 0.00 0.00 62.75 60.70 2aqe n ILE 87 Cb 0.00 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.29 2aqe n ILE 87 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2aqe n THR 88 N -0.90 0.00 -2.92 7.28 -2.24 -1.26 -4.41 114.28 109.83 2aqe n THR 88 Ca -0.14 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.48 2aqe n THR 88 Cb 0.47 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 2aqe n THR 88 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2aqe n LYS 89 N 0.00 1.40 0.00 -0.78 2.85 -1.21 -3.70 118.16 116.72 2aqe n LYS 89 Ca 0.00 -3.53 0.00 0.00 -1.05 0.00 0.00 58.31 53.73 2aqe n LYS 89 Cb 0.00 -1.61 0.00 0.00 -0.65 0.00 0.00 35.03 32.77 2aqe n LYS 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35