#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqe n SER 2 N 0.00 -6.38 -4.58 1.61 7.64 -1.26 -4.70 113.62 105.95 2aqe n SER 2 Ca 0.00 1.08 -0.41 0.00 1.01 0.00 0.00 58.87 60.55 2aqe n SER 2 Cb 0.00 -3.86 -0.03 0.00 -1.01 0.00 0.00 64.21 59.31 2aqe n SER 2 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2aqe s ASN 3 N -1.14 5.30 0.00 6.43 0.02 -1.26 -4.93 114.94 119.36 2aqe s ASN 3 Ca -0.05 1.31 0.00 0.00 -1.02 0.00 0.00 52.86 53.10 2aqe s ASN 3 Cb 0.00 -2.51 0.00 0.00 0.02 0.00 0.00 41.25 38.76 2aqe s ASN 3 CO 0.48 -2.18 0.00 -1.54 0.02 0.00 0.00 177.10 173.88 2aqe n SER 4 N 12.50 1.06 -2.68 -1.22 3.41 -1.26 -5.11 113.62 120.32 2aqe n SER 4 Ca 0.28 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.85 2aqe n SER 4 Cb 0.49 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.55 2aqe n SER 4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aqe n GLY 5 N 5.00 -0.97 0.00 5.00 0.00 -1.26 -4.82 105.19 108.14 2aqe n GLY 5 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.66 2aqe n GLY 5 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2aqe n ARG 6 N 0.42 0.45 -0.63 1.61 0.63 -1.26 -4.10 116.66 113.78 2aqe n ARG 6 Ca -0.04 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 56.98 2aqe n ARG 6 Cb 0.74 -0.86 -0.02 0.00 0.45 0.00 0.00 32.46 32.77 2aqe n ARG 6 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2aqe n ARG 7 N -2.12 -1.26 0.00 -0.14 0.63 -1.26 -4.57 116.66 107.93 2aqe n ARG 7 Ca 0.00 0.83 0.00 0.00 -0.92 0.00 0.00 57.85 57.76 2aqe n ARG 7 Cb 0.36 -1.54 0.00 0.00 0.45 0.00 0.00 32.46 31.73 2aqe n ARG 7 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2aqe n SER 8 N -4.01 2.70 -4.88 6.15 2.88 -1.26 -5.04 113.62 110.17 2aqe n SER 8 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.23 2aqe n SER 8 Cb 0.29 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.69 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 -1.86 3.55 -0.41 -1.46 0.00 -1.26 -5.02 121.76 115.31 2aqe s ALA 9 Ca 0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 51.96 51.38 2aqe s ALA 9 Cb 0.00 -2.44 0.02 0.00 0.00 0.00 0.00 23.12 20.70 2aqe s ALA 9 CO 0.00 0.45 1.21 -1.25 0.00 0.00 0.00 175.76 176.17 2aqe s PRO 10 N -2.94 3.79 0.00 0.00 0.04 -1.26 -4.94 135.00 129.69 2aqe s PRO 10 Ca 0.47 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.36 2aqe s PRO 10 Cb -0.11 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.54 2aqe s PRO 10 CO 0.22 -1.28 0.18 -2.30 0.04 0.00 0.00 177.00 173.85 2aqe n PRO 11 N 7.62 0.00 -3.03 0.56 -0.02 -1.26 -4.82 135.00 134.05 2aqe n PRO 11 Ca 0.13 0.21 -0.15 0.00 -2.02 0.00 0.00 63.50 61.67 2aqe n PRO 11 Cb 0.48 -0.83 0.01 0.00 -0.02 0.00 0.00 33.50 33.14 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 -1.13 -0.32 -1.17 2.45 4.32 -1.26 -4.91 117.00 114.98 2aqe n LEU 12 Ca 0.00 -4.54 -0.14 0.00 -0.02 0.00 0.00 56.01 51.32 2aqe n LEU 12 Cb 0.00 0.79 -0.06 0.00 -1.62 0.00 0.00 43.42 42.53 2aqe n LEU 12 CO 0.00 2.21 -0.13 -3.20 -1.22 0.00 0.00 177.39 175.05 2aqe n ASN 13 N 0.37 -4.85 -1.22 -1.43 2.85 -1.26 -4.61 115.26 105.11 2aqe n ASN 13 Ca 0.18 0.34 0.08 0.00 -0.11 0.00 0.00 54.58 55.08 2aqe n ASN 13 Cb 0.67 -3.99 0.29 0.00 1.24 0.00 0.00 39.78 37.99 2aqe n ASN 13 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2aqe n LEU 14 N -1.69 4.25 -4.52 1.20 7.94 -1.26 -4.74 117.00 118.18 2aqe n LEU 14 Ca -0.14 -2.60 -0.33 0.00 -1.11 0.00 0.00 56.01 51.82 2aqe n LEU 14 Cb 0.56 -0.51 -0.12 0.00 0.53 0.00 0.00 43.42 43.87 2aqe n LEU 14 CO 0.21 0.73 -0.40 0.28 -1.11 0.00 0.00 177.39 177.10 2aqe s THR 15 N -2.11 3.49 0.00 1.96 -1.32 -1.26 -4.48 115.64 111.92 2aqe s THR 15 Ca 0.43 -0.54 0.00 0.00 -1.21 0.00 0.00 61.69 60.37 2aqe s THR 15 Cb 0.30 -2.43 0.00 0.00 -1.51 0.00 0.00 72.50 68.86 2aqe s THR 15 CO 0.17 0.57 0.00 0.61 -2.21 0.00 0.00 174.62 173.76 2aqe n GLY 16 N 2.62 2.98 3.63 6.08 0.00 -1.26 -5.03 105.19 114.21 2aqe n GLY 16 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 1.70 -0.06 0.99 1.43 -1.26 -4.98 118.68 116.50 2aqe s LEU 17 Ca 0.00 1.49 -0.18 0.00 -1.03 0.00 0.00 54.13 54.42 2aqe s LEU 17 Cb 0.00 -3.69 -0.13 0.00 0.03 0.00 0.00 46.19 42.40 2aqe s LEU 17 CO 0.00 -3.31 0.72 1.55 0.23 0.00 0.00 176.35 175.53 2aqe h PRO 18 N -2.01 -0.23 0.00 1.29 0.13 -1.95 -3.24 132.00 125.97 2aqe h PRO 18 Ca -0.54 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2aqe h PRO 18 Cb 1.31 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2aqe h PRO 18 CO 0.53 0.13 0.00 0.78 -0.23 0.00 0.00 178.00 179.21 2aqe h GLY 19 N -0.94 0.00 -0.44 1.56 0.00 -1.93 -3.14 103.07 98.17 2aqe h GLY 19 Ca -0.02 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.52 2aqe h GLY 19 CO 0.04 0.00 0.17 -0.84 0.00 0.00 0.00 176.54 175.91 2aqe h THR 20 N 0.00 0.31 0.00 4.70 2.02 -1.82 0.79 112.91 118.91 2aqe h THR 20 Ca 0.00 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 2aqe h THR 20 Cb 0.20 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 2aqe h THR 20 CO 0.00 0.03 -0.20 -0.08 0.37 0.00 0.00 175.52 175.65 2aqe h GLU 21 N 0.18 0.00 0.00 6.66 4.81 -1.69 -3.14 114.58 121.39 2aqe h GLU 21 Ca 0.52 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.68 2aqe h GLU 21 Cb 1.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 2aqe h GLU 21 CO -0.67 0.00 -0.29 0.87 -0.73 0.00 0.00 179.01 178.19 2aqe h LYS 22 N 0.00 0.00 -6.52 1.92 1.79 0.40 -3.40 116.57 110.76 2aqe h LYS 22 Ca -0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 2aqe h LYS 22 Cb 1.00 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.58 2aqe h LYS 22 CO 0.00 0.29 0.99 -0.51 -1.08 0.00 0.00 179.45 179.14 2aqe s LEU 23 N -7.23 3.40 1.04 2.94 1.43 -0.33 -5.00 118.68 114.93 2aqe s LEU 23 Ca -0.01 -0.02 -0.19 0.00 -1.03 0.00 0.00 54.13 52.89 2aqe s LEU 23 Cb 0.12 -3.03 -0.00 0.00 0.03 0.00 0.00 46.19 43.30 2aqe s LEU 23 CO 0.66 -1.55 -0.29 -3.20 0.23 0.00 0.00 176.35 172.19 2aqe n ASN 24 N 8.62 -2.92 -0.29 2.29 5.15 -1.26 -3.72 115.26 123.13 2aqe n ASN 24 Ca 0.07 0.06 0.18 0.00 -0.60 0.00 0.00 54.58 54.29 2aqe n ASN 24 Cb 0.49 -0.91 0.45 0.00 -0.53 0.00 0.00 39.78 39.28 2aqe n ASN 24 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 2aqe h GLU 25 N -1.59 0.52 0.04 1.20 4.81 -1.94 1.34 114.58 118.96 2aqe h GLU 25 Ca -0.47 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2aqe h GLU 25 Cb 1.34 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2aqe h GLU 25 CO 0.32 0.34 -0.02 0.87 -0.73 0.00 0.00 179.01 179.79 2aqe h LYS 26 N 0.53 -0.06 -0.03 1.92 1.57 -2.01 -2.26 116.57 116.23 2aqe h LYS 26 Ca 0.53 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.21 2aqe h LYS 26 Cb 1.13 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 2aqe h LYS 26 CO -0.26 0.22 -0.45 0.93 -0.57 0.00 0.00 179.45 179.32 2aqe h GLU 27 N -0.34 0.08 0.16 3.15 5.08 -1.44 -2.52 114.58 118.74 2aqe h GLU 27 Ca -0.01 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2aqe h GLU 27 Cb 0.31 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 2aqe h GLU 27 CO 0.01 0.51 -0.40 0.87 -1.00 0.00 0.00 179.01 179.01 2aqe h LYS 28 N 0.07 -0.63 -0.53 2.33 1.57 0.20 0.15 116.57 119.72 2aqe h LYS 28 Ca 0.00 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2aqe h LYS 28 Cb 0.82 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 2aqe h LYS 28 CO 0.06 -0.42 0.28 1.49 -0.57 0.00 0.00 179.45 180.29 2aqe h GLU 29 N -0.65 0.74 -0.71 3.15 4.22 -1.36 -1.50 114.58 118.47 2aqe h GLU 29 Ca 0.02 -0.10 0.16 0.00 0.08 0.00 0.00 59.36 59.52 2aqe h GLU 29 Cb 0.67 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 2aqe h GLU 29 CO -0.21 0.59 0.48 1.25 -2.18 0.00 0.00 179.01 178.95 2aqe h LEU 30 N 0.70 0.25 -0.03 1.64 5.85 -0.96 0.06 115.31 122.83 2aqe h LEU 30 Ca 0.18 0.02 -0.26 0.00 0.84 0.00 0.00 57.88 58.66 2aqe h LEU 30 Cb 0.07 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.08 2aqe h LEU 30 CO -0.03 0.13 -1.09 0.00 -0.34 0.00 0.00 178.44 177.11 2aqe h GLN 32 N 0.23 0.00 0.20 0.00 4.20 -0.11 -2.46 115.11 117.16 2aqe h GLN 32 Ca -0.12 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 2aqe h GLN 32 Cb 1.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.53 2aqe h GLN 32 CO 0.19 0.05 -0.10 0.28 -0.67 0.00 0.00 178.83 178.59 2aqe h VAL 33 N 0.00 0.00 -2.23 -0.54 2.07 -1.36 -3.36 116.25 110.83 2aqe h VAL 33 Ca -0.00 -0.80 -0.74 0.00 0.82 0.00 0.00 66.70 65.98 2aqe h VAL 33 Cb 0.10 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.69 2aqe h VAL 33 CO 0.01 0.00 1.32 1.33 0.02 0.00 0.00 177.57 180.25 2aqe n VAL 34 N -4.94 4.27 -1.50 2.57 0.24 -1.06 -4.95 118.33 112.96 2aqe n VAL 34 Ca -0.03 -4.76 -0.31 0.00 -2.04 0.00 0.00 64.34 57.19 2aqe n VAL 34 Cb 0.11 -2.47 -0.18 0.00 -1.47 0.00 0.00 33.84 29.82 2aqe n VAL 34 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2aqe n ARG 35 N 5.48 0.03 -3.68 7.34 -4.01 -0.95 -4.71 116.66 116.17 2aqe n ARG 35 Ca 0.36 -0.02 -0.21 0.00 -1.04 0.00 0.00 57.85 56.95 2aqe n ARG 35 Cb 0.42 -1.34 -0.18 0.00 -3.04 0.00 0.00 32.46 28.32 2aqe n ARG 35 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 2aqe s LEU 36 N 4.90 0.23 0.30 2.89 1.02 -1.25 -5.09 118.68 121.69 2aqe s LEU 36 Ca 1.33 -0.01 -0.27 0.00 0.02 0.00 0.00 54.13 55.19 2aqe s LEU 36 Cb -1.02 -0.19 -0.14 0.00 0.02 0.00 0.00 46.19 44.86 2aqe s LEU 36 CO 0.52 -0.25 0.99 1.33 0.02 0.00 0.00 176.35 178.95 2aqe n VAL 37 N 5.27 2.03 0.02 -1.59 0.24 -1.26 -4.50 118.33 118.54 2aqe n VAL 37 Ca -0.04 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.34 61.64 2aqe n VAL 37 Cb 0.50 -0.99 -0.05 0.00 -1.47 0.00 0.00 33.84 31.83 2aqe n VAL 37 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 2aqe h PRO 38 N 1.90 -0.46 -1.01 7.34 0.11 -1.90 0.27 132.00 138.25 2aqe h PRO 38 Ca -0.40 0.03 0.26 0.00 0.11 0.00 0.00 66.00 66.01 2aqe h PRO 38 Cb 1.34 0.10 -0.13 0.00 0.11 0.00 0.00 31.00 32.43 2aqe h PRO 38 CO 0.60 -0.31 0.60 0.78 -0.21 0.00 0.00 178.00 179.46 2aqe h GLY 39 N -0.48 1.90 0.27 -0.55 0.00 -1.92 1.24 103.07 103.53 2aqe h GLY 39 Ca 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 2aqe h GLY 39 CO -0.35 -0.29 -0.12 0.00 0.00 0.00 0.00 176.54 175.79 2aqe h ALA 40 N 1.75 -0.32 -0.93 3.60 0.00 -1.56 -2.68 119.26 119.11 2aqe h ALA 40 Ca 0.66 -0.11 0.23 0.00 0.00 0.00 0.00 54.91 55.70 2aqe h ALA 40 Cb 1.35 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 2aqe h ALA 40 CO -0.49 -0.31 0.63 -0.92 0.00 0.00 0.00 179.25 178.16 2aqe h TYR 41 N -1.06 0.42 0.04 0.00 3.20 0.31 0.50 116.97 120.38 2aqe h TYR 41 Ca -0.03 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 2aqe h TYR 41 Cb 0.32 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.47 2aqe h TYR 41 CO 0.02 0.09 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.54 2aqe h LEU 42 N 0.29 -0.05 0.33 2.82 3.38 0.15 -1.10 115.31 121.14 2aqe h LEU 42 Ca 0.49 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 2aqe h LEU 42 Cb 1.40 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.14 2aqe h LEU 42 CO -0.15 0.13 -0.28 -0.33 0.09 0.00 0.00 178.44 177.90 2aqe h GLU 43 N -0.24 -0.61 -0.24 1.13 5.08 -0.58 0.13 114.58 119.25 2aqe h GLU 43 Ca -0.01 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 2aqe h GLU 43 Cb 0.21 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.52 2aqe h GLU 43 CO 0.01 -0.40 -0.44 1.88 -1.00 0.00 0.00 179.01 179.05 2aqe h TYR 44 N -0.63 -1.29 -0.84 4.33 0.05 -1.26 0.19 116.97 117.52 2aqe h TYR 44 Ca -0.02 0.06 0.15 0.00 0.05 0.00 0.00 58.73 58.96 2aqe h TYR 44 Cb 0.56 0.60 -0.09 0.00 1.01 0.00 0.00 36.73 38.81 2aqe h TYR 44 CO -0.16 -0.47 0.43 -0.22 -1.05 0.00 0.00 178.16 176.69 2aqe h LYS 45 N -0.44 0.60 -0.60 4.88 3.64 -0.99 0.46 116.57 124.12 2aqe h LYS 45 Ca 0.09 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.49 2aqe h LYS 45 Cb 0.62 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 2aqe h LYS 45 CO -0.47 0.39 0.40 0.77 -2.27 0.00 0.00 179.45 178.27 2aqe h SER 46 N 0.61 0.52 0.68 4.20 0.02 0.21 0.14 113.55 119.93 2aqe h SER 46 Ca 0.46 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.34 2aqe h SER 46 Cb 0.65 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2aqe h SER 46 CO -0.36 0.34 -0.31 0.00 -1.14 0.00 0.00 176.83 175.36 2aqe h ALA 47 N 1.67 1.12 0.14 3.77 0.00 0.20 -1.46 119.26 124.70 2aqe h ALA 47 Ca 0.26 -0.28 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 2aqe h ALA 47 Cb 0.25 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2aqe h ALA 47 CO -0.07 0.39 -1.26 -0.07 0.00 0.00 0.00 179.25 178.23 2aqe h LEU 48 N 0.00 0.54 -0.30 0.00 3.38 -0.07 -1.47 115.31 117.40 2aqe h LEU 48 Ca -0.00 -0.56 -0.19 0.00 0.09 0.00 0.00 57.88 57.21 2aqe h LEU 48 Cb 0.74 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2aqe h LEU 48 CO 0.04 1.43 -0.64 0.25 0.09 0.00 0.00 178.44 179.61 2aqe h LEU 49 N 0.11 0.87 0.03 1.67 7.12 -0.99 -2.46 115.31 121.66 2aqe h LEU 49 Ca -0.16 -0.51 -0.00 0.00 0.13 0.00 0.00 57.88 57.35 2aqe h LEU 49 Cb 1.97 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 41.85 2aqe h LEU 49 CO 0.22 1.29 -0.01 -1.13 -0.13 0.00 0.00 178.44 178.67 2aqe h ASN 50 N 0.56 -0.03 -0.97 1.25 -1.24 -1.36 -2.30 115.58 111.49 2aqe h ASN 50 Ca -0.01 -0.53 0.17 0.00 0.71 0.00 0.00 56.30 56.64 2aqe h ASN 50 Cb 1.24 0.01 -0.09 0.00 0.73 0.00 0.00 38.32 40.21 2aqe h ASN 50 CO 0.13 0.71 0.61 -0.08 -1.29 0.00 0.00 177.43 177.52 2aqe h GLU 51 N -0.98 0.73 -0.01 6.67 4.57 -1.39 -1.88 114.58 122.29 2aqe h GLU 51 Ca -0.00 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 2aqe h GLU 51 Cb 0.55 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 2aqe h GLU 51 CO 0.01 0.48 -0.04 0.00 -1.18 0.00 0.00 179.01 178.28 2aqe h HIS 53 N -0.56 0.00 0.08 0.00 -0.00 -0.77 -1.99 115.15 111.91 2aqe h HIS 53 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2aqe h HIS 53 Cb 0.66 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.06 2aqe h HIS 53 CO 0.14 0.00 -0.13 0.87 -0.00 0.00 0.00 177.93 178.81 2aqe h LYS 54 N 0.00 -0.21 0.00 5.26 1.57 -1.30 -3.37 116.57 118.52 2aqe h LYS 54 Ca 0.29 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2aqe h LYS 54 Cb 1.34 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.70 2aqe h LYS 54 CO -0.00 -0.14 -0.05 1.96 -0.57 0.00 0.00 179.45 180.64 2aqe h GLN 55 N -0.22 0.00 0.00 3.15 1.08 -1.64 -3.50 115.11 113.98 2aqe h GLN 55 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2aqe h GLN 55 Cb 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 2aqe h GLN 55 CO -0.04 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.25 2aqe n GLY 56 N 1.86 0.77 0.00 3.46 0.00 -0.78 -5.03 105.19 105.47 2aqe n GLY 56 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 0.00 3.70 -0.02 0.00 -1.26 -5.03 105.19 102.58 2aqe n GLY 57 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2aqe n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aqe n LEU 58 N 0.00 5.43 -4.79 0.99 7.99 -1.26 -4.83 117.00 120.53 2aqe n LEU 58 Ca 0.00 0.78 -0.37 0.00 -0.01 0.00 0.00 56.01 56.41 2aqe n LEU 58 Cb 0.00 -1.52 -0.07 0.00 -0.11 0.00 0.00 43.42 41.72 2aqe n LEU 58 CO 0.00 -1.25 -0.03 -0.60 -1.51 0.00 0.00 177.39 174.00 2aqe s ARG 59 N -3.41 3.99 0.32 3.23 3.52 -1.26 -4.22 118.95 121.11 2aqe s ARG 59 Ca 0.80 0.10 0.06 0.00 -0.13 0.00 0.00 55.73 56.56 2aqe s ARG 59 Cb -0.37 -3.32 0.71 0.00 -1.56 0.00 0.00 34.95 30.41 2aqe s ARG 59 CO 0.43 0.47 1.84 1.25 -0.81 0.00 0.00 175.30 178.48 2aqe h LEU 60 N 5.82 0.78 0.24 -0.88 5.85 -1.94 -1.97 115.31 123.22 2aqe h LEU 60 Ca -0.47 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.32 2aqe h LEU 60 Cb 1.19 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 2aqe h LEU 60 CO 0.68 0.38 -0.45 0.00 -0.34 0.00 0.00 178.44 178.71 2aqe h ALA 61 N 1.58 -0.88 -0.96 1.25 0.00 -1.95 0.63 119.26 118.93 2aqe h ALA 61 Ca 0.50 -0.11 0.24 0.00 0.00 0.00 0.00 54.91 55.53 2aqe h ALA 61 Cb 0.69 0.71 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 2aqe h ALA 61 CO -0.26 -1.05 0.64 1.96 0.00 0.00 0.00 179.25 180.53 2aqe h GLN 62 N -0.77 0.34 -0.45 0.00 1.08 -1.79 0.65 115.11 114.18 2aqe h GLN 62 Ca -0.01 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 2aqe h GLN 62 Cb 0.74 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.07 2aqe h GLN 62 CO -0.18 0.23 0.10 0.00 -0.95 0.00 0.00 178.83 178.02 2aqe h ALA 63 N 1.60 1.33 -0.58 3.87 0.00 -0.40 0.54 119.26 125.61 2aqe h ALA 63 Ca 0.51 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 2aqe h ALA 63 Cb 1.38 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2aqe h ALA 63 CO -0.19 0.47 0.36 0.00 0.00 0.00 0.00 179.25 179.88 2aqe h ARG 64 N 0.66 0.79 -0.01 0.00 2.47 0.16 -2.07 114.38 116.37 2aqe h ARG 64 Ca 0.15 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 2aqe h ARG 64 Cb 0.26 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 2aqe h ARG 64 CO -0.00 0.56 -0.05 0.00 0.56 0.00 0.00 179.97 181.04 2aqe n ALA 65 N -2.28 2.67 -0.79 0.04 0.00 -0.89 -4.47 120.51 114.79 2aqe n ALA 65 Ca 0.04 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2aqe n ALA 65 Cb 0.05 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 0.09 1.51 0.00 0.00 7.94 0.18 -5.02 117.00 121.70 2aqe n LEU 66 Ca 0.17 0.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 2aqe n LEU 66 Cb 0.37 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.21 2aqe n LEU 66 CO 0.18 -0.11 0.00 2.30 -1.11 0.00 0.00 177.39 178.66 2aqe n ILE 67 N -1.14 0.00 -3.58 1.96 -5.35 -1.18 -4.96 119.36 105.11 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 -1.46 0.00 0.00 -1.74 0.00 0.00 39.64 36.44 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 -0.79 0.00 0.00 6.28 4.76 -1.26 -4.67 118.16 122.48 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 0.00 0.00 0.00 -0.18 -6.64 -1.26 -5.04 119.36 106.23 2aqe n ILE 69 Ca 0.00 -0.07 0.00 0.00 -1.77 0.00 0.00 62.75 60.91 2aqe n ILE 69 Cb 0.00 1.06 0.00 0.00 -1.44 0.00 0.00 39.64 39.26 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 -0.14 0.00 0.00 7.28 9.92 -1.26 -5.11 116.55 127.24 2aqe n ASP 70 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2aqe n ASP 70 Cb 0.01 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 2aqe n ASP 70 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 2aqe n VAL 71 N -0.33 0.00 0.21 2.53 3.14 -1.26 -4.71 118.33 117.90 2aqe n VAL 71 Ca 0.00 0.00 0.07 0.00 -2.96 0.00 0.00 64.34 61.45 2aqe n VAL 71 Cb 0.00 0.00 0.44 0.00 -1.06 0.00 0.00 33.84 33.22 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 0.34 6.55 2.35 -1.98 -0.72 115.58 122.13 2aqe h ASN 72 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 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 0.29 -0.17 0.11 -1.65 0.00 0.00 177.43 176.02 2aqe h LYS 73 N 0.00 -0.45 -0.26 0.81 6.56 -1.97 -2.54 116.57 118.72 2aqe h LYS 73 Ca -0.00 0.03 -0.10 0.00 -1.06 0.00 0.00 60.65 59.52 2aqe h LYS 73 Cb 0.72 0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 32.48 2aqe h LYS 73 CO 0.04 -0.21 -0.23 1.15 -2.06 0.00 0.00 179.45 178.13 2aqe h THR 74 N -0.60 1.31 -1.18 -0.16 2.02 -1.85 -2.83 112.91 109.62 2aqe h THR 74 Ca -0.05 -1.38 0.34 0.00 0.77 0.00 0.00 66.41 66.08 2aqe h THR 74 Cb 0.44 1.61 -0.07 0.00 -1.74 0.00 0.00 68.15 68.39 2aqe h THR 74 CO 0.08 0.44 0.81 -0.09 0.37 0.00 0.00 175.52 177.13 2aqe h ARG 75 N 0.35 0.14 0.02 6.66 1.12 -1.07 0.46 114.38 122.05 2aqe h ARG 75 Ca 0.05 -0.01 -0.12 0.00 -1.11 0.00 0.00 59.98 58.79 2aqe h ARG 75 Cb 0.78 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.70 2aqe h ARG 75 CO 0.06 0.09 -0.61 0.87 -3.11 0.00 0.00 179.97 177.27 2aqe h LYS 76 N 0.14 0.04 0.10 0.20 1.57 -1.28 -1.95 116.57 115.40 2aqe h LYS 76 Ca 0.61 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.32 2aqe h LYS 76 Cb 2.10 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.43 2aqe h LYS 76 CO -0.14 1.03 -0.05 0.82 -0.57 0.00 0.00 179.45 180.54 2aqe h ILE 77 N -0.90 0.95 -0.66 1.86 2.04 -1.06 -2.76 117.51 116.98 2aqe h ILE 77 Ca -0.16 -0.20 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 2aqe h ILE 77 Cb 1.21 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 2aqe h ILE 77 CO -0.06 0.05 0.11 0.22 0.00 0.00 0.00 178.15 178.47 2aqe h TYR 78 N -0.23 1.16 -0.52 1.37 3.20 -0.28 -2.80 116.97 118.86 2aqe h TYR 78 Ca -0.01 -0.16 0.06 0.00 3.14 0.00 0.00 58.73 61.76 2aqe h TYR 78 Cb 0.19 -0.32 -0.05 0.00 1.54 0.00 0.00 36.73 38.09 2aqe h TYR 78 CO -0.04 0.97 0.23 0.22 -1.64 0.00 0.00 178.16 177.90 2aqe h ASP 79 N 1.01 0.30 0.55 -2.11 1.82 -1.25 0.51 116.42 117.25 2aqe h ASP 79 Ca 0.20 0.04 -0.03 0.00 -0.39 0.00 0.00 57.03 56.86 2aqe h ASP 79 Cb 0.43 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.44 2aqe h ASP 79 CO 0.01 0.20 -0.29 0.15 -1.61 0.00 0.00 179.24 177.70 2aqe h PHE 80 N 0.45 -0.77 -0.85 0.28 3.57 -1.33 -0.65 116.94 117.63 2aqe h PHE 80 Ca 0.24 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.89 2aqe h PHE 80 Cb 0.21 0.26 -0.06 0.00 2.79 0.00 0.00 35.95 39.15 2aqe h PHE 80 CO -0.13 -0.46 0.56 -0.07 -2.23 0.00 0.00 178.31 175.98 2aqe h LEU 81 N -0.78 0.52 0.00 0.59 3.38 -1.36 -0.33 115.31 117.32 2aqe h LEU 81 Ca -0.08 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2aqe h LEU 81 Cb 0.61 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2aqe h LEU 81 CO 0.11 0.25 0.00 -0.38 0.09 0.00 0.00 178.44 178.50 2aqe n ILE 82 N -4.53 0.00 0.02 1.22 2.08 0.18 -2.02 119.36 116.31 2aqe n ILE 82 Ca 0.17 0.89 0.22 0.00 0.56 0.00 0.00 62.75 64.59 2aqe n ILE 82 Cb 0.54 -1.72 0.64 0.00 -0.75 0.00 0.00 39.64 38.36 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 -1.09 -3.41 114.38 110.26 2aqe h ARG 83 Ca 0.00 0.00 -0.45 0.00 -0.50 0.00 0.00 59.98 59.03 2aqe h ARG 83 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 29.97 30.07 2aqe h ARG 83 CO 0.00 0.00 0.16 0.39 0.00 0.00 0.00 179.97 180.52 2aqe n GLU 84 N -3.47 -0.29 -2.22 0.04 -0.58 -0.14 -4.97 120.64 109.01 2aqe n GLU 84 Ca 0.11 -2.57 -0.42 0.00 -0.42 0.00 0.00 57.16 53.86 2aqe n GLU 84 Cb 0.90 -0.76 0.00 0.00 -0.57 0.00 0.00 31.44 31.01 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 -2.69 4.74 1.70 0.62 0.00 -1.26 -4.46 105.19 103.83 2aqe n GLY 85 Ca 0.16 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 4.11 -0.53 -1.40 1.61 4.01 -1.13 -5.10 117.16 118.73 2aqe n TYR 86 Ca 0.42 0.09 0.00 0.00 -0.16 0.00 0.00 57.90 58.26 2aqe n TYR 86 Cb 0.36 0.37 0.00 0.00 -0.31 0.00 0.00 39.34 39.76 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 -2.79 0.00 -0.29 -0.72 -5.35 -0.85 -4.94 119.36 104.42 2aqe n ILE 87 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2aqe n ILE 87 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 2aqe n ILE 87 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 2aqe n THR 88 N 0.00 0.00 -1.99 7.28 5.66 -1.26 -4.76 114.28 119.21 2aqe n THR 88 Ca 0.00 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2aqe n THR 88 Cb 0.00 -1.45 0.00 0.00 -1.55 0.00 0.00 70.33 67.33 2aqe n THR 88 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2aqe n LYS 89 N -0.51 0.02 0.00 1.09 4.81 -1.26 -4.21 118.16 118.10 2aqe n LYS 89 Ca 0.00 -0.03 0.14 0.00 -0.87 0.00 0.00 58.31 57.55 2aqe n LYS 89 Cb 0.00 0.26 0.61 0.00 0.02 0.00 0.00 35.03 35.93 2aqe n LYS 89 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57