#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 1.03 -3.68 1.61 2.88 -1.26 -5.12 113.62 109.08 2aqe n SER 2 Ca 0.00 -1.89 -0.01 0.00 -1.33 0.00 0.00 58.87 55.63 2aqe n SER 2 Cb 0.00 -0.56 -0.01 0.00 -0.75 0.00 0.00 64.21 62.89 2aqe n SER 2 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2aqe s ASN 3 N -4.40 -0.11 -0.24 -3.46 2.20 -1.26 -5.18 114.94 102.49 2aqe s ASN 3 Ca 0.55 -0.33 -0.23 0.00 -0.94 0.00 0.00 52.86 51.91 2aqe s ASN 3 Cb -0.03 0.36 0.06 0.00 -2.00 0.00 0.00 41.25 39.65 2aqe s ASN 3 CO 0.37 -0.67 0.66 -0.44 -2.94 0.00 0.00 177.10 174.07 2aqe s SER 4 N -3.02 -0.69 -0.30 3.54 0.01 -1.26 -5.03 113.70 106.96 2aqe s SER 4 Ca 0.14 1.30 -0.14 0.00 1.31 0.00 0.00 55.95 58.56 2aqe s SER 4 Cb 0.01 1.31 0.14 0.00 0.21 0.00 0.00 66.02 67.69 2aqe s SER 4 CO 0.00 -0.25 0.89 -0.83 0.41 0.00 0.00 173.24 173.46 2aqe s GLY 5 N 0.27 -0.29 -0.28 3.44 0.00 -1.26 -4.60 107.32 104.61 2aqe s GLY 5 Ca -0.01 2.87 -0.26 0.00 0.00 0.00 0.00 44.72 47.32 2aqe s GLY 5 CO 0.01 2.95 1.25 -1.60 0.00 0.00 0.00 173.10 175.71 2aqe s ARG 6 N 2.17 0.27 -0.05 2.90 3.52 -1.26 -5.14 118.95 121.35 2aqe s ARG 6 Ca -0.06 0.25 -0.21 0.00 -0.13 0.00 0.00 55.73 55.58 2aqe s ARG 6 Cb -0.06 0.13 -0.05 0.00 -1.56 0.00 0.00 34.95 33.41 2aqe s ARG 6 CO -0.17 -0.05 0.59 0.50 -0.81 0.00 0.00 175.30 175.36 2aqe s ARG 7 N -0.16 4.35 0.02 5.12 3.52 -1.26 -5.05 118.95 125.49 2aqe s ARG 7 Ca 0.05 0.69 -0.27 0.00 -0.13 0.00 0.00 55.73 56.07 2aqe s ARG 7 Cb -0.04 -3.39 0.09 0.00 -1.56 0.00 0.00 34.95 30.05 2aqe s ARG 7 CO -0.10 0.25 0.74 0.45 -0.81 0.00 0.00 175.30 175.83 2aqe s SER 8 N 0.24 -0.52 0.36 -2.12 0.15 -1.26 -5.14 113.70 105.41 2aqe s SER 8 Ca 0.31 0.24 0.00 0.00 0.70 0.00 0.00 55.95 57.21 2aqe s SER 8 Cb -0.17 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2aqe s SER 8 CO 0.16 -0.71 0.00 0.00 1.20 0.00 0.00 173.24 173.89 2aqe n ALA 9 N 0.14 -3.40 -2.14 5.45 0.00 -1.26 -4.50 120.51 114.80 2aqe n ALA 9 Ca -0.15 0.51 -0.43 0.00 0.00 0.00 0.00 53.44 53.38 2aqe n ALA 9 Cb 0.61 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.82 2aqe n ALA 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2aqe s PRO 10 N -3.01 3.62 0.19 0.00 0.04 -1.26 -4.94 135.00 129.63 2aqe s PRO 10 Ca 0.00 1.43 -0.33 0.00 0.04 0.00 0.00 61.00 62.14 2aqe s PRO 10 Cb 0.00 -4.07 -0.13 0.00 0.04 0.00 0.00 34.50 30.34 2aqe s PRO 10 CO 0.00 -1.51 1.61 -2.30 0.04 0.00 0.00 177.00 174.85 2aqe n PRO 11 N 7.96 2.39 -0.45 0.56 -0.02 -1.26 -4.99 135.00 139.17 2aqe n PRO 11 Ca 0.19 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 2aqe n PRO 11 Cb 0.46 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 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 3.41 0.00 0.19 2.45 4.32 -1.26 -4.90 117.00 121.22 2aqe n LEU 12 Ca 0.16 0.00 0.13 0.00 -0.02 0.00 0.00 56.01 56.28 2aqe n LEU 12 Cb 0.31 0.00 0.69 0.00 -1.62 0.00 0.00 43.42 42.80 2aqe n LEU 12 CO 0.64 -0.12 0.90 0.78 -1.22 0.00 0.00 177.39 178.36 2aqe h ASN 13 N 0.00 0.00 1.39 -1.43 2.35 -1.94 -0.88 115.58 115.07 2aqe h ASN 13 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 2aqe h ASN 13 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2aqe h ASN 13 CO 0.00 0.00 -0.25 0.25 -1.65 0.00 0.00 177.43 175.78 2aqe h LEU 14 N 0.00 0.00 -9.49 1.61 5.85 -1.90 -3.44 115.31 107.95 2aqe h LEU 14 Ca 0.00 0.00 -0.57 0.00 0.84 0.00 0.00 57.88 58.15 2aqe h LEU 14 Cb 0.06 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 2aqe h LEU 14 CO 0.00 0.25 0.00 0.42 -0.34 0.00 0.00 178.44 178.77 2aqe s THR 15 N -3.31 4.94 0.00 1.05 -4.23 -0.34 -3.93 115.64 109.82 2aqe s THR 15 Ca 0.03 1.28 0.00 0.00 -1.18 0.00 0.00 61.69 61.82 2aqe s THR 15 Cb 0.08 -3.95 0.00 0.00 1.34 0.00 0.00 72.50 69.97 2aqe s THR 15 CO 0.67 0.38 0.00 0.61 -0.54 0.00 0.00 174.62 175.75 2aqe n GLY 16 N 2.60 1.88 3.34 3.99 0.00 -1.26 -4.84 105.19 110.90 2aqe n GLY 16 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 2aqe n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aqe n LEU 17 N 0.00 0.00 -4.88 0.99 4.77 -1.25 -5.12 117.00 111.50 2aqe n LEU 17 Ca 0.00 -2.44 -0.30 0.00 -0.03 0.00 0.00 56.01 53.24 2aqe n LEU 17 Cb 0.00 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 2aqe n LEU 17 CO 0.00 -0.57 0.32 -2.16 -1.33 0.00 0.00 177.39 173.65 2aqe s PRO 18 N -4.04 3.74 0.00 3.23 0.04 -1.26 -4.05 135.00 132.66 2aqe s PRO 18 Ca 0.32 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.64 2aqe s PRO 18 Cb -0.03 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.99 2aqe s PRO 18 CO 0.21 0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.77 2aqe n GLY 19 N -0.95 2.82 0.28 0.56 0.00 -1.26 -3.89 105.19 102.75 2aqe n GLY 19 Ca 0.01 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.59 2aqe n GLY 19 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2aqe h THR 20 N 0.00 0.57 0.00 2.61 2.02 -1.83 0.47 112.91 116.75 2aqe h THR 20 Ca 0.00 -0.13 -0.09 0.00 0.77 0.00 0.00 66.41 66.97 2aqe h THR 20 Cb 0.00 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 2aqe h THR 20 CO 0.00 0.07 -0.42 -0.08 0.37 0.00 0.00 175.52 175.46 2aqe h GLU 21 N 0.37 0.00 0.00 6.66 4.57 -1.86 -2.41 114.58 121.91 2aqe h GLU 21 Ca 0.44 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.56 2aqe h GLU 21 Cb 0.74 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 2aqe h GLU 21 CO -0.47 0.42 -0.27 0.87 -1.18 0.00 0.00 179.01 178.38 2aqe h LYS 22 N 0.00 0.00 -6.73 1.92 1.79 -0.36 -3.38 116.57 109.81 2aqe h LYS 22 Ca -0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 2aqe h LYS 22 Cb 0.76 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.48 2aqe h LYS 22 CO 0.05 0.27 0.87 -0.51 -1.08 0.00 0.00 179.45 179.05 2aqe s LEU 23 N -7.26 4.36 0.00 2.94 1.43 -0.55 -4.87 118.68 114.73 2aqe s LEU 23 Ca -0.01 2.80 0.00 0.00 -1.03 0.00 0.00 54.13 55.89 2aqe s LEU 23 Cb 0.12 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.72 2aqe s LEU 23 CO 0.65 -0.85 0.00 -3.20 0.23 0.00 0.00 176.35 173.18 2aqe n ASN 24 N 2.83 -1.42 -0.06 2.29 5.15 -1.26 -4.42 115.26 118.36 2aqe n ASN 24 Ca 0.10 -0.23 -0.15 0.00 -0.60 0.00 0.00 54.58 53.70 2aqe n ASN 24 Cb 0.38 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.58 2aqe n ASN 24 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2aqe h GLU 25 N 0.00 0.77 0.05 1.20 5.08 -1.96 -1.12 114.58 118.60 2aqe h GLU 25 Ca 0.00 -0.51 -0.25 0.00 -1.00 0.00 0.00 59.36 57.60 2aqe h GLU 25 Cb 0.00 0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.33 2aqe h GLU 25 CO 0.00 1.14 -1.06 0.87 -1.00 0.00 0.00 179.01 178.96 2aqe h LYS 26 N 0.51 0.41 -0.18 2.33 1.57 -2.00 -3.22 116.57 115.99 2aqe h LYS 26 Ca 0.00 -0.50 -0.12 0.00 -1.87 0.00 0.00 60.65 58.15 2aqe h LYS 26 Cb 1.13 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2aqe h LYS 26 CO 0.12 1.17 -0.37 0.93 -0.57 0.00 0.00 179.45 180.73 2aqe h GLU 27 N 0.20 0.57 -0.23 3.15 5.08 -1.89 -1.56 114.58 119.89 2aqe h GLU 27 Ca -0.11 -0.37 0.06 0.00 -1.00 0.00 0.00 59.36 57.94 2aqe h GLU 27 Cb 1.72 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.95 2aqe h GLU 27 CO 0.18 0.98 -0.26 0.87 -1.00 0.00 0.00 179.01 179.79 2aqe h LYS 28 N 0.22 -0.27 -0.55 2.33 1.57 -1.29 0.48 116.57 119.06 2aqe h LYS 28 Ca 0.00 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2aqe h LYS 28 Cb 0.97 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 2aqe h LYS 28 CO 0.08 -0.18 0.05 1.49 -0.57 0.00 0.00 179.45 180.32 2aqe h GLU 29 N -0.28 0.91 -0.84 3.15 4.81 -1.59 -1.21 114.58 119.53 2aqe h GLU 29 Ca 0.13 -0.24 0.08 0.00 -0.13 0.00 0.00 59.36 59.20 2aqe h GLU 29 Cb 0.48 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.68 2aqe h GLU 29 CO -0.39 0.87 0.51 1.25 -0.73 0.00 0.00 179.01 180.52 2aqe h LEU 30 N 0.85 0.77 -0.37 1.64 5.85 -0.12 -1.15 115.31 122.79 2aqe h LEU 30 Ca 0.17 0.03 -0.19 0.00 0.84 0.00 0.00 57.88 58.73 2aqe h LEU 30 Cb 0.43 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2aqe h LEU 30 CO 0.02 0.47 -0.81 0.00 -0.34 0.00 0.00 178.44 177.78 2aqe h GLN 32 N 0.14 0.00 0.00 0.00 1.08 -0.10 -3.08 115.11 113.15 2aqe h GLN 32 Ca -0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2aqe h GLN 32 Cb 1.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.84 2aqe h GLN 32 CO 0.13 0.14 -0.07 0.28 -0.95 0.00 0.00 178.83 178.35 2aqe h VAL 33 N 0.00 0.00 -0.54 -0.54 2.07 -1.13 -3.38 116.25 112.73 2aqe h VAL 33 Ca -0.00 -0.71 -0.66 0.00 0.82 0.00 0.00 66.70 66.16 2aqe h VAL 33 Cb 0.29 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.00 2aqe h VAL 33 CO 0.02 0.00 2.37 0.55 0.02 0.00 0.00 177.57 180.53 2aqe n VAL 34 N -3.96 3.52 -0.81 2.57 3.14 -0.92 -4.88 118.33 117.00 2aqe n VAL 34 Ca -0.01 -3.48 -0.15 0.00 -2.96 0.00 0.00 64.34 57.74 2aqe n VAL 34 Cb 0.04 -2.41 -0.11 0.00 -1.06 0.00 0.00 33.84 30.30 2aqe n VAL 34 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2aqe n ARG 35 N 7.67 0.00 -3.88 1.45 1.74 -1.17 -4.72 116.66 117.75 2aqe n ARG 35 Ca 0.50 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.39 2aqe n ARG 35 Cb 0.44 -0.62 -0.06 0.00 -1.02 0.00 0.00 32.46 31.19 2aqe n ARG 35 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2aqe n LEU 36 N 3.82 0.00 -4.87 0.55 7.94 -1.21 -4.99 117.00 118.23 2aqe n LEU 36 Ca 0.36 -2.53 -0.21 0.00 -1.11 0.00 0.00 56.01 52.52 2aqe n LEU 36 Cb 0.06 1.04 -0.03 0.00 0.53 0.00 0.00 43.42 45.02 2aqe n LEU 36 CO 0.57 -0.40 -0.10 0.68 -1.11 0.00 0.00 177.39 177.02 2aqe s VAL 37 N -2.91 4.24 -0.00 1.96 -7.23 -1.26 -3.47 120.40 111.73 2aqe s VAL 37 Ca 0.23 -1.29 -0.00 0.00 -1.81 0.00 0.00 61.98 59.10 2aqe s VAL 37 Cb 0.01 -3.40 -0.00 0.00 0.56 0.00 0.00 36.38 33.55 2aqe s VAL 37 CO 0.16 -0.27 0.53 -0.65 -0.31 0.00 0.00 175.10 174.56 2aqe h PRO 38 N 1.31 -0.00 -1.25 4.82 0.11 -1.84 -2.68 132.00 132.47 2aqe h PRO 38 Ca -0.48 0.00 0.36 0.00 0.11 0.00 0.00 66.00 66.00 2aqe h PRO 38 Cb 1.24 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.28 2aqe h PRO 38 CO 0.59 -0.00 0.87 0.78 -0.21 0.00 0.00 178.00 180.03 2aqe h GLY 39 N -0.00 0.40 0.55 -0.55 0.00 -1.89 0.28 103.07 101.86 2aqe h GLY 39 Ca -0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 2aqe h GLY 39 CO 0.00 -0.07 -0.27 0.00 0.00 0.00 0.00 176.54 176.20 2aqe h ALA 40 N 1.43 -0.75 -0.58 3.60 0.00 -1.95 -0.32 119.26 120.70 2aqe h ALA 40 Ca 0.64 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.47 2aqe h ALA 40 Cb 2.29 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 20.30 2aqe h ALA 40 CO -0.11 -0.70 0.20 -0.92 0.00 0.00 0.00 179.25 177.72 2aqe h TYR 41 N -1.18 0.35 -0.65 0.00 3.20 -0.85 0.39 116.97 118.22 2aqe h TYR 41 Ca -0.08 0.03 0.12 0.00 3.14 0.00 0.00 58.73 61.94 2aqe h TYR 41 Cb 0.57 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.73 2aqe h TYR 41 CO 0.00 0.09 0.44 1.25 -1.64 0.00 0.00 178.16 178.30 2aqe h LEU 42 N 0.38 0.36 0.17 2.82 5.85 -0.52 0.22 115.31 124.58 2aqe h LEU 42 Ca 0.29 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 2aqe h LEU 42 Cb 0.35 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2aqe h LEU 42 CO -0.30 0.21 -0.08 -0.08 -0.34 0.00 0.00 178.44 177.85 2aqe h GLU 43 N 0.40 -0.22 -0.65 1.25 4.81 0.14 -2.78 114.58 117.53 2aqe h GLU 43 Ca 0.31 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.69 2aqe h GLU 43 Cb 0.67 0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.98 2aqe h GLU 43 CO -0.09 0.11 -0.04 1.88 -0.73 0.00 0.00 179.01 180.14 2aqe h TYR 44 N -0.98 -0.12 -0.44 0.92 0.05 -0.11 0.39 116.97 116.69 2aqe h TYR 44 Ca -0.02 0.05 0.08 0.00 0.05 0.00 0.00 58.73 58.89 2aqe h TYR 44 Cb 0.42 0.15 -0.08 0.00 1.01 0.00 0.00 36.73 38.24 2aqe h TYR 44 CO 0.06 -0.21 -0.04 0.87 -1.05 0.00 0.00 178.16 177.79 2aqe h LYS 45 N 0.08 0.06 -0.06 4.88 1.79 -0.66 0.88 116.57 123.54 2aqe h LYS 45 Ca 0.34 -0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.72 2aqe h LYS 45 Cb 0.56 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 2aqe h LYS 45 CO -0.59 0.04 -0.35 0.77 -1.08 0.00 0.00 179.45 178.25 2aqe h SER 46 N 0.06 0.12 -0.21 0.86 0.02 -0.44 -2.16 113.55 111.81 2aqe h SER 46 Ca 0.21 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.06 2aqe h SER 46 Cb 0.32 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 2aqe h SER 46 CO -0.40 0.46 -0.10 0.00 -1.14 0.00 0.00 176.83 175.66 2aqe h ALA 47 N 1.55 0.29 -0.11 3.77 0.00 0.19 -2.18 119.26 122.77 2aqe h ALA 47 Ca 0.01 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 2aqe h ALA 47 Cb 0.67 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2aqe h ALA 47 CO 0.05 0.13 -0.51 -0.07 0.00 0.00 0.00 179.25 178.84 2aqe h LEU 48 N 0.13 0.33 -0.52 0.00 3.38 -0.98 0.68 115.31 118.34 2aqe h LEU 48 Ca 0.05 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2aqe h LEU 48 Cb 0.59 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2aqe h LEU 48 CO 0.03 0.79 0.17 0.25 0.09 0.00 0.00 178.44 179.77 2aqe h LEU 49 N 0.24 0.75 0.00 1.67 7.12 -1.32 0.12 115.31 123.89 2aqe h LEU 49 Ca 0.01 -0.20 -0.00 0.00 0.13 0.00 0.00 57.88 57.82 2aqe h LEU 49 Cb 0.99 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.92 2aqe h LEU 49 CO 0.08 0.75 -0.00 -1.13 -0.13 0.00 0.00 178.44 178.01 2aqe h ASN 50 N 0.70 -0.01 -0.40 1.25 -0.73 -1.30 -2.63 115.58 112.47 2aqe h ASN 50 Ca 0.17 -0.83 0.04 0.00 1.87 0.00 0.00 56.30 57.55 2aqe h ASN 50 Cb 0.26 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.81 2aqe h ASN 50 CO -0.01 0.84 0.16 -0.08 -0.37 0.00 0.00 177.43 177.98 2aqe h GLU 51 N -0.87 0.32 -0.55 6.67 4.57 -0.88 -1.99 114.58 121.85 2aqe h GLU 51 Ca -0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2aqe h GLU 51 Cb 0.84 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.33 2aqe h GLU 51 CO 0.00 0.21 0.34 0.00 -1.18 0.00 0.00 179.01 178.39 2aqe h HIS 53 N 0.74 0.32 0.03 0.00 -0.00 -1.01 1.12 115.15 116.34 2aqe h HIS 53 Ca 0.20 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.52 2aqe h HIS 53 Cb -0.05 -0.10 0.01 0.00 -0.00 0.00 0.00 27.41 27.27 2aqe h HIS 53 CO -0.03 0.16 -0.23 -0.22 -0.00 0.00 0.00 177.93 177.60 2aqe h LYS 54 N 0.30 0.11 0.00 5.26 1.63 -0.61 -3.29 116.57 119.96 2aqe h LYS 54 Ca 0.24 -0.16 -0.00 0.00 -0.85 0.00 0.00 60.65 59.88 2aqe h LYS 54 Cb 0.53 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.21 2aqe h LYS 54 CO -0.05 1.00 -0.02 1.96 -3.45 0.00 0.00 179.45 178.89 2aqe h GLN 55 N -0.70 0.00 -4.20 1.90 1.08 -0.72 -3.47 115.11 109.00 2aqe h GLN 55 Ca -0.04 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.86 2aqe h GLN 55 Cb 1.10 0.00 0.08 0.00 -0.05 0.00 0.00 27.48 28.62 2aqe h GLN 55 CO 0.04 0.02 -0.49 0.41 -0.95 0.00 0.00 178.83 177.86 2aqe n GLY 56 N 0.64 -0.19 0.00 3.46 0.00 0.38 -4.91 105.19 104.58 2aqe n GLY 56 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.52 2.58 2.83 -0.02 0.00 -1.20 -4.71 105.19 103.14 2aqe n GLY 57 Ca -0.03 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 2aqe n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqe s LEU 58 N 0.00 3.25 1.09 0.99 1.43 -0.72 -4.60 118.68 120.11 2aqe s LEU 58 Ca 0.00 -2.20 -0.15 0.00 -1.03 0.00 0.00 54.13 50.75 2aqe s LEU 58 Cb 0.00 -1.20 0.23 0.00 0.03 0.00 0.00 46.19 45.25 2aqe s LEU 58 CO 0.00 -0.34 0.51 0.54 0.23 0.00 0.00 176.35 177.29 2aqe n ARG 59 N 4.14 -2.91 -0.06 1.70 1.74 -1.25 -3.85 116.66 116.16 2aqe n ARG 59 Ca 0.03 -0.87 -0.09 0.00 -0.77 0.00 0.00 57.85 56.16 2aqe n ARG 59 Cb 0.39 -1.55 -0.15 0.00 -1.02 0.00 0.00 32.46 30.13 2aqe n ARG 59 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2aqe n LEU 60 N -2.22 0.45 0.25 0.55 7.94 -1.26 -3.60 117.00 119.11 2aqe n LEU 60 Ca 0.08 0.21 -0.12 0.00 -1.11 0.00 0.00 56.01 55.07 2aqe n LEU 60 Cb 0.36 0.33 -0.06 0.00 0.53 0.00 0.00 43.42 44.58 2aqe n LEU 60 CO 0.24 0.44 0.37 0.00 -1.11 0.00 0.00 177.39 177.33 2aqe h ALA 61 N 1.00 -0.69 -0.48 1.96 0.00 -2.01 -2.33 119.26 116.71 2aqe h ALA 61 Ca -0.41 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.46 2aqe h ALA 61 Cb 2.13 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 20.16 2aqe h ALA 61 CO 0.05 -0.68 0.53 1.96 0.00 0.00 0.00 179.25 181.11 2aqe h GLN 62 N -1.10 0.00 0.76 0.00 4.20 -1.96 -1.31 115.11 115.70 2aqe h GLN 62 Ca -0.07 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 2aqe h GLN 62 Cb 0.59 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 2aqe h GLN 62 CO 0.12 0.00 -0.45 0.00 -0.67 0.00 0.00 178.83 177.82 2aqe h ALA 63 N 1.40 -1.17 -0.38 3.87 0.00 -1.48 0.23 119.26 121.73 2aqe h ALA 63 Ca 0.23 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 55.01 2aqe h ALA 63 Cb 1.28 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 2aqe h ALA 63 CO -0.00 -1.17 0.30 0.00 0.00 0.00 0.00 179.25 178.37 2aqe h ARG 64 N -1.14 0.00 0.00 0.00 -0.00 -0.98 0.22 114.38 112.48 2aqe h ARG 64 Ca -0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.38 2aqe h ARG 64 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.88 2aqe h ARG 64 CO 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 179.97 179.92 2aqe h ALA 65 N 1.75 0.90 -3.00 0.04 0.00 -0.99 -3.41 119.26 114.55 2aqe h ALA 65 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2aqe h ALA 65 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2aqe h ALA 65 CO -0.00 0.00 0.00 -0.11 0.00 0.00 0.00 179.25 179.14 2aqe n LEU 66 N -2.42 0.90 0.00 0.00 7.94 0.77 -5.02 117.00 119.18 2aqe n LEU 66 Ca 0.05 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.92 2aqe n LEU 66 Cb 0.46 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.43 2aqe n LEU 66 CO 0.33 0.00 0.08 2.30 -1.11 0.00 0.00 177.39 178.99 2aqe n ILE 67 N -0.47 0.00 -3.31 1.96 -5.35 -1.18 -4.92 119.36 106.09 2aqe n ILE 67 Ca 0.00 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 2aqe n ILE 67 Cb 0.00 -1.65 0.00 0.00 -1.74 0.00 0.00 39.64 36.25 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 -1.26 0.00 0.00 6.28 4.76 -1.26 -4.77 118.16 121.91 2aqe n LYS 68 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 2aqe n LYS 68 Cb 0.06 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.25 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 -0.00 -1.26 -5.04 119.36 112.88 2aqe n ILE 69 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2aqe n ILE 69 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 2aqe n ILE 69 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2aqe n ASP 70 N -0.78 0.00 0.00 7.28 2.03 -1.26 -5.00 116.55 118.82 2aqe n ASP 70 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2aqe n ASP 70 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2aqe n ASP 70 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 2aqe n VAL 71 N 0.00 0.00 0.20 5.18 3.14 -1.26 -4.66 118.33 120.93 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 -0.42 0.35 0.00 -1.06 0.00 0.00 33.84 32.72 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 0.35 6.55 2.35 -1.98 0.65 115.58 123.50 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 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2aqe h ASN 72 CO 0.00 0.33 -0.17 0.11 -1.65 0.00 0.00 177.43 176.06 2aqe h LYS 73 N 0.00 -0.45 -0.32 0.81 6.56 -2.00 -2.26 116.57 118.90 2aqe h LYS 73 Ca -0.00 0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.60 2aqe h LYS 73 Cb 0.88 0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 32.63 2aqe h LYS 73 CO 0.04 -0.13 0.12 1.15 -2.06 0.00 0.00 179.45 178.57 2aqe h THR 74 N -0.91 1.19 -1.21 -0.16 2.02 -1.82 -2.30 112.91 109.73 2aqe h THR 74 Ca -0.05 -0.59 0.35 0.00 0.77 0.00 0.00 66.41 66.89 2aqe h THR 74 Cb 0.53 0.97 -0.09 0.00 -1.74 0.00 0.00 68.15 67.83 2aqe h THR 74 CO 0.08 0.21 0.82 -0.09 0.37 0.00 0.00 175.52 176.90 2aqe h ARG 75 N 0.37 0.17 0.08 6.66 1.12 -0.88 0.22 114.38 122.13 2aqe h ARG 75 Ca 0.11 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.96 2aqe h ARG 75 Cb 0.20 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.13 2aqe h ARG 75 CO -0.01 0.11 -0.04 0.87 -3.11 0.00 0.00 179.97 177.80 2aqe h LYS 76 N 0.17 -0.10 0.21 0.20 1.57 -0.83 -2.29 116.57 115.51 2aqe h LYS 76 Ca 0.66 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.45 2aqe h LYS 76 Cb 2.13 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 34.42 2aqe h LYS 76 CO -0.21 -0.07 -0.47 0.82 -0.57 0.00 0.00 179.45 178.95 2aqe h ILE 77 N -0.59 0.08 -0.24 1.86 2.04 -1.16 -2.67 117.51 116.82 2aqe h ILE 77 Ca -0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.89 2aqe h ILE 77 Cb 0.08 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.20 2aqe h ILE 77 CO 0.02 0.00 -0.03 0.22 0.00 0.00 0.00 178.15 178.36 2aqe h TYR 78 N -0.77 -0.06 -1.00 1.37 5.03 -0.76 -1.87 116.97 118.91 2aqe h TYR 78 Ca -0.01 0.02 0.23 0.00 2.58 0.00 0.00 58.73 61.56 2aqe h TYR 78 Cb 0.75 0.06 -0.09 0.00 1.55 0.00 0.00 36.73 39.01 2aqe h TYR 78 CO -0.36 -0.07 0.64 0.22 -1.32 0.00 0.00 178.16 177.27 2aqe h ASP 79 N 0.04 0.51 0.06 -2.11 3.58 -1.16 0.31 116.42 117.64 2aqe h ASP 79 Ca 0.11 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 2aqe h ASP 79 Cb 0.16 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2aqe h ASP 79 CO -0.21 0.15 -0.03 0.15 -2.88 0.00 0.00 179.24 176.41 2aqe h PHE 80 N 0.48 -0.08 -0.54 0.28 3.57 -1.02 -1.49 116.94 118.14 2aqe h PHE 80 Ca 0.56 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 62.04 2aqe h PHE 80 Cb 1.29 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 40.03 2aqe h PHE 80 CO -0.00 0.29 0.27 -0.07 -2.23 0.00 0.00 178.31 176.57 2aqe h LEU 81 N -0.46 0.69 0.18 0.59 3.38 -0.84 -0.31 115.31 118.55 2aqe h LEU 81 Ca -0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2aqe h LEU 81 Cb 0.40 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2aqe h LEU 81 CO 0.01 0.61 -0.12 0.40 0.09 0.00 0.00 178.44 179.44 2aqe h ILE 82 N 0.73 0.00 -0.10 1.22 1.08 -0.44 -2.19 117.51 117.80 2aqe h ILE 82 Ca 0.19 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.69 2aqe h ILE 82 Cb 0.09 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 33.84 2aqe h ILE 82 CO -0.03 0.00 0.28 0.03 -0.69 0.00 0.00 178.15 177.74 2aqe h ARG 83 N -0.28 0.00 0.00 2.37 -0.00 -1.28 -3.42 114.38 111.76 2aqe h ARG 83 Ca -0.02 0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.40 2aqe h ARG 83 Cb 0.23 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.21 2aqe h ARG 83 CO 0.02 0.00 0.02 0.39 0.00 0.00 0.00 179.97 180.40 2aqe n GLU 84 N -3.21 0.40 -0.57 0.04 -0.58 -0.13 -4.96 120.64 111.62 2aqe n GLU 84 Ca 0.00 -0.34 0.05 0.00 -0.42 0.00 0.00 57.16 56.45 2aqe n GLU 84 Cb 0.36 -0.10 0.26 0.00 -0.57 0.00 0.00 31.44 31.39 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 3.97 2.43 0.14 0.62 0.00 -1.26 -4.29 105.19 106.80 2aqe n GLY 85 Ca 0.02 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 2aqe n GLY 85 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2aqe h TYR 86 N 2.60 0.77 -1.08 1.61 0.05 -1.84 -3.49 116.97 115.59 2aqe h TYR 86 Ca 0.00 -0.56 0.00 0.00 0.05 0.00 0.00 58.73 58.22 2aqe h TYR 86 Cb 1.44 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 39.15 2aqe h TYR 86 CO 0.70 1.60 0.00 0.44 -1.05 0.00 0.00 178.16 179.85 2aqe n ILE 87 N -3.73 0.00 -3.07 -2.88 -5.35 -0.98 -4.77 119.36 98.58 2aqe n ILE 87 Ca -0.21 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 2aqe n ILE 87 Cb 1.04 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.94 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 0.00 0.00 -2.21 7.28 -2.24 -1.26 -4.59 114.28 111.26 2aqe n THR 88 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 2aqe n THR 88 Cb 0.00 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.27 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 0.25 -0.29 -0.78 2.85 -1.25 -1.76 118.16 117.17 2aqe n LYS 89 Ca 0.00 -1.95 0.00 0.00 -1.05 0.00 0.00 58.31 55.31 2aqe n LYS 89 Cb 0.00 -0.38 0.00 0.00 -0.65 0.00 0.00 35.03 34.00 2aqe n LYS 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35