#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqe s SER 2 N 0.00 -0.87 0.17 1.61 0.01 -1.26 -5.06 113.70 108.31 2aqe s SER 2 Ca 0.00 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.74 2aqe s SER 2 Cb 0.00 1.11 0.00 0.00 0.21 0.00 0.00 66.02 67.34 2aqe s SER 2 CO 0.00 -0.09 0.00 0.59 0.41 0.00 0.00 173.24 174.15 2aqe n ASN 3 N 3.85 0.61 -4.93 2.44 3.02 -1.26 -4.89 115.26 114.10 2aqe n ASN 3 Ca 0.09 0.28 -0.23 0.00 -0.03 0.00 0.00 54.58 54.69 2aqe n ASN 3 Cb 0.60 -0.05 0.05 0.00 -0.61 0.00 0.00 39.78 39.78 2aqe n ASN 3 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2aqe s SER 4 N -5.61 5.04 0.00 6.41 1.04 -1.26 -4.90 113.70 114.43 2aqe s SER 4 Ca 0.00 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.55 2aqe s SER 4 Cb 0.00 -0.89 0.00 0.00 0.10 0.00 0.00 66.02 65.23 2aqe s SER 4 CO 0.00 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 173.48 2aqe n GLY 5 N -2.58 6.13 0.00 7.32 0.00 -1.26 -4.88 105.19 109.92 2aqe n GLY 5 Ca 0.08 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 0.00 1.54 -0.02 1.61 0.63 -1.26 -5.10 116.66 114.06 2aqe n ARG 6 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2aqe n ARG 6 Cb 0.00 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 32.91 2aqe n ARG 6 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2aqe n ARG 7 N 0.00 -0.04 -3.25 -0.14 1.74 -1.26 -4.81 116.66 108.90 2aqe n ARG 7 Ca 0.00 0.03 -0.04 0.00 -0.77 0.00 0.00 57.85 57.06 2aqe n ARG 7 Cb 0.00 -0.05 -0.03 0.00 -1.02 0.00 0.00 32.46 31.36 2aqe n ARG 7 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2aqe s SER 8 N -4.03 -0.55 0.46 0.55 1.04 -1.26 -5.16 113.70 104.76 2aqe s SER 8 Ca 0.00 -0.67 0.05 0.00 0.48 0.00 0.00 55.95 55.81 2aqe s SER 8 Cb 0.00 1.49 -0.03 0.00 0.10 0.00 0.00 66.02 67.58 2aqe s SER 8 CO 0.00 -0.26 0.14 0.00 0.98 0.00 0.00 173.24 174.10 2aqe s ALA 9 N 2.11 3.80 -0.29 5.32 0.00 -1.26 -5.04 121.76 126.39 2aqe s ALA 9 Ca 0.14 -1.53 -0.28 0.00 0.00 0.00 0.00 51.96 50.28 2aqe s ALA 9 Cb -0.09 -0.22 -0.06 0.00 0.00 0.00 0.00 23.12 22.74 2aqe s ALA 9 CO -0.15 -0.17 2.27 -0.35 0.00 0.00 0.00 175.76 177.36 2aqe n PRO 10 N -1.28 1.69 -2.21 0.00 -0.04 -1.26 -4.87 135.00 127.03 2aqe n PRO 10 Ca -0.07 0.40 -0.34 0.00 -0.04 0.00 0.00 63.50 63.45 2aqe n PRO 10 Cb 0.66 -3.22 -0.04 0.00 -0.04 0.00 0.00 33.50 30.85 2aqe n PRO 10 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2aqe s PRO 11 N 6.79 2.87 0.00 0.54 0.02 -1.26 -4.85 135.00 139.11 2aqe s PRO 11 Ca 1.01 -0.30 0.00 0.00 0.02 0.00 0.00 61.00 61.74 2aqe s PRO 11 Cb -0.34 -4.91 0.00 0.00 0.02 0.00 0.00 34.50 29.27 2aqe s PRO 11 CO 0.34 -2.86 0.00 1.28 -0.33 0.00 0.00 177.00 175.43 2aqe n LEU 12 N 12.11 1.24 -0.00 -5.54 4.32 -1.26 -4.84 117.00 123.02 2aqe n LEU 12 Ca 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.30 2aqe n LEU 12 Cb 0.49 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.28 2aqe n LEU 12 CO 0.65 0.00 -0.51 0.59 -1.22 0.00 0.00 177.39 176.89 2aqe n ASN 13 N -0.44 4.77 -0.16 -1.43 4.13 -1.26 -4.69 115.26 116.18 2aqe n ASN 13 Ca 0.00 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.18 2aqe n ASN 13 Cb 0.00 1.02 0.01 0.00 -1.54 0.00 0.00 39.78 39.27 2aqe n ASN 13 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2aqe h LEU 14 N 0.00 0.58 -9.45 3.41 4.07 -1.90 -3.40 115.31 108.62 2aqe h LEU 14 Ca -0.00 -0.10 -0.58 0.00 0.08 0.00 0.00 57.88 57.29 2aqe h LEU 14 Cb 0.10 -0.15 0.04 0.00 1.08 0.00 0.00 40.66 41.73 2aqe h LEU 14 CO 0.00 0.51 0.96 1.07 -1.08 0.00 0.00 178.44 179.90 2aqe n THR 15 N -4.68 0.24 0.00 0.22 5.66 -1.26 -1.11 114.28 113.35 2aqe n THR 15 Ca 0.01 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 2aqe n THR 15 Cb 0.09 -1.78 0.00 0.00 -1.55 0.00 0.00 70.33 67.09 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 3.89 2.65 3.94 1.09 0.00 -1.26 -4.98 105.19 110.51 2aqe n GLY 16 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 3.24 0.40 0.99 1.43 -0.27 -5.12 118.68 119.34 2aqe s LEU 17 Ca 0.00 -0.81 0.03 0.00 -1.03 0.00 0.00 54.13 52.32 2aqe s LEU 17 Cb 0.00 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 2aqe s LEU 17 CO 0.00 -0.91 0.58 -2.16 0.23 0.00 0.00 176.35 174.08 2aqe s PRO 18 N -4.32 3.09 0.00 1.29 0.04 -1.26 -4.41 135.00 129.43 2aqe s PRO 18 Ca 0.50 -0.72 0.00 0.00 0.04 0.00 0.00 61.00 60.81 2aqe s PRO 18 Cb -0.05 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2aqe s PRO 18 CO 0.30 -0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.64 2aqe n GLY 19 N -1.87 2.10 0.57 0.56 0.00 -1.26 -3.78 105.19 101.51 2aqe n GLY 19 Ca 0.00 -0.42 0.37 0.00 0.00 0.00 0.00 46.02 45.98 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 0.17 0.02 2.61 2.02 -1.88 0.28 112.91 116.13 2aqe h THR 20 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2aqe h THR 20 Cb 0.00 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 2aqe h THR 20 CO 0.00 0.00 -0.01 -0.08 0.37 0.00 0.00 175.52 175.80 2aqe h GLU 21 N 0.00 -0.03 -0.00 6.66 4.22 -1.88 -3.18 114.58 120.37 2aqe h GLU 21 Ca 0.62 0.00 0.00 0.00 0.08 0.00 0.00 59.36 60.06 2aqe h GLU 21 Cb 2.76 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 32.02 2aqe h GLU 21 CO -0.01 0.69 0.09 0.87 -2.18 0.00 0.00 179.01 178.47 2aqe h LYS 22 N -0.79 0.00 -6.25 1.92 1.79 -0.87 -3.40 116.57 108.96 2aqe h LYS 22 Ca -0.00 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.91 2aqe h LYS 22 Cb 0.72 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 2aqe h LYS 22 CO 0.00 0.00 1.17 -0.51 -1.08 0.00 0.00 179.45 179.03 2aqe s LEU 23 N -6.08 4.06 1.05 2.94 1.43 -0.89 -4.95 118.68 116.24 2aqe s LEU 23 Ca -0.05 1.99 -0.19 0.00 -1.03 0.00 0.00 54.13 54.85 2aqe s LEU 23 Cb 0.12 -3.53 0.04 0.00 0.03 0.00 0.00 46.19 42.85 2aqe s LEU 23 CO 0.38 -1.20 -0.32 -3.20 0.23 0.00 0.00 176.35 172.24 2aqe n ASN 24 N 8.25 -2.65 0.28 2.29 5.15 -1.26 -3.96 115.26 123.34 2aqe n ASN 24 Ca 0.20 -0.16 0.18 0.00 -0.60 0.00 0.00 54.58 54.20 2aqe n ASN 24 Cb 0.44 -0.78 0.95 0.00 -0.53 0.00 0.00 39.78 39.85 2aqe n ASN 24 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 2aqe h GLU 25 N -1.95 0.00 0.00 1.20 4.11 -1.93 0.51 114.58 116.52 2aqe h GLU 25 Ca -0.42 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 58.85 2aqe h GLU 25 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2aqe h GLU 25 CO 0.28 0.00 -0.89 0.87 0.07 0.00 0.00 179.01 179.33 2aqe h LYS 26 N 0.00 0.00 -0.58 1.06 1.57 -2.01 -3.34 116.57 113.27 2aqe h LYS 26 Ca 0.04 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2aqe h LYS 26 Cb 0.34 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 2aqe h LYS 26 CO -0.00 0.96 0.39 0.93 -0.57 0.00 0.00 179.45 181.16 2aqe h GLU 27 N -1.00 0.68 -0.08 3.15 5.08 -1.72 -0.78 114.58 119.91 2aqe h GLU 27 Ca -0.24 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.12 2aqe h GLU 27 Cb 1.19 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 30.22 2aqe h GLU 27 CO -0.15 0.45 -0.33 0.87 -1.00 0.00 0.00 179.01 178.86 2aqe h LYS 28 N 0.70 -0.41 -0.16 2.33 1.57 -1.03 -2.09 116.57 117.47 2aqe h LYS 28 Ca 0.23 0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.87 2aqe h LYS 28 Cb 0.05 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2aqe h LYS 28 CO -0.06 -0.28 -0.58 1.49 -0.57 0.00 0.00 179.45 179.46 2aqe h GLU 29 N -0.43 0.52 -0.95 3.15 4.81 -1.58 -2.67 114.58 117.42 2aqe h GLU 29 Ca 0.08 -0.34 0.22 0.00 -0.13 0.00 0.00 59.36 59.19 2aqe h GLU 29 Cb 0.56 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.90 2aqe h GLU 29 CO -0.32 0.95 0.62 1.25 -0.73 0.00 0.00 179.01 180.78 2aqe h LEU 30 N 0.39 0.44 0.20 1.64 5.85 -0.53 -0.52 115.31 122.78 2aqe h LEU 30 Ca 0.00 0.06 -0.35 0.00 0.84 0.00 0.00 57.88 58.43 2aqe h LEU 30 Cb 1.12 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 42.14 2aqe h LEU 30 CO 0.11 0.15 -1.68 0.00 -0.34 0.00 0.00 178.44 176.68 2aqe h GLN 32 N 0.11 0.00 0.00 0.00 4.20 -0.80 -2.65 115.11 115.97 2aqe h GLN 32 Ca -0.32 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.35 2aqe h GLN 32 Cb 2.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.88 2aqe h GLN 32 CO 0.20 0.00 -0.63 0.28 -0.67 0.00 0.00 178.83 178.01 2aqe h VAL 33 N 0.00 0.18 -2.25 -0.54 2.07 -1.25 -3.41 116.25 111.04 2aqe h VAL 33 Ca 0.03 -1.23 -0.73 0.00 0.82 0.00 0.00 66.70 65.59 2aqe h VAL 33 Cb 0.39 0.43 -0.18 0.00 -1.52 0.00 0.00 31.29 30.41 2aqe h VAL 33 CO -0.00 0.06 1.25 0.54 0.02 0.00 0.00 177.57 179.44 2aqe s VAL 34 N -2.24 5.02 -0.53 2.57 0.11 -1.02 -4.93 120.40 119.39 2aqe s VAL 34 Ca -0.17 -2.52 -0.07 0.00 -2.93 0.00 0.00 61.98 56.30 2aqe s VAL 34 Cb 0.03 -4.88 -0.17 0.00 -1.53 0.00 0.00 36.38 29.83 2aqe s VAL 34 CO 0.28 -1.59 1.17 -1.14 -3.33 0.00 0.00 175.10 170.50 2aqe n ARG 35 N 5.67 0.00 -4.11 1.54 0.63 -1.11 -4.69 116.66 114.59 2aqe n ARG 35 Ca 0.34 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 57.17 2aqe n ARG 35 Cb 0.44 -0.57 -0.10 0.00 0.45 0.00 0.00 32.46 32.67 2aqe n ARG 35 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 2aqe s LEU 36 N 0.74 2.41 0.59 6.15 0.20 -1.25 -5.02 118.68 122.50 2aqe s LEU 36 Ca 0.70 -0.83 -0.16 0.00 0.69 0.00 0.00 54.13 54.52 2aqe s LEU 36 Cb -0.48 -0.04 -0.04 0.00 -0.43 0.00 0.00 46.19 45.20 2aqe s LEU 36 CO 0.29 -0.40 1.07 -0.69 -0.29 0.00 0.00 176.35 176.33 2aqe s VAL 37 N -2.85 3.67 -0.01 1.68 1.01 -1.26 -4.50 120.40 118.14 2aqe s VAL 37 Ca 0.02 0.83 -0.05 0.00 0.00 0.00 0.00 61.98 62.79 2aqe s VAL 37 Cb 0.00 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 2aqe s VAL 37 CO -0.04 -0.43 0.50 -0.65 0.00 0.00 0.00 175.10 174.48 2aqe h PRO 38 N 0.55 -0.17 -0.85 2.72 0.11 -1.92 -2.55 132.00 129.89 2aqe h PRO 38 Ca -0.47 0.01 0.22 0.00 0.11 0.00 0.00 66.00 65.86 2aqe h PRO 38 Cb 1.23 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.33 2aqe h PRO 38 CO 0.57 -0.11 0.58 0.78 -0.21 0.00 0.00 178.00 179.61 2aqe h GLY 39 N -0.34 0.45 0.56 -0.55 0.00 -1.91 0.13 103.07 101.40 2aqe h GLY 39 Ca -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 2aqe h GLY 39 CO 0.03 -0.00 -0.27 0.00 0.00 0.00 0.00 176.54 176.30 2aqe h ALA 40 N 1.61 -1.18 -0.52 3.60 0.00 -1.94 0.94 119.26 121.78 2aqe h ALA 40 Ca 0.42 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.25 2aqe h ALA 40 Cb 1.33 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 19.35 2aqe h ALA 40 CO -0.09 -1.12 0.14 -0.92 0.00 0.00 0.00 179.25 177.25 2aqe h TYR 41 N -0.76 0.23 -0.64 0.00 5.03 -0.93 0.29 116.97 120.18 2aqe h TYR 41 Ca -0.08 0.03 0.18 0.00 2.58 0.00 0.00 58.73 61.45 2aqe h TYR 41 Cb 0.57 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.81 2aqe h TYR 41 CO 0.10 0.03 0.46 1.25 -1.32 0.00 0.00 178.16 178.68 2aqe h LEU 42 N 0.29 0.00 0.19 2.82 5.85 -0.65 0.16 115.31 123.96 2aqe h LEU 42 Ca 0.26 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 2aqe h LEU 42 Cb 0.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2aqe h LEU 42 CO -0.31 0.00 -0.09 -0.08 -0.34 0.00 0.00 178.44 177.62 2aqe h GLU 43 N 0.00 -0.24 -0.99 1.25 4.57 0.22 -1.84 114.58 117.54 2aqe h GLU 43 Ca 0.30 0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.62 2aqe h GLU 43 Cb 1.22 0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 29.78 2aqe h GLU 43 CO -0.00 -0.16 0.63 1.88 -1.18 0.00 0.00 179.01 180.17 2aqe h TYR 44 N -0.69 1.11 -0.65 0.92 0.05 -1.11 0.81 116.97 117.41 2aqe h TYR 44 Ca -0.03 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 2aqe h TYR 44 Cb 0.19 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 37.55 2aqe h TYR 44 CO 0.03 0.43 0.40 -0.22 -1.05 0.00 0.00 178.16 177.75 2aqe h LYS 45 N 0.96 0.87 0.00 4.88 3.11 -0.77 0.28 116.57 125.90 2aqe h LYS 45 Ca 0.49 -0.07 -0.00 0.00 -2.81 0.00 0.00 60.65 58.26 2aqe h LYS 45 Cb 0.52 -0.19 -0.00 0.00 -1.00 0.00 0.00 32.23 31.56 2aqe h LYS 45 CO -0.26 0.61 -0.01 0.77 -2.81 0.00 0.00 179.45 177.75 2aqe h SER 46 N 0.88 0.00 1.03 4.20 0.02 0.01 0.71 113.55 120.40 2aqe h SER 46 Ca 0.23 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.13 2aqe h SER 46 Cb -0.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2aqe h SER 46 CO -0.05 0.01 -1.01 0.00 -1.14 0.00 0.00 176.83 174.65 2aqe h ALA 47 N 1.99 0.60 -0.49 3.77 0.00 0.31 -2.81 119.26 122.61 2aqe h ALA 47 Ca -0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 2aqe h ALA 47 Cb 0.05 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2aqe h ALA 47 CO 0.00 0.31 -0.09 -0.07 0.00 0.00 0.00 179.25 179.40 2aqe h LEU 48 N 0.00 0.89 0.14 0.00 -0.00 0.18 0.22 115.31 116.73 2aqe h LEU 48 Ca -0.05 -0.27 -0.23 0.00 -0.00 0.00 0.00 57.88 57.33 2aqe h LEU 48 Cb 1.19 -0.24 0.01 0.00 -0.00 0.00 0.00 40.66 41.63 2aqe h LEU 48 CO 0.02 1.00 -1.08 0.25 -0.00 0.00 0.00 178.44 178.63 2aqe h LEU 49 N 0.81 0.45 -0.59 1.67 7.12 -1.59 -2.42 115.31 120.76 2aqe h LEU 49 Ca 0.14 -0.91 -0.09 0.00 0.13 0.00 0.00 57.88 57.15 2aqe h LEU 49 Cb 0.61 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.57 2aqe h LEU 49 CO 0.04 1.49 0.04 -1.13 -0.13 0.00 0.00 178.44 178.75 2aqe h ASN 50 N -0.33 0.99 0.23 1.25 -1.24 -1.49 -0.96 115.58 114.02 2aqe h ASN 50 Ca -0.21 -0.29 -0.01 0.00 0.71 0.00 0.00 56.30 56.50 2aqe h ASN 50 Cb 1.71 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 40.50 2aqe h ASN 50 CO 0.12 1.04 -0.11 -0.08 -1.29 0.00 0.00 177.43 177.11 2aqe h GLU 51 N 0.92 -0.29 -0.51 6.67 4.57 -0.69 -2.20 114.58 123.05 2aqe h GLU 51 Ca 0.17 0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.44 2aqe h GLU 51 Cb 0.51 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 29.10 2aqe h GLU 51 CO 0.02 0.01 0.17 0.00 -1.18 0.00 0.00 179.01 178.04 2aqe h HIS 53 N 0.34 1.22 -0.32 0.00 -0.00 -1.27 0.48 115.15 115.60 2aqe h HIS 53 Ca 0.25 -0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.65 2aqe h HIS 53 Cb 0.28 -0.39 -0.05 0.00 -0.00 0.00 0.00 27.41 27.25 2aqe h HIS 53 CO -0.17 0.84 -0.01 -0.22 -0.00 0.00 0.00 177.93 178.37 2aqe h LYS 54 N 1.24 0.08 0.00 5.26 1.63 -0.62 -3.34 116.57 120.82 2aqe h LYS 54 Ca 0.31 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.11 2aqe h LYS 54 Cb 0.02 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2aqe h LYS 54 CO -0.05 0.05 -0.09 1.96 -3.45 0.00 0.00 179.45 177.87 2aqe h GLN 55 N 0.08 0.00 0.00 1.90 4.20 -1.18 -3.50 115.11 116.62 2aqe h GLN 55 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2aqe h GLN 55 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2aqe h GLN 55 CO -0.26 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.31 2aqe n GLY 56 N 1.76 0.66 3.41 3.46 0.00 0.16 -5.10 105.19 109.54 2aqe n GLY 56 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 2aqe n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2aqe s GLY 57 N 0.00 -0.38 -0.30 -0.02 0.00 -1.24 -4.77 107.32 100.61 2aqe s GLY 57 Ca 0.00 1.27 0.01 0.00 0.00 0.00 0.00 44.72 46.00 2aqe s GLY 57 CO 0.00 1.04 0.06 1.08 0.00 0.00 0.00 173.10 175.29 2aqe s LEU 58 N -0.20 2.96 1.00 0.66 1.43 0.41 -4.75 118.68 120.20 2aqe s LEU 58 Ca -0.04 -1.70 -0.13 0.00 -1.03 0.00 0.00 54.13 51.23 2aqe s LEU 58 Cb -0.03 -1.11 0.11 0.00 0.03 0.00 0.00 46.19 45.18 2aqe s LEU 58 CO 0.03 -0.38 0.58 -1.14 0.23 0.00 0.00 176.35 175.67 2aqe n ARG 59 N 4.66 -0.86 0.11 1.70 0.63 -1.24 -3.56 116.66 118.09 2aqe n ARG 59 Ca -0.02 -0.21 0.12 0.00 -0.92 0.00 0.00 57.85 56.83 2aqe n ARG 59 Cb 0.42 -1.99 0.24 0.00 0.45 0.00 0.00 32.46 31.59 2aqe n ARG 59 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2aqe h LEU 60 N -1.89 0.00 0.07 6.15 5.85 -1.89 -2.81 115.31 120.80 2aqe h LEU 60 Ca -0.48 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.16 2aqe h LEU 60 Cb 1.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2aqe h LEU 60 CO 0.38 0.04 -0.04 0.00 -0.34 0.00 0.00 178.44 178.49 2aqe h ALA 61 N 2.39 -0.16 -0.71 1.25 0.00 -1.96 -2.51 119.26 117.56 2aqe h ALA 61 Ca 0.00 -0.02 0.21 0.00 0.00 0.00 0.00 54.91 55.09 2aqe h ALA 61 Cb 0.81 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2aqe h ALA 61 CO 0.00 -0.16 0.56 1.96 0.00 0.00 0.00 179.25 181.62 2aqe h GLN 62 N -0.55 0.00 -0.12 0.00 1.08 -1.96 0.29 115.11 113.85 2aqe h GLN 62 Ca -0.01 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2aqe h GLN 62 Cb 0.08 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2aqe h GLN 62 CO 0.02 0.00 0.07 0.00 -0.95 0.00 0.00 178.83 177.97 2aqe h ALA 63 N 1.54 0.16 -0.85 3.87 0.00 -1.52 1.29 119.26 123.75 2aqe h ALA 63 Ca 0.34 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.36 2aqe h ALA 63 Cb 1.46 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 2aqe h ALA 63 CO -0.00 -0.32 0.55 0.00 0.00 0.00 0.00 179.25 179.47 2aqe h ARG 64 N 0.12 0.56 0.00 0.00 -0.00 0.05 0.21 114.38 115.33 2aqe h ARG 64 Ca 0.04 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 2aqe h ARG 64 Cb 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 29.97 29.88 2aqe h ARG 64 CO -0.01 0.37 -0.78 0.00 0.00 0.00 0.00 179.97 179.55 2aqe n ALA 65 N -2.47 3.07 -1.00 0.04 0.00 -0.72 -4.54 120.51 114.88 2aqe n ALA 65 Ca 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2aqe n ALA 65 Cb 0.50 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -2.08 1.21 0.00 0.00 7.94 0.43 -4.94 117.00 119.56 2aqe n LEU 66 Ca 0.03 0.11 -0.03 0.00 -1.11 0.00 0.00 56.01 55.01 2aqe n LEU 66 Cb 0.44 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.41 2aqe n LEU 66 CO 0.38 0.00 0.07 2.30 -1.11 0.00 0.00 177.39 179.03 2aqe n ILE 67 N -0.31 0.00 -2.88 1.96 -5.35 -1.14 -4.92 119.36 106.71 2aqe n ILE 67 Ca 0.00 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 2aqe n ILE 67 Cb 0.00 -1.68 0.00 0.00 -1.74 0.00 0.00 39.64 36.22 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 -1.24 0.00 0.00 6.28 4.76 -1.26 -4.77 118.16 121.93 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 -5.03 119.36 112.89 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 -4.96 116.55 118.86 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 0.15 5.18 3.14 -1.26 -4.69 118.33 120.85 2aqe n VAL 71 Ca 0.00 0.00 0.10 0.00 -2.96 0.00 0.00 64.34 61.48 2aqe n VAL 71 Cb 0.00 0.00 0.60 0.00 -1.06 0.00 0.00 33.84 33.38 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 0.10 0.19 6.55 4.21 -1.97 1.21 115.58 125.86 2aqe h ASN 72 Ca 0.00 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 2aqe h ASN 72 Cb 0.00 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.18 2aqe h ASN 72 CO 0.00 0.07 -0.09 0.11 -1.29 0.00 0.00 177.43 176.23 2aqe h LYS 73 N 0.12 -0.24 -0.33 0.81 6.56 -1.98 -2.72 116.57 118.79 2aqe h LYS 73 Ca 0.08 0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.67 2aqe h LYS 73 Cb 0.19 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.90 2aqe h LYS 73 CO -0.01 0.11 0.11 1.15 -2.06 0.00 0.00 179.45 178.75 2aqe h THR 74 N -0.63 1.20 -0.89 -0.16 2.02 -1.70 -2.80 112.91 109.94 2aqe h THR 74 Ca -0.03 -0.63 0.24 0.00 0.77 0.00 0.00 66.41 66.77 2aqe h THR 74 Cb 0.46 1.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.73 2aqe h THR 74 CO 0.04 0.22 0.25 -0.09 0.37 0.00 0.00 175.52 176.31 2aqe h ARG 75 N 0.38 0.20 0.02 6.66 2.43 0.15 0.33 114.38 124.55 2aqe h ARG 75 Ca 0.11 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2aqe h ARG 75 Cb 0.23 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2aqe h ARG 75 CO -0.01 0.13 -0.01 0.87 -1.51 0.00 0.00 179.97 179.45 2aqe h LYS 76 N 0.20 -0.02 0.39 0.20 1.57 -1.34 -2.25 116.57 115.33 2aqe h LYS 76 Ca 0.57 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.33 2aqe h LYS 76 Cb 1.17 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2aqe h LYS 76 CO -0.66 0.73 -0.21 0.82 -0.57 0.00 0.00 179.45 179.55 2aqe h ILE 77 N -0.87 0.00 -1.02 1.86 2.04 -1.12 -2.47 117.51 115.93 2aqe h ILE 77 Ca -0.00 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.12 2aqe h ILE 77 Cb 0.76 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.73 2aqe h ILE 77 CO 0.00 0.00 0.62 0.22 0.00 0.00 0.00 178.15 179.00 2aqe h TYR 78 N -0.56 0.90 -0.67 1.37 5.03 -0.53 0.58 116.97 123.09 2aqe h TYR 78 Ca -0.05 0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.32 2aqe h TYR 78 Cb 0.43 -0.26 -0.04 0.00 1.55 0.00 0.00 36.73 38.42 2aqe h TYR 78 CO 0.08 0.04 0.44 -0.44 -1.32 0.00 0.00 178.16 176.97 2aqe h ASP 79 N 0.50 0.69 -0.42 -2.11 5.19 -1.15 0.60 116.42 119.72 2aqe h ASP 79 Ca 0.64 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 57.00 2aqe h ASP 79 Cb 1.36 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.70 2aqe h ASP 79 CO -0.43 0.48 0.10 0.15 -3.12 0.00 0.00 179.24 176.42 2aqe h PHE 80 N 0.80 0.70 0.00 4.55 3.57 0.63 0.21 116.94 127.41 2aqe h PHE 80 Ca 0.27 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.69 2aqe h PHE 80 Cb 0.07 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.61 2aqe h PHE 80 CO -0.00 0.66 -0.24 1.28 -2.23 0.00 0.00 178.31 177.78 2aqe n LEU 81 N -4.54 0.35 0.01 0.59 7.99 -0.80 -1.56 117.00 119.04 2aqe n LEU 81 Ca -0.00 0.31 -0.18 0.00 -0.01 0.00 0.00 56.01 56.13 2aqe n LEU 81 Cb 0.21 -0.36 -0.14 0.00 -0.11 0.00 0.00 43.42 43.02 2aqe n LEU 81 CO 0.39 0.01 -0.66 0.40 -1.51 0.00 0.00 177.39 176.02 2aqe h ILE 82 N 0.00 0.77 0.00 -0.08 1.08 0.57 0.53 117.51 120.38 2aqe h ILE 82 Ca 0.00 -2.50 -0.18 0.00 -0.39 0.00 0.00 64.86 61.79 2aqe h ILE 82 Cb 0.56 2.54 -0.03 0.00 -3.07 0.00 0.00 36.82 36.82 2aqe h ILE 82 CO 0.00 0.79 -1.47 0.54 -0.69 0.00 0.00 178.15 177.32 2aqe n ARG 83 N -3.39 0.62 -0.82 2.37 3.00 0.71 -4.83 116.66 114.32 2aqe n ARG 83 Ca -0.26 0.22 -0.03 0.00 -0.01 0.00 0.00 57.85 57.78 2aqe n ARG 83 Cb 1.05 -1.80 0.01 0.00 0.00 0.00 0.00 32.46 31.73 2aqe n ARG 83 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2aqe n GLU 84 N -2.89 0.53 -3.05 5.56 -0.58 -0.60 -5.00 120.64 114.61 2aqe n GLU 84 Ca -0.11 -0.30 -0.45 0.00 -0.42 0.00 0.00 57.16 55.89 2aqe n GLU 84 Cb 0.86 -0.07 -0.02 0.00 -0.57 0.00 0.00 31.44 31.64 2aqe n GLU 84 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2aqe s GLY 85 N -2.69 2.20 0.00 0.62 0.00 -1.26 -4.50 107.32 101.68 2aqe s GLY 85 Ca 0.07 -2.99 0.00 0.00 0.00 0.00 0.00 44.72 41.80 2aqe s GLY 85 CO 0.05 1.80 0.00 -1.72 0.00 0.00 0.00 173.10 173.22 2aqe n TYR 86 N 5.69 -1.20 -3.97 1.90 4.01 -1.23 -5.08 117.16 117.28 2aqe n TYR 86 Ca 0.22 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.97 2aqe n TYR 86 Cb 0.48 0.51 0.00 0.00 -0.31 0.00 0.00 39.34 40.02 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 -2.51 0.00 -3.81 -0.72 -5.35 0.18 -4.85 119.36 102.30 2aqe n ILE 87 Ca 0.00 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.36 2aqe n ILE 87 Cb 0.00 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 2aqe n ILE 87 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2aqe s THR 88 N -1.95 0.04 -0.42 7.28 -4.23 -1.26 -4.60 115.64 110.50 2aqe s THR 88 Ca 0.00 -0.36 -0.02 0.00 -1.18 0.00 0.00 61.69 60.14 2aqe s THR 88 Cb 0.00 -0.43 0.23 0.00 1.34 0.00 0.00 72.50 73.63 2aqe s THR 88 CO 0.00 -0.20 2.19 2.29 -0.54 0.00 0.00 174.62 178.36 2aqe n LYS 89 N 2.03 2.11 0.00 3.99 2.85 -1.23 0.16 118.16 128.07 2aqe n LYS 89 Ca -0.18 -2.09 0.00 0.00 -1.05 0.00 0.00 58.31 54.99 2aqe n LYS 89 Cb 0.57 -1.86 0.00 0.00 -0.65 0.00 0.00 35.03 33.08 2aqe n LYS 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35