#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 4.60 -2.70 1.61 7.64 -1.26 -4.44 113.62 119.07 2aqe n SER 2 Ca 0.00 -3.26 -0.06 0.00 1.01 0.00 0.00 58.87 56.56 2aqe n SER 2 Cb 0.00 -0.73 0.08 0.00 -1.01 0.00 0.00 64.21 62.55 2aqe n SER 2 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2aqe n ASN 3 N -0.27 -0.15 -0.95 6.43 6.94 -1.26 -4.92 115.26 121.08 2aqe n ASN 3 Ca 0.40 -2.48 0.02 0.00 -0.02 0.00 0.00 54.58 52.49 2aqe n ASN 3 Cb 1.34 0.20 0.21 0.00 -2.36 0.00 0.00 39.78 39.18 2aqe n ASN 3 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2aqe n SER 4 N -0.49 2.92 0.00 0.53 7.64 -1.26 -5.03 113.62 117.93 2aqe n SER 4 Ca 0.01 -3.46 0.00 0.00 1.01 0.00 0.00 58.87 56.43 2aqe n SER 4 Cb 0.84 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 2aqe n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aqe n GLY 5 N -0.95 0.78 2.13 0.23 0.00 -1.26 -4.81 105.19 101.31 2aqe n GLY 5 Ca 0.27 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 -4.35 1.61 3.00 -1.26 -5.07 116.66 110.59 2aqe n ARG 6 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.66 2aqe n ARG 6 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.37 2aqe n ARG 6 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 2aqe s ARG 7 N -2.00 1.59 0.89 -0.14 1.70 -1.26 -5.12 118.95 114.62 2aqe s ARG 7 Ca 0.00 -1.91 -0.14 0.00 -0.47 0.00 0.00 55.73 53.21 2aqe s ARG 7 Cb 0.00 -0.18 0.14 0.00 -0.57 0.00 0.00 34.95 34.34 2aqe s ARG 7 CO 0.00 -0.42 1.24 -1.12 -1.08 0.00 0.00 175.30 173.92 2aqe s SER 8 N -3.39 3.77 -0.02 -2.89 0.01 -1.26 -5.08 113.70 104.84 2aqe s SER 8 Ca 0.35 0.56 -0.29 0.00 1.31 0.00 0.00 55.95 57.88 2aqe s SER 8 Cb 0.05 -0.85 0.11 0.00 0.21 0.00 0.00 66.02 65.54 2aqe s SER 8 CO 0.17 -2.35 1.30 0.00 0.41 0.00 0.00 173.24 172.76 2aqe s ALA 9 N -3.69 -2.37 -0.43 1.44 0.00 -1.26 -5.10 121.76 110.36 2aqe s ALA 9 Ca 0.68 0.37 -0.41 0.00 0.00 0.00 0.00 51.96 52.60 2aqe s ALA 9 Cb -0.08 0.62 -0.16 0.00 0.00 0.00 0.00 23.12 23.50 2aqe s ALA 9 CO 0.51 -1.10 2.10 -2.30 0.00 0.00 0.00 175.76 174.97 2aqe n PRO 10 N -0.70 0.47 -2.22 0.00 -0.02 -1.26 -4.81 135.00 126.47 2aqe n PRO 10 Ca -0.02 0.14 -0.40 0.00 -2.02 0.00 0.00 63.50 61.19 2aqe n PRO 10 Cb 0.61 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 32.17 2aqe n PRO 10 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2aqe s PRO 11 N 5.74 2.89 0.00 0.52 0.02 -1.26 -4.76 135.00 138.15 2aqe s PRO 11 Ca 1.14 0.39 0.00 0.00 0.02 0.00 0.00 61.00 62.55 2aqe s PRO 11 Cb -1.24 -4.29 0.00 0.00 0.02 0.00 0.00 34.50 28.99 2aqe s PRO 11 CO 0.61 -2.45 0.00 1.28 -0.33 0.00 0.00 177.00 176.11 2aqe n LEU 12 N 11.37 0.00 0.00 -5.54 4.32 -1.26 -5.03 117.00 120.86 2aqe n LEU 12 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 2aqe n LEU 12 Cb 0.51 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 2aqe n LEU 12 CO 0.71 -0.18 0.00 -3.20 -1.22 0.00 0.00 177.39 173.50 2aqe n ASN 13 N -1.55 0.00 0.27 -1.43 2.85 -1.26 -4.84 115.26 109.29 2aqe n ASN 13 Ca 0.00 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.58 2aqe n ASN 13 Cb 0.00 0.05 0.75 0.00 1.24 0.00 0.00 39.78 41.82 2aqe n ASN 13 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2aqe h LEU 14 N 0.00 0.00 -8.51 1.20 5.85 -1.88 -3.39 115.31 108.58 2aqe h LEU 14 Ca 0.00 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 58.20 2aqe h LEU 14 Cb 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2aqe h LEU 14 CO 0.00 0.00 1.27 0.42 -0.34 0.00 0.00 178.44 179.79 2aqe s THR 15 N -4.90 3.47 0.00 1.05 -4.23 -1.26 -2.62 115.64 107.15 2aqe s THR 15 Ca -0.05 0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.77 2aqe s THR 15 Cb 0.16 -4.13 0.00 0.00 1.34 0.00 0.00 72.50 69.87 2aqe s THR 15 CO 0.62 -1.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 2aqe n GLY 16 N 5.58 1.78 3.06 3.99 0.00 -1.26 -4.84 105.19 113.50 2aqe n GLY 16 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 2.27 0.16 0.99 1.43 -1.08 -5.12 118.68 117.33 2aqe s LEU 17 Ca 0.00 -0.57 -0.30 0.00 -1.03 0.00 0.00 54.13 52.22 2aqe s LEU 17 Cb 0.00 -0.15 -0.08 0.00 0.03 0.00 0.00 46.19 45.99 2aqe s LEU 17 CO 0.00 -0.22 1.29 -2.16 0.23 0.00 0.00 176.35 175.49 2aqe s PRO 18 N -1.70 4.40 0.00 1.29 0.04 -1.26 -3.00 135.00 134.77 2aqe s PRO 18 Ca -0.09 1.99 0.00 0.00 0.04 0.00 0.00 61.00 62.94 2aqe s PRO 18 Cb -0.09 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.22 2aqe s PRO 18 CO 0.00 -0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.19 2aqe n GLY 19 N 2.67 2.59 0.43 0.56 0.00 -1.26 -3.93 105.19 106.25 2aqe n GLY 19 Ca 0.07 -0.42 0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 0.56 0.03 2.61 2.02 -1.80 0.68 112.91 117.02 2aqe h THR 20 Ca 0.00 -0.10 -0.22 0.00 0.77 0.00 0.00 66.41 66.86 2aqe h THR 20 Cb 0.00 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 2aqe h THR 20 CO 0.00 0.05 -0.99 -0.08 0.37 0.00 0.00 175.52 174.88 2aqe h GLU 21 N 0.28 0.19 0.00 6.66 4.57 -1.87 -3.11 114.58 121.30 2aqe h GLU 21 Ca 0.52 -0.25 -0.02 0.00 -1.18 0.00 0.00 59.36 58.43 2aqe h GLU 21 Cb 1.53 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 30.19 2aqe h GLU 21 CO -0.17 1.03 -0.11 0.87 -1.18 0.00 0.00 179.01 179.44 2aqe h LYS 22 N 0.09 0.00 -6.46 1.92 1.57 -0.06 -3.41 116.57 110.22 2aqe h LYS 22 Ca -0.06 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.18 2aqe h LYS 22 Cb 1.66 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.98 2aqe h LYS 22 CO 0.15 0.11 0.71 -0.51 -0.57 0.00 0.00 179.45 179.35 2aqe s LEU 23 N -8.34 4.35 0.91 2.94 1.43 -0.60 -4.97 118.68 114.40 2aqe s LEU 23 Ca -0.04 2.14 -0.14 0.00 -1.03 0.00 0.00 54.13 55.06 2aqe s LEU 23 Cb 0.15 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.81 2aqe s LEU 23 CO 0.65 -0.62 0.35 0.59 0.23 0.00 0.00 176.35 177.55 2aqe n ASN 24 N 4.50 -2.16 -0.12 2.29 4.13 -1.26 -4.42 115.26 118.21 2aqe n ASN 24 Ca 0.11 0.37 0.22 0.00 1.68 0.00 0.00 54.58 56.96 2aqe n ASN 24 Cb 0.44 -1.18 0.64 0.00 -1.54 0.00 0.00 39.78 38.14 2aqe n ASN 24 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2aqe h GLU 25 N -1.29 0.13 0.46 3.52 5.08 -1.93 0.75 114.58 121.30 2aqe h GLU 25 Ca -0.44 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 2aqe h GLU 25 Cb 1.30 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2aqe h GLU 25 CO 0.35 0.09 -0.22 0.87 -1.00 0.00 0.00 179.01 179.10 2aqe h LYS 26 N 0.14 -0.59 -0.20 2.33 6.56 -2.02 -2.98 116.57 119.80 2aqe h LYS 26 Ca 0.36 0.04 0.05 0.00 -1.06 0.00 0.00 60.65 60.04 2aqe h LYS 26 Cb 1.23 0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 33.02 2aqe h LYS 26 CO -0.05 -0.29 0.14 0.93 -2.06 0.00 0.00 179.45 178.12 2aqe h GLU 27 N -1.00 0.04 -0.20 3.15 5.08 -1.68 -2.22 114.58 117.75 2aqe h GLU 27 Ca -0.06 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2aqe h GLU 27 Cb 0.57 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 2aqe h GLU 27 CO 0.10 0.02 -0.17 0.87 -1.00 0.00 0.00 179.01 178.84 2aqe h LYS 28 N 0.04 -0.18 -0.32 2.33 1.57 -0.73 -0.51 116.57 118.77 2aqe h LYS 28 Ca 0.09 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2aqe h LYS 28 Cb 0.33 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2aqe h LYS 28 CO -0.00 -0.12 -0.04 1.49 -0.57 0.00 0.00 179.45 180.21 2aqe h GLU 29 N -0.18 0.59 -0.99 3.15 4.81 -1.32 -0.51 114.58 120.12 2aqe h GLU 29 Ca 0.12 -0.21 0.16 0.00 -0.13 0.00 0.00 59.36 59.30 2aqe h GLU 29 Cb 0.36 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.60 2aqe h GLU 29 CO -0.30 0.75 0.62 1.25 -0.73 0.00 0.00 179.01 180.59 2aqe h LEU 30 N 0.37 0.80 0.14 1.64 5.85 -1.10 -0.59 115.31 122.42 2aqe h LEU 30 Ca 0.08 0.07 -0.26 0.00 0.84 0.00 0.00 57.88 58.61 2aqe h LEU 30 Cb 0.51 -0.08 0.03 0.00 0.37 0.00 0.00 40.66 41.49 2aqe h LEU 30 CO 0.02 0.35 -1.11 0.00 -0.34 0.00 0.00 178.44 177.36 2aqe h GLN 32 N 0.04 0.00 0.00 0.00 4.20 -0.12 -2.58 115.11 116.65 2aqe h GLN 32 Ca -0.18 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 2aqe h GLN 32 Cb 1.83 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.61 2aqe h GLN 32 CO 0.21 0.00 -0.00 0.28 -0.67 0.00 0.00 178.83 178.65 2aqe h VAL 33 N 0.00 0.00 -1.22 -0.54 2.07 -1.14 -3.38 116.25 112.04 2aqe h VAL 33 Ca 0.05 -0.87 -0.70 0.00 0.82 0.00 0.00 66.70 66.00 2aqe h VAL 33 Cb 0.32 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.98 2aqe h VAL 33 CO -0.00 0.00 2.01 0.55 0.02 0.00 0.00 177.57 180.15 2aqe n VAL 34 N -4.42 4.02 -0.74 2.57 3.14 -0.99 -4.90 118.33 117.02 2aqe n VAL 34 Ca -0.00 -4.23 -0.12 0.00 -2.96 0.00 0.00 64.34 57.03 2aqe n VAL 34 Cb 0.00 -2.41 -0.11 0.00 -1.06 0.00 0.00 33.84 30.27 2aqe n VAL 34 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 2aqe n ARG 35 N 7.15 0.00 -4.56 1.45 1.85 -1.09 -4.73 116.66 116.74 2aqe n ARG 35 Ca 0.45 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 57.04 2aqe n ARG 35 Cb 0.44 -0.52 -0.09 0.00 -1.05 0.00 0.00 32.46 31.24 2aqe n ARG 35 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2aqe s LEU 36 N 0.59 2.18 0.29 2.89 0.20 -1.22 -4.90 118.68 118.71 2aqe s LEU 36 Ca 0.65 -1.56 0.08 0.00 0.69 0.00 0.00 54.13 53.98 2aqe s LEU 36 Cb -0.44 -0.38 -0.03 0.00 -0.43 0.00 0.00 46.19 44.90 2aqe s LEU 36 CO 0.27 -0.79 0.19 0.68 -0.29 0.00 0.00 176.35 176.42 2aqe s VAL 37 N -3.12 3.93 0.00 1.68 -7.23 -1.26 -2.97 120.40 111.42 2aqe s VAL 37 Ca 0.24 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 2aqe s VAL 37 Cb 0.05 -3.23 0.00 0.00 0.56 0.00 0.00 36.38 33.76 2aqe s VAL 37 CO 0.13 -0.29 0.21 -0.81 -0.31 0.00 0.00 175.10 174.03 2aqe n PRO 38 N -1.20 0.00 -0.57 4.82 -0.04 -1.26 -2.02 135.00 134.73 2aqe n PRO 38 Ca -0.05 0.00 0.45 0.00 -0.04 0.00 0.00 63.50 63.86 2aqe n PRO 38 Cb 0.59 -0.66 0.73 0.00 -0.04 0.00 0.00 33.50 34.13 2aqe n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2aqe n GLY 39 N 1.01 -0.90 0.09 0.55 0.00 -1.25 0.14 105.19 104.83 2aqe n GLY 39 Ca 0.00 0.74 -0.12 0.00 0.00 0.00 0.00 46.02 46.63 2aqe n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aqe h ALA 40 N 1.36 -0.09 -0.29 4.61 0.00 -1.95 -2.30 119.26 120.61 2aqe h ALA 40 Ca 0.91 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 55.60 2aqe h ALA 40 Cb 3.21 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 20.97 2aqe h ALA 40 CO -0.29 -0.22 -0.14 -0.92 0.00 0.00 0.00 179.25 177.68 2aqe h TYR 41 N -0.74 -0.34 -0.90 0.00 5.03 0.32 0.31 116.97 120.65 2aqe h TYR 41 Ca -0.01 0.03 0.17 0.00 2.58 0.00 0.00 58.73 61.50 2aqe h TYR 41 Cb 0.60 0.19 -0.07 0.00 1.55 0.00 0.00 36.73 39.00 2aqe h TYR 41 CO 0.13 -0.21 0.58 -0.07 -1.32 0.00 0.00 178.16 177.27 2aqe h LEU 42 N -0.10 0.57 0.38 2.82 3.38 -1.21 0.15 115.31 121.31 2aqe h LEU 42 Ca 0.15 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2aqe h LEU 42 Cb 0.33 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2aqe h LEU 42 CO -0.35 0.26 -0.18 -0.33 0.09 0.00 0.00 178.44 177.92 2aqe h GLU 43 N 0.58 -0.49 -0.18 1.13 5.08 -0.06 -2.38 114.58 118.26 2aqe h GLU 43 Ca 0.47 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.90 2aqe h GLU 43 Cb 0.91 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.20 2aqe h GLU 43 CO -0.21 -0.25 -0.53 1.88 -1.00 0.00 0.00 179.01 178.90 2aqe h TYR 44 N -1.08 -1.57 -0.92 4.33 0.05 -0.01 0.59 116.97 118.37 2aqe h TYR 44 Ca -0.05 0.06 0.22 0.00 0.05 0.00 0.00 58.73 59.01 2aqe h TYR 44 Cb 0.47 0.71 -0.12 0.00 1.01 0.00 0.00 36.73 38.80 2aqe h TYR 44 CO 0.02 -0.53 0.45 -0.22 -1.05 0.00 0.00 178.16 176.83 2aqe h LYS 45 N -0.54 0.45 -0.59 4.88 3.64 -0.82 0.18 116.57 123.77 2aqe h LYS 45 Ca 0.05 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2aqe h LYS 45 Cb 0.66 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 2aqe h LYS 45 CO -0.46 0.30 0.31 0.77 -2.27 0.00 0.00 179.45 178.10 2aqe h SER 46 N 0.47 0.75 -0.17 4.20 0.02 -0.39 -2.12 113.55 116.31 2aqe h SER 46 Ca 0.57 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 2aqe h SER 46 Cb 1.07 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 2aqe h SER 46 CO -0.50 0.65 0.11 0.00 -1.14 0.00 0.00 176.83 175.95 2aqe h ALA 47 N 1.14 1.87 0.18 3.77 0.00 0.71 -2.38 119.26 124.55 2aqe h ALA 47 Ca 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2aqe h ALA 47 Cb 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2aqe h ALA 47 CO -0.03 0.12 -0.09 -0.07 0.00 0.00 0.00 179.25 179.18 2aqe h LEU 48 N 0.24 -0.21 -2.11 0.00 3.38 -0.82 -2.58 115.31 113.21 2aqe h LEU 48 Ca 0.06 -0.33 0.08 0.00 0.09 0.00 0.00 57.88 57.79 2aqe h LEU 48 Cb -0.02 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2aqe h LEU 48 CO -0.01 0.30 0.31 -0.07 0.09 0.00 0.00 178.44 179.06 2aqe h LEU 49 N -0.81 0.00 0.23 1.67 -0.00 -1.25 0.32 115.31 115.47 2aqe h LEU 49 Ca -0.02 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.54 2aqe h LEU 49 Cb 0.52 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.21 2aqe h LEU 49 CO 0.04 0.00 -1.40 -1.13 -0.00 0.00 0.00 178.44 175.95 2aqe h ASN 50 N 0.00 0.76 0.14 -0.43 -0.00 -1.35 -2.38 115.58 112.32 2aqe h ASN 50 Ca 0.13 -0.93 -0.27 0.00 -0.00 0.00 0.00 56.30 55.24 2aqe h ASN 50 Cb 0.76 -0.25 0.01 0.00 -0.00 0.00 0.00 38.32 38.84 2aqe h ASN 50 CO -0.00 1.67 -1.30 -0.08 -0.00 0.00 0.00 177.43 177.72 2aqe h GLU 51 N 0.05 0.30 -0.40 6.67 4.81 -0.95 -2.63 114.58 122.42 2aqe h GLU 51 Ca -0.25 -0.51 0.03 0.00 -0.13 0.00 0.00 59.36 58.50 2aqe h GLU 51 Cb 2.07 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 31.61 2aqe h GLU 51 CO 0.24 1.24 0.20 0.00 -0.73 0.00 0.00 179.01 179.97 2aqe h HIS 53 N 0.41 1.12 -0.50 0.00 -0.00 -1.55 1.23 115.15 115.87 2aqe h HIS 53 Ca 0.17 -0.15 0.10 0.00 -0.00 0.00 0.00 60.37 60.49 2aqe h HIS 53 Cb 0.07 -0.31 -0.09 0.00 -0.00 0.00 0.00 27.41 27.08 2aqe h HIS 53 CO -0.10 0.94 -0.08 -0.22 -0.00 0.00 0.00 177.93 178.47 2aqe h LYS 54 N 0.98 0.03 0.00 5.26 3.64 -1.00 -1.65 116.57 123.83 2aqe h LYS 54 Ca 0.20 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2aqe h LYS 54 Cb 0.41 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2aqe h LYS 54 CO 0.01 0.02 -1.03 1.04 -2.27 0.00 0.00 179.45 177.22 2aqe n GLN 55 N -5.32 0.61 0.00 1.90 1.13 -0.97 -5.00 117.38 109.73 2aqe n GLN 55 Ca 0.05 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 2aqe n GLN 55 Cb 0.27 -1.82 0.00 0.00 0.11 0.00 0.00 30.24 28.80 2aqe n GLN 55 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2aqe n GLY 56 N 1.18 2.58 1.78 1.08 0.00 0.42 -5.05 105.19 107.17 2aqe n GLY 56 Ca -0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 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 3.05 3.38 -0.02 0.00 -0.80 -4.16 105.19 106.64 2aqe n GLY 57 Ca 0.00 -1.66 -0.15 0.00 0.00 0.00 0.00 46.02 44.21 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 0.14 0.00 0.99 0.20 -1.05 -4.74 118.68 114.23 2aqe s LEU 58 Ca 0.19 0.57 0.00 0.00 0.69 0.00 0.00 54.13 55.58 2aqe s LEU 58 Cb 0.00 1.81 0.00 0.00 -0.43 0.00 0.00 46.19 47.57 2aqe s LEU 58 CO 0.14 -0.41 0.00 -1.14 -0.29 0.00 0.00 176.35 174.64 2aqe n ARG 59 N 1.63 2.75 0.00 1.98 0.63 -1.26 -2.16 116.66 120.23 2aqe n ARG 59 Ca -0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 2aqe n ARG 59 Cb 0.56 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.47 2aqe n ARG 59 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2aqe n LEU 60 N 0.00 1.42 0.06 6.15 7.94 -1.26 -4.53 117.00 126.77 2aqe n LEU 60 Ca 0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.78 2aqe n LEU 60 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 2aqe n LEU 60 CO 0.00 0.22 0.67 0.00 -1.11 0.00 0.00 177.39 177.17 2aqe h ALA 61 N 0.00 -0.40 -0.65 1.96 0.00 -2.01 0.19 119.26 118.35 2aqe h ALA 61 Ca 0.00 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.09 2aqe h ALA 61 Cb 0.94 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 2aqe h ALA 61 CO 0.00 -0.79 0.48 1.96 0.00 0.00 0.00 179.25 180.89 2aqe h GLN 62 N -0.43 0.00 -0.39 0.00 1.08 -1.99 0.42 115.11 113.80 2aqe h GLN 62 Ca 0.06 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.15 2aqe h GLN 62 Cb 0.52 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 2aqe h GLN 62 CO -0.25 0.00 -0.22 0.00 -0.95 0.00 0.00 178.83 177.41 2aqe h ALA 63 N 1.66 0.55 -0.98 3.87 0.00 -0.89 -2.74 119.26 120.73 2aqe h ALA 63 Ca 0.31 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2aqe h ALA 63 Cb 1.26 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 2aqe h ALA 63 CO -0.00 0.52 0.64 0.00 0.00 0.00 0.00 179.25 180.41 2aqe h ARG 64 N 0.63 1.23 0.00 0.00 -0.00 -0.04 -0.52 114.38 115.68 2aqe h ARG 64 Ca 0.08 -0.07 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 2aqe h ARG 64 Cb 0.78 -0.28 0.00 0.00 0.00 0.00 0.00 29.97 30.47 2aqe h ARG 64 CO 0.06 0.82 0.00 0.00 0.00 0.00 0.00 179.97 180.85 2aqe n ALA 65 N -2.37 2.04 -0.46 0.04 0.00 -1.09 -4.25 120.51 114.42 2aqe n ALA 65 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2aqe n ALA 65 Cb 0.06 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 -1.45 0.63 0.00 0.00 0.00 -0.22 -5.04 117.00 110.92 2aqe n LEU 66 Ca 0.06 0.12 0.00 0.00 0.00 0.00 0.00 56.01 56.20 2aqe n LEU 66 Cb 0.24 -0.27 0.00 0.00 0.00 0.00 0.00 43.42 43.39 2aqe n LEU 66 CO 0.20 -0.27 0.00 2.30 0.00 0.00 0.00 177.39 179.62 2aqe n ILE 67 N -1.71 0.00 -1.74 1.96 -5.35 -1.12 -4.94 119.36 106.46 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 -1.44 0.00 0.00 -1.74 0.00 0.00 39.64 36.46 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 -0.71 0.00 0.00 6.28 4.76 -1.26 -4.75 118.16 122.48 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 -0.00 -1.26 -5.07 119.36 112.85 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 0.47 -0.00 0.00 0.00 176.55 177.02 2aqe n ASP 70 N -0.91 0.00 0.00 7.28 9.92 -1.26 -5.04 116.55 126.54 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 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 -0.30 0.00 0.12 2.53 3.14 -1.26 -4.83 118.33 117.73 2aqe n VAL 71 Ca 0.00 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.36 2aqe n VAL 71 Cb 0.00 0.00 0.19 0.00 -1.06 0.00 0.00 33.84 32.97 2aqe n VAL 71 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 2aqe h ASN 72 N 0.00 0.13 0.65 6.55 -0.73 -1.97 0.06 115.58 120.26 2aqe h ASN 72 Ca 0.00 -0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.07 2aqe h ASN 72 Cb 0.00 -0.04 0.01 0.00 0.27 0.00 0.00 38.32 38.56 2aqe h ASN 72 CO 0.00 0.65 -0.31 0.11 -0.37 0.00 0.00 177.43 177.51 2aqe h LYS 73 N 0.09 -0.84 -0.89 6.67 6.56 -1.99 -2.22 116.57 123.96 2aqe h LYS 73 Ca -0.00 0.06 0.03 0.00 -1.06 0.00 0.00 60.65 59.68 2aqe h LYS 73 Cb 0.99 0.19 -0.05 0.00 -0.57 0.00 0.00 32.23 32.79 2aqe h LYS 73 CO 0.08 -0.52 0.57 1.15 -2.06 0.00 0.00 179.45 178.67 2aqe h THR 74 N -1.12 1.16 -1.02 -0.16 2.02 -1.88 -1.42 112.91 110.49 2aqe h THR 74 Ca -0.09 -0.39 0.26 0.00 0.77 0.00 0.00 66.41 66.97 2aqe h THR 74 Cb 0.71 -0.07 -0.08 0.00 -1.74 0.00 0.00 68.15 66.97 2aqe h THR 74 CO 0.15 0.21 0.67 -0.09 0.37 0.00 0.00 175.52 176.83 2aqe h ARG 75 N 1.13 0.30 0.00 6.66 2.43 -0.82 0.17 114.38 124.26 2aqe h ARG 75 Ca 0.35 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 2aqe h ARG 75 Cb -0.02 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2aqe h ARG 75 CO -0.11 0.20 -0.08 0.87 -1.51 0.00 0.00 179.97 179.34 2aqe h LYS 76 N 0.31 0.00 0.46 0.20 1.57 -0.63 -2.24 116.57 116.23 2aqe h LYS 76 Ca 0.55 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.31 2aqe h LYS 76 Cb 1.54 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.84 2aqe h LYS 76 CO -0.20 0.56 -0.33 0.82 -0.57 0.00 0.00 179.45 179.72 2aqe h ILE 77 N -1.00 0.31 -0.73 1.86 2.04 -1.14 -2.55 117.51 116.31 2aqe h ILE 77 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2aqe h ILE 77 Cb 0.59 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 2aqe h ILE 77 CO -0.01 0.00 0.47 1.88 0.00 0.00 0.00 178.15 180.49 2aqe h TYR 78 N -0.78 0.92 -0.53 1.37 0.05 -0.84 -2.27 116.97 114.89 2aqe h TYR 78 Ca -0.05 0.02 0.10 0.00 0.05 0.00 0.00 58.73 58.85 2aqe h TYR 78 Cb 0.66 -0.31 -0.08 0.00 1.01 0.00 0.00 36.73 38.00 2aqe h TYR 78 CO -0.14 0.59 0.03 -0.44 -1.05 0.00 0.00 178.16 177.16 2aqe h ASP 79 N 0.99 -0.16 -0.34 3.88 3.32 -1.00 0.35 116.42 123.46 2aqe h ASP 79 Ca 0.26 0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.47 2aqe h ASP 79 Cb -0.09 0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 2aqe h ASP 79 CO -0.06 -0.05 0.12 0.15 -1.72 0.00 0.00 179.24 177.68 2aqe h PHE 80 N 0.15 0.21 -0.78 4.55 3.57 -1.10 -0.17 116.94 123.38 2aqe h PHE 80 Ca 0.27 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 2aqe h PHE 80 Cb 0.41 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 2aqe h PHE 80 CO -0.30 0.09 0.37 -0.07 -2.23 0.00 0.00 178.31 176.17 2aqe h LEU 81 N 0.26 1.02 0.00 0.59 3.38 -0.88 -0.76 115.31 118.93 2aqe h LEU 81 Ca 0.15 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2aqe h LEU 81 Cb 0.13 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2aqe h LEU 81 CO -0.16 0.87 0.00 -0.38 0.09 0.00 0.00 178.44 178.86 2aqe n ILE 82 N -4.37 0.00 -0.20 1.22 2.08 0.10 -2.71 119.36 115.49 2aqe n ILE 82 Ca 0.07 1.26 0.28 0.00 0.56 0.00 0.00 62.75 64.92 2aqe n ILE 82 Cb 0.14 -2.26 0.69 0.00 -0.75 0.00 0.00 39.64 37.46 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 0.06 0.00 0.38 -0.00 -1.12 -3.36 114.38 110.35 2aqe h ARG 83 Ca 0.00 -0.00 -0.42 0.00 -0.50 0.00 0.00 59.98 59.05 2aqe h ARG 83 Cb 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 29.97 30.05 2aqe h ARG 83 CO 0.00 0.04 0.16 0.39 0.00 0.00 0.00 179.97 180.56 2aqe n GLU 84 N -4.31 -0.26 -2.13 0.04 -0.58 -0.29 -4.97 120.64 108.14 2aqe n GLU 84 Ca 0.19 -2.41 -0.41 0.00 -0.42 0.00 0.00 57.16 54.12 2aqe n GLU 84 Cb 0.94 -0.73 -0.00 0.00 -0.57 0.00 0.00 31.44 31.08 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 -2.27 5.09 1.02 0.62 0.00 -1.26 -4.42 105.19 103.98 2aqe n GLY 85 Ca 0.15 -2.09 -0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 2.35 0.00 -0.01 1.61 4.02 -1.16 -4.97 117.16 119.01 2aqe n TYR 86 Ca 0.54 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 58.42 2aqe n TYR 86 Cb 0.28 -0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 39.58 2aqe n TYR 86 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 2aqe n ILE 87 N -3.52 0.07 -2.12 -0.72 -5.35 -1.10 -4.85 119.36 101.77 2aqe n ILE 87 Ca -0.00 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 2aqe n ILE 87 Cb 0.03 -0.55 0.00 0.00 -1.74 0.00 0.00 39.64 37.38 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 -2.53 -7.30 -1.18 7.28 -2.24 -1.23 -3.15 114.28 103.93 2aqe n THR 88 Ca -0.02 1.75 -0.34 0.00 -2.27 0.00 0.00 64.05 63.17 2aqe n THR 88 Cb 0.52 -3.83 0.12 0.00 -2.10 0.00 0.00 70.33 65.04 2aqe n THR 88 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2aqe s LYS 89 N -0.32 1.72 0.00 -0.78 0.00 -0.92 -2.52 119.74 116.92 2aqe s LYS 89 Ca 0.00 1.81 0.00 0.00 0.00 0.00 0.00 55.97 57.78 2aqe s LYS 89 Cb 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 37.83 36.05 2aqe s LYS 89 CO 0.00 -2.17 0.20 0.00 0.00 0.00 0.00 175.35 173.38