#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 4.29 -3.45 1.61 7.64 -1.26 -4.68 113.62 117.77 2aqe n SER 2 Ca 0.00 -2.51 -0.25 0.00 1.01 0.00 0.00 58.87 57.13 2aqe n SER 2 Cb 0.00 -1.18 -0.12 0.00 -1.01 0.00 0.00 64.21 61.90 2aqe n SER 2 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2aqe s ASN 3 N 3.85 2.57 -0.43 6.43 3.04 -1.26 -4.98 114.94 124.16 2aqe s ASN 3 Ca 0.48 -1.60 -0.23 0.00 0.04 0.00 0.00 52.86 51.56 2aqe s ASN 3 Cb 0.13 -0.05 0.03 0.00 -1.54 0.00 0.00 41.25 39.82 2aqe s ASN 3 CO 0.01 -0.35 0.59 -0.24 -3.04 0.00 0.00 177.10 174.08 2aqe n SER 4 N 4.61 -7.10 -4.74 -4.21 2.88 -1.26 -4.88 113.62 98.92 2aqe n SER 4 Ca 0.05 0.33 -0.36 0.00 -1.33 0.00 0.00 58.87 57.55 2aqe n SER 4 Cb 0.41 -4.05 0.06 0.00 -0.75 0.00 0.00 64.21 59.89 2aqe n SER 4 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2aqe s GLY 5 N -2.16 2.75 0.13 0.46 0.00 -1.26 -4.98 107.32 102.26 2aqe s GLY 5 Ca 0.28 1.10 -0.20 0.00 0.00 0.00 0.00 44.72 45.90 2aqe s GLY 5 CO 0.79 1.51 0.63 -1.60 0.00 0.00 0.00 173.10 174.43 2aqe s ARG 6 N -3.43 4.24 -0.16 2.90 3.52 -1.26 -5.06 118.95 119.69 2aqe s ARG 6 Ca 0.80 0.79 -0.02 0.00 -0.13 0.00 0.00 55.73 57.17 2aqe s ARG 6 Cb -0.34 -3.13 -0.01 0.00 -1.56 0.00 0.00 34.95 29.91 2aqe s ARG 6 CO 0.38 0.56 -0.09 1.03 -0.81 0.00 0.00 175.30 176.37 2aqe s ARG 7 N -1.40 3.44 0.00 5.12 0.52 -1.26 -5.07 118.95 120.30 2aqe s ARG 7 Ca 0.34 -0.63 -0.06 0.00 -0.52 0.00 0.00 55.73 54.86 2aqe s ARG 7 Cb -0.19 -2.80 0.02 0.00 0.52 0.00 0.00 34.95 32.50 2aqe s ARG 7 CO 0.21 0.09 0.27 0.45 0.02 0.00 0.00 175.30 176.33 2aqe n SER 8 N 3.92 -0.28 -1.17 0.23 2.88 -1.26 -5.16 113.62 112.78 2aqe n SER 8 Ca -0.18 -1.08 0.14 0.00 -1.33 0.00 0.00 58.87 56.42 2aqe n SER 8 Cb 0.52 0.44 -0.05 0.00 -0.75 0.00 0.00 64.21 64.37 2aqe n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2aqe n ALA 9 N -2.55 -3.35 -1.60 -1.46 0.00 -1.26 -4.43 120.51 105.86 2aqe n ALA 9 Ca -0.02 0.47 -0.43 0.00 0.00 0.00 0.00 53.44 53.45 2aqe n ALA 9 Cb 0.13 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 2aqe n ALA 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2aqe n PRO 10 N -3.59 1.97 -2.08 0.00 -0.04 -1.26 -4.88 135.00 125.12 2aqe n PRO 10 Ca -0.02 0.54 -0.40 0.00 -0.04 0.00 0.00 63.50 63.59 2aqe n PRO 10 Cb 0.63 -3.22 -0.03 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 6.30 2.86 -0.90 0.54 0.02 -1.26 -4.69 135.00 137.87 2aqe s PRO 11 Ca 1.01 0.76 -0.02 0.00 0.02 0.00 0.00 61.00 62.76 2aqe s PRO 11 Cb -0.35 -4.31 0.22 0.00 0.02 0.00 0.00 34.50 30.08 2aqe s PRO 11 CO 0.36 -2.45 0.79 -0.51 -0.33 0.00 0.00 177.00 174.85 2aqe s LEU 12 N 8.24 5.60 0.00 -5.54 1.02 -1.26 -4.86 118.68 121.88 2aqe s LEU 12 Ca 0.68 -3.67 0.00 0.00 0.02 0.00 0.00 54.13 51.16 2aqe s LEU 12 Cb -0.14 -1.93 0.00 0.00 0.02 0.00 0.00 46.19 44.14 2aqe s LEU 12 CO 0.24 -0.20 0.00 -3.20 0.02 0.00 0.00 176.35 173.21 2aqe n ASN 13 N 2.42 0.00 -0.35 2.29 5.15 -1.26 -4.54 115.26 118.96 2aqe n ASN 13 Ca 0.21 0.00 0.33 0.00 -0.60 0.00 0.00 54.58 54.51 2aqe n ASN 13 Cb 0.37 0.00 0.59 0.00 -0.53 0.00 0.00 39.78 40.22 2aqe n ASN 13 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2aqe h LEU 14 N 0.00 0.32 -8.23 1.20 5.85 -1.89 -3.37 115.31 109.19 2aqe h LEU 14 Ca 0.00 0.23 -0.31 0.00 0.84 0.00 0.00 57.88 58.64 2aqe h LEU 14 Cb 0.00 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 2aqe h LEU 14 CO 0.00 -0.35 1.30 1.07 -0.34 0.00 0.00 178.44 180.12 2aqe n THR 15 N -5.11 -0.02 0.00 1.05 5.66 -1.26 -4.29 114.28 110.31 2aqe n THR 15 Ca 0.37 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 2aqe n THR 15 Cb 1.30 -1.31 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 6.21 0.18 1.04 1.09 0.00 -1.26 -5.05 105.19 107.40 2aqe n GLY 16 Ca 0.55 -1.85 0.13 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.52 -4.85 0.99 4.77 -1.26 -4.37 117.00 111.76 2aqe n LEU 17 Ca 0.00 1.17 -0.38 0.00 -0.03 0.00 0.00 56.01 56.78 2aqe n LEU 17 Cb 0.00 -3.34 -0.06 0.00 -2.33 0.00 0.00 43.42 37.69 2aqe n LEU 17 CO 0.00 -2.43 0.05 -2.16 -1.33 0.00 0.00 177.39 171.51 2aqe s PRO 18 N -2.34 3.81 0.00 3.23 0.04 -1.26 -4.32 135.00 134.16 2aqe s PRO 18 Ca 0.00 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.33 2aqe s PRO 18 Cb 0.00 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2aqe s PRO 18 CO 0.00 0.70 0.00 0.41 0.04 0.00 0.00 177.00 178.15 2aqe n GLY 19 N 1.78 3.06 0.37 0.56 0.00 -1.26 -4.39 105.19 105.30 2aqe n GLY 19 Ca -0.15 -0.86 0.21 0.00 0.00 0.00 0.00 46.02 45.22 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 0.47 -0.15 2.61 2.02 -1.76 0.40 112.91 116.50 2aqe h THR 20 Ca 0.00 -0.16 -0.18 0.00 0.77 0.00 0.00 66.41 66.84 2aqe h THR 20 Cb 0.00 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.38 2aqe h THR 20 CO 0.00 0.08 -0.64 -0.08 0.37 0.00 0.00 175.52 175.26 2aqe h GLU 21 N 0.46 0.55 0.00 6.66 4.57 -1.85 -2.91 114.58 122.07 2aqe h GLU 21 Ca 0.65 -0.39 -0.02 0.00 -1.18 0.00 0.00 59.36 58.42 2aqe h GLU 21 Cb 1.45 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 30.10 2aqe h GLU 21 CO -0.44 1.01 -0.09 0.87 -1.18 0.00 0.00 179.01 179.18 2aqe h LYS 22 N 0.40 0.00 -6.23 1.92 1.57 -0.56 -3.38 116.57 110.30 2aqe h LYS 22 Ca -0.01 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.20 2aqe h LYS 22 Cb 1.20 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.46 2aqe h LYS 22 CO 0.12 0.09 0.90 -0.51 -0.57 0.00 0.00 179.45 179.48 2aqe s LEU 23 N -8.04 4.04 0.78 2.94 1.43 -0.73 -4.48 118.68 114.62 2aqe s LEU 23 Ca -0.04 1.41 -0.16 0.00 -1.03 0.00 0.00 54.13 54.31 2aqe s LEU 23 Cb 0.15 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.77 2aqe s LEU 23 CO 0.62 -0.87 0.19 -3.20 0.23 0.00 0.00 176.35 173.32 2aqe n ASN 24 N 6.94 -2.52 -0.34 2.29 5.15 -1.26 -4.18 115.26 121.34 2aqe n ASN 24 Ca 0.14 0.49 0.15 0.00 -0.60 0.00 0.00 54.58 54.76 2aqe n ASN 24 Cb 0.46 -1.09 0.37 0.00 -0.53 0.00 0.00 39.78 38.99 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 -0.63 0.65 0.79 1.20 3.07 -1.93 0.99 114.58 118.72 2aqe h GLU 25 Ca -0.44 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.34 2aqe h GLU 25 Cb 1.34 -0.15 0.01 0.00 -0.84 0.00 0.00 28.75 29.11 2aqe h GLU 25 CO 0.38 0.43 -0.38 0.87 -1.40 0.00 0.00 179.01 178.91 2aqe h LYS 26 N 0.67 -1.02 -0.20 2.33 6.56 -2.02 -2.38 116.57 120.51 2aqe h LYS 26 Ca 0.59 0.07 0.04 0.00 -1.06 0.00 0.00 60.65 60.29 2aqe h LYS 26 Cb 1.04 0.23 -0.01 0.00 -0.57 0.00 0.00 32.23 32.92 2aqe h LYS 26 CO -0.38 -0.68 0.14 0.93 -2.06 0.00 0.00 179.45 177.40 2aqe h GLU 27 N -1.08 0.07 -0.77 3.15 5.08 -1.65 -1.42 114.58 117.95 2aqe h GLU 27 Ca -0.11 -0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.41 2aqe h GLU 27 Cb 0.81 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.94 2aqe h GLU 27 CO 0.18 0.04 0.25 -0.22 -1.00 0.00 0.00 179.01 178.27 2aqe h LYS 28 N 0.07 0.34 -0.09 2.33 3.64 0.15 0.41 116.57 123.42 2aqe h LYS 28 Ca 0.09 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.28 2aqe h LYS 28 Cb 0.27 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2aqe h LYS 28 CO -0.01 0.22 -0.67 0.93 -2.27 0.00 0.00 179.45 177.65 2aqe h GLU 29 N 0.35 0.36 -0.96 1.90 5.08 -0.99 -2.67 114.58 117.64 2aqe h GLU 29 Ca 0.44 -0.27 0.14 0.00 -1.00 0.00 0.00 59.36 58.68 2aqe h GLU 29 Cb 0.75 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.96 2aqe h GLU 29 CO -0.48 0.90 0.58 1.25 -1.00 0.00 0.00 179.01 180.26 2aqe h LEU 30 N 0.25 0.80 0.02 1.33 5.85 0.09 -0.35 115.31 123.31 2aqe h LEU 30 Ca -0.02 0.07 -0.19 0.00 0.84 0.00 0.00 57.88 58.58 2aqe h LEU 30 Cb 1.22 -0.08 0.02 0.00 0.37 0.00 0.00 40.66 42.19 2aqe h LEU 30 CO 0.11 0.37 -0.75 0.00 -0.34 0.00 0.00 178.44 177.83 2aqe h GLN 32 N -0.01 0.11 0.13 0.00 4.20 -0.98 -2.40 115.11 116.15 2aqe h GLN 32 Ca -0.10 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 2aqe h GLN 32 Cb 1.46 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.22 2aqe h GLN 32 CO 0.15 0.07 -0.06 0.28 -0.67 0.00 0.00 178.83 178.60 2aqe h VAL 33 N 0.12 0.00 -1.20 -0.54 2.07 -1.08 -3.35 116.25 112.26 2aqe h VAL 33 Ca 0.21 -0.30 -0.71 0.00 0.82 0.00 0.00 66.70 66.73 2aqe h VAL 33 Cb 0.70 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.36 2aqe h VAL 33 CO -0.02 0.00 2.04 1.33 0.02 0.00 0.00 177.57 180.94 2aqe n VAL 34 N -3.30 4.02 -0.78 2.57 0.24 -1.04 -4.91 118.33 115.13 2aqe n VAL 34 Ca -0.02 -4.20 -0.15 0.00 -2.04 0.00 0.00 64.34 57.93 2aqe n VAL 34 Cb 0.07 -2.42 -0.11 0.00 -1.47 0.00 0.00 33.84 29.92 2aqe n VAL 34 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2aqe n ARG 35 N 6.98 0.00 -3.82 7.34 0.63 -0.93 -4.70 116.66 122.15 2aqe n ARG 35 Ca 0.45 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 57.22 2aqe n ARG 35 Cb 0.43 -0.61 -0.16 0.00 0.45 0.00 0.00 32.46 32.57 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 1.58 0.99 0.78 6.15 1.43 -1.21 -5.07 118.68 123.34 2aqe s LEU 36 Ca 0.69 0.02 -0.15 0.00 -1.03 0.00 0.00 54.13 53.66 2aqe s LEU 36 Cb -0.51 -0.14 -0.00 0.00 0.03 0.00 0.00 46.19 45.56 2aqe s LEU 36 CO 0.28 -0.13 0.64 1.33 0.23 0.00 0.00 176.35 178.70 2aqe n VAL 37 N 4.31 1.58 0.24 -1.59 0.24 -1.26 -4.75 118.33 117.11 2aqe n VAL 37 Ca -0.24 -0.33 -0.14 0.00 -2.04 0.00 0.00 64.34 61.59 2aqe n VAL 37 Cb 0.50 -0.82 -0.08 0.00 -1.47 0.00 0.00 33.84 31.97 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 -0.67 -0.60 -0.26 7.34 0.11 -1.93 -1.97 132.00 134.02 2aqe h PRO 38 Ca -0.45 0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.76 2aqe h PRO 38 Cb 1.33 0.14 -0.08 0.00 0.11 0.00 0.00 31.00 32.50 2aqe h PRO 38 CO 0.42 -0.30 -0.37 0.78 -0.21 0.00 0.00 178.00 178.32 2aqe h GLY 39 N -0.88 -0.49 0.44 -0.55 0.00 -1.91 0.51 103.07 100.19 2aqe h GLY 39 Ca -0.06 0.47 0.02 0.00 0.00 0.00 0.00 47.33 47.75 2aqe h GLY 39 CO 0.10 -0.21 -0.32 0.00 0.00 0.00 0.00 176.54 176.11 2aqe h ALA 40 N 0.43 -0.56 -0.54 3.60 0.00 -1.93 -1.17 119.26 119.09 2aqe h ALA 40 Ca 0.12 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.08 2aqe h ALA 40 Cb 0.57 0.53 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 2aqe h ALA 40 CO -0.46 -0.87 0.07 -0.92 0.00 0.00 0.00 179.25 177.06 2aqe h TYR 41 N -0.55 0.09 -0.63 0.00 5.03 -0.64 0.33 116.97 120.60 2aqe h TYR 41 Ca 0.03 0.04 0.17 0.00 2.58 0.00 0.00 58.73 61.54 2aqe h TYR 41 Cb 0.58 0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.87 2aqe h TYR 41 CO -0.29 -0.06 0.45 -0.07 -1.32 0.00 0.00 178.16 176.87 2aqe h LEU 42 N 0.19 0.07 0.32 2.82 3.38 0.78 -1.98 115.31 120.90 2aqe h LEU 42 Ca 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 2aqe h LEU 42 Cb 0.41 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2aqe h LEU 42 CO -0.40 0.04 -0.15 -0.08 0.09 0.00 0.00 178.44 177.93 2aqe h GLU 43 N 0.07 -0.42 -0.84 1.13 4.81 0.84 -2.74 114.58 117.44 2aqe h GLU 43 Ca 0.30 0.03 0.18 0.00 -0.13 0.00 0.00 59.36 59.75 2aqe h GLU 43 Cb 1.10 0.09 -0.11 0.00 0.63 0.00 0.00 28.75 30.47 2aqe h GLU 43 CO -0.03 -0.28 0.36 1.88 -0.73 0.00 0.00 179.01 180.22 2aqe h TYR 44 N -0.79 0.60 -0.34 0.92 0.05 -1.19 0.10 116.97 116.32 2aqe h TYR 44 Ca -0.04 0.04 0.06 0.00 0.05 0.00 0.00 58.73 58.83 2aqe h TYR 44 Cb 0.33 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 37.88 2aqe h TYR 44 CO 0.04 0.02 0.00 -0.22 -1.05 0.00 0.00 178.16 176.94 2aqe h LYS 45 N 0.44 0.09 0.00 4.88 3.64 -1.43 0.19 116.57 124.39 2aqe h LYS 45 Ca 0.50 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.86 2aqe h LYS 45 Cb 0.85 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2aqe h LYS 45 CO -0.47 0.06 -0.06 0.77 -2.27 0.00 0.00 179.45 177.48 2aqe h SER 46 N 0.10 0.00 0.55 4.20 0.02 -0.53 -0.95 113.55 116.95 2aqe h SER 46 Ca 0.16 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.01 2aqe h SER 46 Cb 0.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2aqe h SER 46 CO -0.27 0.06 -0.49 0.00 -1.14 0.00 0.00 176.83 174.99 2aqe h ALA 47 N 1.94 1.13 -0.01 3.77 0.00 0.59 -2.19 119.26 124.49 2aqe h ALA 47 Ca -0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2aqe h ALA 47 Cb 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2aqe h ALA 47 CO 0.01 0.61 -0.06 -0.07 0.00 0.00 0.00 179.25 179.73 2aqe h LEU 48 N 0.00 0.07 -1.88 0.00 3.38 -0.42 0.60 115.31 117.07 2aqe h LEU 48 Ca -0.00 -0.69 -0.00 0.00 0.09 0.00 0.00 57.88 57.27 2aqe h LEU 48 Cb 0.89 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2aqe h LEU 48 CO 0.06 0.75 0.04 -0.07 0.09 0.00 0.00 178.44 179.32 2aqe h LEU 49 N -0.60 0.10 0.00 1.67 -0.00 -1.48 0.71 115.31 115.71 2aqe h LEU 49 Ca -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2aqe h LEU 49 Cb 0.76 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 2aqe h LEU 49 CO 0.01 0.09 -0.12 -1.13 -0.00 0.00 0.00 178.44 177.30 2aqe h ASN 50 N 0.12 0.00 -0.21 -0.43 -0.73 -1.37 -2.43 115.58 110.53 2aqe h ASN 50 Ca 0.03 0.00 0.06 0.00 1.87 0.00 0.00 56.30 58.26 2aqe h ASN 50 Cb 0.02 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.60 2aqe h ASN 50 CO -0.00 0.48 0.23 -0.08 -0.37 0.00 0.00 177.43 177.68 2aqe h GLU 51 N -0.84 0.00 0.20 6.67 4.57 -0.88 -1.30 114.58 123.00 2aqe h GLU 51 Ca 0.00 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.88 2aqe h GLU 51 Cb 0.12 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.73 2aqe h GLU 51 CO 0.00 0.00 -1.40 0.00 -1.18 0.00 0.00 179.01 176.43 2aqe h HIS 53 N -0.02 0.00 0.37 0.00 -0.00 -0.74 1.21 115.15 115.97 2aqe h HIS 53 Ca -0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.09 2aqe h HIS 53 Cb 2.01 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.42 2aqe h HIS 53 CO 0.14 0.15 -0.18 -0.22 -0.00 0.00 0.00 177.93 177.82 2aqe h LYS 54 N 0.00 -0.48 0.00 5.26 1.63 -1.43 -3.31 116.57 118.24 2aqe h LYS 54 Ca -0.00 0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.76 2aqe h LYS 54 Cb 0.29 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 2aqe h LYS 54 CO 0.02 -0.23 -0.33 1.96 -3.45 0.00 0.00 179.45 177.42 2aqe h GLN 55 N -1.06 0.00 0.00 1.90 1.08 -1.52 -3.49 115.11 112.02 2aqe h GLN 55 Ca -0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2aqe h GLN 55 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 2aqe h GLN 55 CO 0.08 0.33 0.00 0.41 -0.95 0.00 0.00 178.83 178.71 2aqe n GLY 56 N 1.15 2.14 3.85 3.46 0.00 0.42 -4.98 105.19 111.23 2aqe n GLY 56 Ca 0.03 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 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 2.11 -0.33 -0.02 0.00 -1.26 -4.50 107.32 103.33 2aqe s GLY 57 Ca 0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 44.72 43.82 2aqe s GLY 57 CO 0.00 -0.83 0.16 1.08 0.00 0.00 0.00 173.10 173.51 2aqe s LEU 58 N -2.24 1.13 0.90 0.66 1.43 -1.16 -4.88 118.68 114.51 2aqe s LEU 58 Ca 0.30 -1.78 -0.15 0.00 -1.03 0.00 0.00 54.13 51.47 2aqe s LEU 58 Cb -0.13 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.55 2aqe s LEU 58 CO 0.22 -0.37 0.04 -1.14 0.23 0.00 0.00 176.35 175.33 2aqe n ARG 59 N 4.61 -0.08 0.20 1.70 0.63 -0.38 -3.92 116.66 119.40 2aqe n ARG 59 Ca 0.02 0.01 0.14 0.00 -0.92 0.00 0.00 57.85 57.10 2aqe n ARG 59 Cb 0.40 -1.55 0.47 0.00 0.45 0.00 0.00 32.46 32.22 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 -1.10 0.00 0.35 6.15 5.85 -1.88 -2.78 115.31 121.91 2aqe h LEU 60 Ca -0.44 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 2aqe h LEU 60 Cb 1.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.34 2aqe h LEU 60 CO 0.33 0.00 -0.17 0.00 -0.34 0.00 0.00 178.44 178.26 2aqe h ALA 61 N 2.17 -0.47 -0.52 1.25 0.00 -1.97 -2.56 119.26 117.16 2aqe h ALA 61 Ca 0.00 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 54.95 2aqe h ALA 61 Cb 0.62 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2aqe h ALA 61 CO 0.00 -0.45 0.46 1.96 0.00 0.00 0.00 179.25 181.23 2aqe h GLN 62 N -1.12 0.00 -0.09 0.00 1.08 -1.92 0.89 115.11 113.95 2aqe h GLN 62 Ca -0.05 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 2aqe h GLN 62 Cb 0.39 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.81 2aqe h GLN 62 CO 0.08 0.00 0.03 0.00 -0.95 0.00 0.00 178.83 177.99 2aqe h ALA 63 N 1.56 0.12 -0.83 3.87 0.00 -1.38 0.70 119.26 123.29 2aqe h ALA 63 Ca 0.25 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.18 2aqe h ALA 63 Cb 1.17 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 2aqe h ALA 63 CO -0.00 -0.28 0.54 0.00 0.00 0.00 0.00 179.25 179.51 2aqe h ARG 64 N -0.03 0.62 -0.14 0.00 -0.00 -0.40 0.38 114.38 114.82 2aqe h ARG 64 Ca 0.03 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.47 2aqe h ARG 64 Cb 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 29.97 30.02 2aqe h ARG 64 CO -0.00 0.41 0.00 0.00 0.00 0.00 0.00 179.97 180.38 2aqe n ALA 65 N -2.46 2.53 -0.52 0.04 0.00 -0.92 -4.52 120.51 114.66 2aqe n ALA 65 Ca 0.16 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2aqe n ALA 65 Cb 0.44 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 0.33 0.74 0.00 0.00 -0.00 0.13 -5.03 117.00 113.17 2aqe n LEU 66 Ca 0.17 0.11 -0.04 0.00 -0.00 0.00 0.00 56.01 56.25 2aqe n LEU 66 Cb 0.34 -0.24 0.02 0.00 -0.00 0.00 0.00 43.42 43.54 2aqe n LEU 66 CO 0.14 -0.24 0.09 2.30 -0.00 0.00 0.00 177.39 179.68 2aqe n ILE 67 N -1.62 0.00 -0.07 1.96 -5.35 -1.18 -5.00 119.36 108.09 2aqe n ILE 67 Ca 0.00 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 2aqe n ILE 67 Cb 0.00 -1.26 0.00 0.00 -1.74 0.00 0.00 39.64 36.64 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 -1.30 0.00 0.00 6.28 4.76 -1.26 -4.71 118.16 121.93 2aqe n LYS 68 Ca 0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 2aqe n LYS 68 Cb 0.10 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.29 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 -2.55 -0.18 -0.00 -1.26 -5.04 119.36 110.32 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 -0.72 0.00 0.00 -0.00 0.00 0.00 39.64 38.92 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 -2.05 0.88 -0.11 7.28 9.92 -1.26 -5.02 116.55 126.18 2aqe n ASP 70 Ca 0.00 -0.11 -0.21 0.00 -0.53 0.00 0.00 54.79 53.94 2aqe n ASP 70 Cb 0.45 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.84 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 -0.06 1.20 0.12 2.53 3.14 -1.26 -3.97 118.33 120.03 2aqe n VAL 71 Ca 0.00 -0.35 0.19 0.00 -2.96 0.00 0.00 64.34 61.21 2aqe n VAL 71 Cb 0.00 -1.61 0.77 0.00 -1.06 0.00 0.00 33.84 31.93 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 -0.53 0.00 0.38 6.55 -0.73 -1.98 1.43 115.58 120.69 2aqe h ASN 72 Ca -0.53 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 57.62 2aqe h ASN 72 Cb 1.56 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.16 2aqe h ASN 72 CO -0.25 0.00 -0.18 0.11 -0.37 0.00 0.00 177.43 176.73 2aqe h LYS 73 N 0.00 -0.49 -0.17 6.67 6.56 -1.98 -2.74 116.57 124.42 2aqe h LYS 73 Ca 0.16 0.03 -0.05 0.00 -1.06 0.00 0.00 60.65 59.73 2aqe h LYS 73 Cb 0.81 0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 32.58 2aqe h LYS 73 CO -0.00 -0.33 -0.09 1.15 -2.06 0.00 0.00 179.45 178.12 2aqe h THR 74 N -0.83 1.31 -1.02 -0.16 2.02 -1.56 -2.76 112.91 109.91 2aqe h THR 74 Ca -0.05 -1.15 0.29 0.00 0.77 0.00 0.00 66.41 66.27 2aqe h THR 74 Cb 0.39 1.71 -0.13 0.00 -1.74 0.00 0.00 68.15 68.38 2aqe h THR 74 CO 0.09 0.34 0.61 -0.09 0.37 0.00 0.00 175.52 176.83 2aqe h ARG 75 N 0.04 0.41 0.10 6.66 2.43 0.18 0.38 114.38 124.57 2aqe h ARG 75 Ca 0.04 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.02 2aqe h ARG 75 Cb 0.57 -0.09 0.02 0.00 -0.42 0.00 0.00 29.97 30.05 2aqe h ARG 75 CO 0.03 0.27 -0.70 0.87 -1.51 0.00 0.00 179.97 178.93 2aqe h LYS 76 N 0.42 0.31 0.69 0.20 1.57 -1.41 -1.53 116.57 116.83 2aqe h LYS 76 Ca 0.69 -0.46 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 2aqe h LYS 76 Cb 1.52 0.16 0.01 0.00 0.08 0.00 0.00 32.23 34.00 2aqe h LYS 76 CO -0.51 1.19 -0.33 0.82 -0.57 0.00 0.00 179.45 180.04 2aqe h ILE 77 N -0.34 0.22 -0.64 1.86 2.04 -0.93 -2.68 117.51 117.02 2aqe h ILE 77 Ca -0.12 -0.20 0.10 0.00 1.00 0.00 0.00 64.86 65.64 2aqe h ILE 77 Cb 1.51 0.27 -0.07 0.00 -0.74 0.00 0.00 36.82 37.78 2aqe h ILE 77 CO 0.13 0.02 0.26 0.22 0.00 0.00 0.00 178.15 178.78 2aqe h TYR 78 N -1.09 0.45 -0.62 1.37 5.03 -0.45 -1.65 116.97 120.01 2aqe h TYR 78 Ca -0.09 0.03 0.13 0.00 2.58 0.00 0.00 58.73 61.37 2aqe h TYR 78 Cb 0.74 -0.10 -0.10 0.00 1.55 0.00 0.00 36.73 38.82 2aqe h TYR 78 CO -0.00 0.11 0.01 -0.44 -1.32 0.00 0.00 178.16 176.52 2aqe h ASP 79 N 0.44 -0.26 0.28 -2.11 3.32 -1.17 0.34 116.42 117.27 2aqe h ASP 79 Ca 0.33 0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.53 2aqe h ASP 79 Cb 0.41 0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 2aqe h ASP 79 CO -0.31 -0.11 -0.23 0.15 -1.72 0.00 0.00 179.24 177.02 2aqe h PHE 80 N 0.12 -0.61 -0.70 4.55 3.57 -0.96 -0.33 116.94 122.58 2aqe h PHE 80 Ca 0.33 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.80 2aqe h PHE 80 Cb 0.53 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 2aqe h PHE 80 CO -0.36 -0.35 0.34 -0.07 -2.23 0.00 0.00 178.31 175.65 2aqe h LEU 81 N -0.53 0.92 0.00 0.59 3.38 -1.10 -0.34 115.31 118.24 2aqe h LEU 81 Ca -0.02 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2aqe h LEU 81 Cb 0.47 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2aqe h LEU 81 CO -0.02 0.79 0.00 -0.38 0.09 0.00 0.00 178.44 178.92 2aqe n ILE 82 N -4.44 0.00 -0.16 1.22 2.08 0.11 -2.61 119.36 115.56 2aqe n ILE 82 Ca 0.06 1.48 0.27 0.00 0.56 0.00 0.00 62.75 65.12 2aqe n ILE 82 Cb 0.13 -2.46 0.71 0.00 -0.75 0.00 0.00 39.64 37.26 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 0.03 0.00 0.38 -0.00 -1.11 -3.42 114.38 110.26 2aqe h ARG 83 Ca 0.00 -0.00 -0.33 0.00 -0.50 0.00 0.00 59.98 59.15 2aqe h ARG 83 Cb 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 29.97 30.04 2aqe h ARG 83 CO 0.00 0.02 0.12 0.39 0.00 0.00 0.00 179.97 180.50 2aqe n GLU 84 N -4.30 -0.08 -2.08 0.04 -0.58 -0.14 -4.97 120.64 108.54 2aqe n GLU 84 Ca 0.18 -1.89 -0.40 0.00 -0.42 0.00 0.00 57.16 54.62 2aqe n GLU 84 Cb 0.90 -0.57 -0.00 0.00 -0.57 0.00 0.00 31.44 31.20 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 -0.68 5.17 0.98 0.62 0.00 -1.26 -4.41 105.19 105.61 2aqe n GLY 85 Ca 0.12 -2.08 -0.01 0.00 0.00 0.00 0.00 46.02 44.05 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 2.02 0.00 -3.08 1.61 4.01 -1.08 -5.10 117.16 115.54 2aqe n TYR 86 Ca 0.58 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.32 2aqe n TYR 86 Cb 0.27 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 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 -3.09 0.00 -4.15 -0.72 -5.35 -1.14 -4.92 119.36 99.99 2aqe n ILE 87 Ca -0.01 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.37 2aqe n ILE 87 Cb 0.45 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.32 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 0.00 7.28 -2.24 -1.26 -4.67 114.28 113.39 2aqe n THR 88 Ca 0.00 -1.07 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 2aqe n THR 88 Cb 0.00 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 -0.31 0.00 -0.32 -0.78 2.85 -1.25 -3.00 118.16 115.34 2aqe n LYS 89 Ca 0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 2aqe n LYS 89 Cb 0.27 -0.42 0.00 0.00 -0.65 0.00 0.00 35.03 34.23 2aqe n LYS 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35