#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 -1.04 0.00 1.61 0.15 -1.26 -5.01 113.70 108.15 2aqe s SER 2 Ca 0.00 1.51 0.00 0.00 0.70 0.00 0.00 55.95 58.16 2aqe s SER 2 Cb 0.00 1.93 0.00 0.00 -1.71 0.00 0.00 66.02 66.24 2aqe s SER 2 CO 0.00 -0.22 0.00 0.59 1.20 0.00 0.00 173.24 174.81 2aqe n ASN 3 N 4.99 0.00 -4.12 5.45 3.02 -1.26 -5.10 115.26 118.24 2aqe n ASN 3 Ca -0.15 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.15 2aqe n ASN 3 Cb 0.53 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.54 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 -3.36 2.07 0.00 6.41 1.04 -1.26 -4.99 113.70 113.61 2aqe s SER 4 Ca 0.00 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2aqe s SER 4 Cb 0.00 -0.59 0.00 0.00 0.10 0.00 0.00 66.02 65.53 2aqe s SER 4 CO 0.00 0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.97 2aqe n GLY 5 N 3.19 0.00 3.44 7.32 0.00 -1.26 -4.82 105.19 113.06 2aqe n GLY 5 Ca -0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 2aqe n GLY 5 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2aqe s ARG 6 N 0.00 0.97 -0.15 1.61 6.06 -1.26 -4.53 118.95 121.65 2aqe s ARG 6 Ca 0.00 0.09 -0.06 0.00 -2.50 0.00 0.00 55.73 53.26 2aqe s ARG 6 Cb 0.00 0.45 0.02 0.00 0.06 0.00 0.00 34.95 35.48 2aqe s ARG 6 CO 0.00 -0.30 0.12 -2.13 -2.50 0.00 0.00 175.30 170.49 2aqe n ARG 7 N 0.93 -3.16 0.00 5.12 0.63 -1.26 -5.02 116.66 113.89 2aqe n ARG 7 Ca -0.20 2.53 0.00 0.00 -0.92 0.00 0.00 57.85 59.27 2aqe n ARG 7 Cb 0.57 -3.69 0.00 0.00 0.45 0.00 0.00 32.46 29.80 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 1.68 1.05 -4.18 6.15 2.88 -1.26 -5.15 113.62 114.79 2aqe n SER 8 Ca -0.20 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 56.99 2aqe n SER 8 Cb 0.36 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 63.94 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 -3.00 -4.64 -1.42 -1.46 0.00 -1.26 -4.57 120.51 104.16 2aqe n ALA 9 Ca 0.00 -1.22 -0.49 0.00 0.00 0.00 0.00 53.44 51.73 2aqe n ALA 9 Cb 0.00 -1.29 -0.10 0.00 0.00 0.00 0.00 19.45 18.06 2aqe n ALA 9 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2aqe n PRO 10 N -0.29 0.57 -2.28 0.00 -0.02 -1.26 -4.84 135.00 126.88 2aqe n PRO 10 Ca 0.00 0.12 -0.43 0.00 -2.02 0.00 0.00 63.50 61.17 2aqe n PRO 10 Cb 0.65 -2.12 -0.02 0.00 -0.02 0.00 0.00 33.50 31.99 2aqe n PRO 10 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2aqe s PRO 11 N 7.00 3.84 0.00 0.52 0.04 -1.26 -4.93 135.00 140.22 2aqe s PRO 11 Ca 1.17 1.43 0.00 0.00 0.04 0.00 0.00 61.00 63.63 2aqe s PRO 11 Cb -1.03 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 29.55 2aqe s PRO 11 CO 0.51 -1.22 0.00 1.28 0.04 0.00 0.00 177.00 177.61 2aqe n LEU 12 N 8.06 1.33 -0.40 -3.56 4.32 -1.26 -4.91 117.00 120.58 2aqe n LEU 12 Ca 0.17 0.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.19 2aqe n LEU 12 Cb 0.46 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 2aqe n LEU 12 CO 0.64 -0.07 0.24 -3.20 -1.22 0.00 0.00 177.39 173.78 2aqe n ASN 13 N -1.16 0.00 -0.00 -1.43 5.15 -1.26 -4.84 115.26 111.71 2aqe n ASN 13 Ca 0.00 -1.62 0.07 0.00 -0.60 0.00 0.00 54.58 52.43 2aqe n ASN 13 Cb 0.00 -0.12 -0.10 0.00 -0.53 0.00 0.00 39.78 39.02 2aqe n ASN 13 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2aqe n LEU 14 N 0.00 0.21 -4.85 1.20 7.94 -1.26 -4.66 117.00 115.59 2aqe n LEU 14 Ca 0.00 -0.16 -0.31 0.00 -1.11 0.00 0.00 56.01 54.44 2aqe n LEU 14 Cb 0.62 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.62 2aqe n LEU 14 CO 0.00 0.05 0.72 0.28 -1.11 0.00 0.00 177.39 177.33 2aqe s THR 15 N -2.80 4.01 -1.99 1.96 -1.32 -1.26 -3.53 115.64 110.71 2aqe s THR 15 Ca -0.02 0.65 0.00 0.00 -1.21 0.00 0.00 61.69 61.11 2aqe s THR 15 Cb 0.10 -3.53 0.00 0.00 -1.51 0.00 0.00 72.50 67.56 2aqe s THR 15 CO 0.60 -0.85 0.00 0.61 -2.21 0.00 0.00 174.62 172.77 2aqe n GLY 16 N -2.46 1.81 3.12 6.08 0.00 -1.26 -4.95 105.19 107.52 2aqe n GLY 16 Ca 0.07 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.27 2.32 0.73 0.99 1.43 -1.23 -5.15 118.68 113.51 2aqe s LEU 17 Ca 0.00 -0.67 -0.11 0.00 -1.03 0.00 0.00 54.13 52.32 2aqe s LEU 17 Cb 0.00 -0.24 0.03 0.00 0.03 0.00 0.00 46.19 46.01 2aqe s LEU 17 CO 0.00 -0.22 1.08 -2.16 0.23 0.00 0.00 176.35 175.28 2aqe s PRO 18 N -2.10 2.64 0.00 1.29 0.04 -1.26 -3.83 135.00 131.77 2aqe s PRO 18 Ca -0.03 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.72 2aqe s PRO 18 Cb -0.07 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2aqe s PRO 18 CO 0.00 -1.25 0.00 0.41 0.04 0.00 0.00 177.00 176.20 2aqe n GLY 19 N -2.31 2.17 0.42 0.56 0.00 -1.26 -3.83 105.19 100.95 2aqe n GLY 19 Ca 0.07 -0.44 0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 0.51 0.00 2.61 2.02 -1.83 0.96 112.91 117.18 2aqe h THR 20 Ca 0.00 -0.11 -0.11 0.00 0.77 0.00 0.00 66.41 66.96 2aqe h THR 20 Cb 0.00 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.54 2aqe h THR 20 CO 0.00 0.06 -0.52 -0.33 0.37 0.00 0.00 175.52 175.10 2aqe h GLU 21 N 0.33 0.00 0.00 6.66 5.08 -1.86 -2.90 114.58 121.89 2aqe h GLU 21 Ca 0.59 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.91 2aqe h GLU 21 Cb 1.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.86 2aqe h GLU 21 CO -0.25 0.52 -0.17 0.87 -1.00 0.00 0.00 179.01 178.98 2aqe h LYS 22 N 0.00 0.00 -6.36 2.33 1.79 0.55 -3.43 116.57 111.44 2aqe h LYS 22 Ca -0.01 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 2aqe h LYS 22 Cb 1.13 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.76 2aqe h LYS 22 CO 0.07 0.17 0.67 -0.51 -1.08 0.00 0.00 179.45 178.77 2aqe s LEU 23 N -6.44 4.31 1.08 2.94 1.43 -0.64 -4.99 118.68 116.36 2aqe s LEU 23 Ca 0.03 1.89 -0.18 0.00 -1.03 0.00 0.00 54.13 54.83 2aqe s LEU 23 Cb 0.08 -3.56 0.06 0.00 0.03 0.00 0.00 46.19 42.79 2aqe s LEU 23 CO 0.65 -0.56 -0.11 -3.20 0.23 0.00 0.00 176.35 173.36 2aqe n ASN 24 N 4.88 -2.50 0.33 2.29 5.15 -1.26 -4.32 115.26 119.84 2aqe n ASN 24 Ca 0.11 -0.02 0.21 0.00 -0.60 0.00 0.00 54.58 54.28 2aqe n ASN 24 Cb 0.46 -0.95 1.15 0.00 -0.53 0.00 0.00 39.78 39.91 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 -1.84 0.00 0.13 1.20 4.39 -1.94 -0.88 114.58 115.64 2aqe h GLU 25 Ca -0.50 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 58.89 2aqe h GLU 25 Cb 1.35 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.99 2aqe h GLU 25 CO 0.35 0.00 -1.63 0.87 -1.16 0.00 0.00 179.01 177.45 2aqe h LYS 26 N 0.00 0.27 0.00 2.33 1.57 -2.02 -3.35 116.57 115.37 2aqe h LYS 26 Ca 0.00 -0.46 -0.06 0.00 -1.87 0.00 0.00 60.65 58.26 2aqe h LYS 26 Cb 0.09 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2aqe h LYS 26 CO -0.00 1.22 -0.31 0.93 -0.57 0.00 0.00 179.45 180.72 2aqe h GLU 27 N -0.17 0.00 -0.72 3.15 5.08 -1.72 -2.28 114.58 117.93 2aqe h GLU 27 Ca -0.35 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.08 2aqe h GLU 27 Cb 1.87 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 31.06 2aqe h GLU 27 CO 0.07 0.31 0.40 0.87 -1.00 0.00 0.00 179.01 179.66 2aqe h LYS 28 N 0.00 0.69 0.00 2.33 1.57 -1.31 0.84 116.57 120.69 2aqe h LYS 28 Ca -0.00 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 2aqe h LYS 28 Cb 0.89 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 2aqe h LYS 28 CO 0.04 0.45 -0.73 1.49 -0.57 0.00 0.00 179.45 180.14 2aqe h GLU 29 N 0.71 0.00 -0.98 3.15 4.22 -1.66 -2.44 114.58 117.58 2aqe h GLU 29 Ca 0.33 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.82 2aqe h GLU 29 Cb 0.25 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 2aqe h GLU 29 CO -0.21 0.73 0.64 1.25 -2.18 0.00 0.00 179.01 179.24 2aqe h LEU 30 N 0.00 1.05 -0.08 1.64 5.85 -0.33 0.15 115.31 123.59 2aqe h LEU 30 Ca -0.01 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.50 2aqe h LEU 30 Cb 1.32 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 2aqe h LEU 30 CO 0.09 0.71 -0.98 0.00 -0.34 0.00 0.00 178.44 177.92 2aqe h GLN 32 N 0.02 0.42 0.57 0.00 4.20 -0.78 -2.57 115.11 116.96 2aqe h GLN 32 Ca -0.03 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.48 2aqe h GLN 32 Cb 1.71 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 29.48 2aqe h GLN 32 CO 0.14 0.70 -0.27 0.28 -0.67 0.00 0.00 178.83 179.00 2aqe h VAL 33 N 0.36 0.04 -2.06 -0.54 2.07 -0.74 -3.30 116.25 112.08 2aqe h VAL 33 Ca 0.04 -0.44 -0.75 0.00 0.82 0.00 0.00 66.70 66.38 2aqe h VAL 33 Cb 0.75 0.06 -0.18 0.00 -1.52 0.00 0.00 31.29 30.40 2aqe h VAL 33 CO 0.06 0.01 1.47 1.33 0.02 0.00 0.00 177.57 180.45 2aqe n VAL 34 N -5.29 4.32 -0.87 2.57 0.24 -1.08 -4.94 118.33 113.28 2aqe n VAL 34 Ca -0.10 -4.71 -0.15 0.00 -2.04 0.00 0.00 64.34 57.34 2aqe n VAL 34 Cb 0.31 -2.44 -0.12 0.00 -1.47 0.00 0.00 33.84 30.12 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 4.98 0.00 0.00 7.34 -4.01 -0.98 -4.71 116.66 119.27 2aqe n ARG 35 Ca 0.37 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.18 2aqe n ARG 35 Cb 0.41 -0.65 0.00 0.00 -3.04 0.00 0.00 32.46 29.18 2aqe n ARG 35 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 2aqe n LEU 36 N 3.88 0.00 -4.27 2.89 7.94 -1.13 -4.91 117.00 121.40 2aqe n LEU 36 Ca 0.39 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 55.04 2aqe n LEU 36 Cb 0.07 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 43.88 2aqe n LEU 36 CO 0.61 0.00 -0.52 0.54 -1.11 0.00 0.00 177.39 176.91 2aqe s VAL 37 N 1.33 1.71 -0.03 1.96 0.11 -1.26 -4.19 120.40 120.02 2aqe s VAL 37 Ca 0.00 -1.41 -0.08 0.00 -2.93 0.00 0.00 61.98 57.56 2aqe s VAL 37 Cb 0.00 -1.52 -0.04 0.00 -1.53 0.00 0.00 36.38 33.28 2aqe s VAL 37 CO 0.00 0.05 0.46 -0.65 -3.33 0.00 0.00 175.10 171.63 2aqe h PRO 38 N 4.39 -0.27 0.33 1.54 0.11 -1.86 -2.20 132.00 134.04 2aqe h PRO 38 Ca -0.45 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2aqe h PRO 38 Cb 1.17 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 2aqe h PRO 38 CO 0.41 -0.18 -0.38 0.78 -0.21 0.00 0.00 178.00 178.42 2aqe h GLY 39 N -0.66 -0.87 0.21 -0.55 0.00 -1.90 0.24 103.07 99.54 2aqe h GLY 39 Ca -0.03 0.44 0.14 0.00 0.00 0.00 0.00 47.33 47.89 2aqe h GLY 39 CO 0.05 -0.30 0.38 0.00 0.00 0.00 0.00 176.54 176.66 2aqe h ALA 40 N -0.31 1.18 -0.80 3.60 0.00 -1.95 0.81 119.26 121.78 2aqe h ALA 40 Ca -0.02 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2aqe h ALA 40 Cb 0.69 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 2aqe h ALA 40 CO -0.10 -0.14 0.53 -0.92 0.00 0.00 0.00 179.25 178.63 2aqe h TYR 41 N 0.55 0.94 -0.09 0.00 5.03 -0.69 0.30 116.97 123.01 2aqe h TYR 41 Ca 0.44 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.80 2aqe h TYR 41 Cb 0.63 -0.32 -0.00 0.00 1.55 0.00 0.00 36.73 38.59 2aqe h TYR 41 CO -0.12 0.54 0.08 1.25 -1.32 0.00 0.00 178.16 178.59 2aqe h LEU 42 N 0.97 0.00 0.14 2.82 5.85 0.40 -1.35 115.31 124.15 2aqe h LEU 42 Ca 0.32 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 2aqe h LEU 42 Cb 0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2aqe h LEU 42 CO -0.10 0.00 -0.07 -0.08 -0.34 0.00 0.00 178.44 177.85 2aqe h GLU 43 N 0.00 -0.19 -0.53 1.25 4.81 0.54 -2.33 114.58 118.13 2aqe h GLU 43 Ca 0.04 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.39 2aqe h GLU 43 Cb 0.20 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.53 2aqe h GLU 43 CO -0.00 -0.13 -0.05 1.88 -0.73 0.00 0.00 179.01 179.99 2aqe h TYR 44 N -0.90 -0.12 -0.86 0.92 0.05 -1.29 0.16 116.97 114.92 2aqe h TYR 44 Ca -0.02 0.04 0.05 0.00 0.05 0.00 0.00 58.73 58.85 2aqe h TYR 44 Cb 0.15 0.14 -0.06 0.00 1.01 0.00 0.00 36.73 37.97 2aqe h TYR 44 CO 0.01 -0.17 0.54 -0.22 -1.05 0.00 0.00 178.16 177.27 2aqe h LYS 45 N 0.07 0.99 -0.17 4.88 3.64 -1.38 0.15 116.57 124.75 2aqe h LYS 45 Ca 0.27 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 2aqe h LYS 45 Cb 0.41 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2aqe h LYS 45 CO -0.48 0.66 0.09 0.77 -2.27 0.00 0.00 179.45 178.21 2aqe h SER 46 N 1.02 0.22 0.34 4.20 0.02 -0.22 -2.17 113.55 116.96 2aqe h SER 46 Ca 0.36 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 61.16 2aqe h SER 46 Cb 0.09 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2aqe h SER 46 CO -0.15 0.27 -0.21 0.00 -1.14 0.00 0.00 176.83 175.60 2aqe h ALA 47 N 0.96 1.42 0.73 3.77 0.00 -0.30 -2.57 119.26 123.26 2aqe h ALA 47 Ca 0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2aqe h ALA 47 Cb 0.10 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.87 2aqe h ALA 47 CO -0.01 0.26 -0.35 -0.07 0.00 0.00 0.00 179.25 179.08 2aqe h LEU 48 N 0.00 -0.83 -1.76 0.00 3.38 -0.12 0.12 115.31 116.11 2aqe h LEU 48 Ca -0.00 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.10 2aqe h LEU 48 Cb 0.44 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 2aqe h LEU 48 CO 0.03 -0.46 0.36 0.25 0.09 0.00 0.00 178.44 178.71 2aqe h LEU 49 N -1.25 0.25 0.18 1.67 5.85 -1.40 -0.44 115.31 120.17 2aqe h LEU 49 Ca -0.10 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2aqe h LEU 49 Cb 0.75 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2aqe h LEU 49 CO 0.16 0.15 -0.09 -1.13 -0.34 0.00 0.00 178.44 177.20 2aqe h ASN 50 N 0.27 -0.20 -0.79 1.25 -1.24 -1.35 -1.71 115.58 111.82 2aqe h ASN 50 Ca 0.25 0.01 0.20 0.00 0.71 0.00 0.00 56.30 57.46 2aqe h ASN 50 Cb 0.61 0.05 -0.04 0.00 0.73 0.00 0.00 38.32 39.67 2aqe h ASN 50 CO -0.05 0.13 0.54 -0.08 -1.29 0.00 0.00 177.43 176.68 2aqe h GLU 51 N -0.80 0.20 0.00 6.67 4.81 -0.64 0.15 114.58 124.98 2aqe h GLU 51 Ca -0.02 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.00 2aqe h GLU 51 Cb 0.18 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 2aqe h GLU 51 CO 0.04 0.13 -0.90 0.00 -0.73 0.00 0.00 179.01 177.55 2aqe h HIS 53 N 0.00 0.06 -0.21 0.00 3.86 0.27 0.74 115.15 119.87 2aqe h HIS 53 Ca -0.01 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 2aqe h HIS 53 Cb 1.59 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 30.04 2aqe h HIS 53 CO 0.00 0.43 0.05 0.87 0.86 0.00 0.00 177.93 180.14 2aqe h LYS 54 N 0.04 0.34 0.09 2.45 6.56 -1.44 -3.25 116.57 121.37 2aqe h LYS 54 Ca 0.00 -0.08 -0.31 0.00 -1.06 0.00 0.00 60.65 59.20 2aqe h LYS 54 Cb 0.70 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.30 2aqe h LYS 54 CO 0.05 0.47 -1.64 1.96 -2.06 0.00 0.00 179.45 178.23 2aqe h GLN 55 N 0.15 0.19 0.00 3.15 4.20 -1.61 -3.49 115.11 117.71 2aqe h GLN 55 Ca 0.06 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.44 2aqe h GLN 55 Cb 0.28 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2aqe h GLN 55 CO 0.00 1.00 0.00 0.41 -0.67 0.00 0.00 178.83 179.57 2aqe n GLY 56 N 1.70 3.24 3.22 3.46 0.00 0.26 -5.05 105.19 112.01 2aqe n GLY 56 Ca -0.19 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.02 -0.09 -0.02 0.00 -1.21 -4.51 107.32 101.47 2aqe s GLY 57 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 44.72 44.42 2aqe s GLY 57 CO 0.00 -0.46 0.17 -2.27 0.00 0.00 0.00 173.10 170.54 2aqe s LEU 58 N -2.32 0.12 1.13 0.66 2.96 0.48 -4.75 118.68 116.96 2aqe s LEU 58 Ca -0.02 0.37 -0.17 0.00 -0.22 0.00 0.00 54.13 54.08 2aqe s LEU 58 Cb 0.01 0.37 0.14 0.00 0.50 0.00 0.00 46.19 47.21 2aqe s LEU 58 CO -0.06 -0.22 0.21 -1.14 -1.32 0.00 0.00 176.35 173.83 2aqe n ARG 59 N 4.99 -1.72 0.08 1.98 0.63 0.19 -3.83 116.66 118.98 2aqe n ARG 59 Ca -0.11 -0.48 -0.22 0.00 -0.92 0.00 0.00 57.85 56.11 2aqe n ARG 59 Cb 0.50 -1.79 -0.15 0.00 0.45 0.00 0.00 32.46 31.47 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 -2.17 0.60 -0.05 6.15 5.85 -1.94 -3.23 115.31 120.52 2aqe h LEU 60 Ca -0.55 -0.93 0.04 0.00 0.84 0.00 0.00 57.88 57.28 2aqe h LEU 60 Cb 1.35 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 2aqe h LEU 60 CO 0.40 1.55 -0.30 0.00 -0.34 0.00 0.00 178.44 179.75 2aqe h ALA 61 N 0.09 -0.40 -0.87 1.25 0.00 -1.97 0.11 119.26 117.47 2aqe h ALA 61 Ca -0.21 0.00 0.22 0.00 0.00 0.00 0.00 54.91 54.92 2aqe h ALA 61 Cb 1.86 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 20.15 2aqe h ALA 61 CO 0.19 -0.80 0.60 1.96 0.00 0.00 0.00 179.25 181.19 2aqe h GLN 62 N -0.42 0.23 -0.51 0.00 4.20 -1.94 0.13 115.11 116.81 2aqe h GLN 62 Ca 0.07 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 2aqe h GLN 62 Cb 0.53 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 2aqe h GLN 62 CO -0.29 0.15 0.23 0.00 -0.67 0.00 0.00 178.83 178.26 2aqe h ALA 63 N 1.60 0.65 -0.41 3.87 0.00 -0.80 -0.08 119.26 124.09 2aqe h ALA 63 Ca 0.44 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.25 2aqe h ALA 63 Cb 1.34 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2aqe h ALA 63 CO -0.11 0.23 0.28 0.00 0.00 0.00 0.00 179.25 179.65 2aqe h ARG 64 N 0.67 0.45 -0.00 0.00 -0.00 -0.22 -0.07 114.38 115.21 2aqe h ARG 64 Ca 0.17 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.63 2aqe h ARG 64 Cb 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.01 2aqe h ARG 64 CO -0.02 0.30 -0.28 0.00 0.00 0.00 0.00 179.97 179.96 2aqe n ALA 65 N -2.49 3.04 -0.73 0.04 0.00 -0.76 -4.53 120.51 115.09 2aqe n ALA 65 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2aqe n ALA 65 Cb 0.14 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.40 1.05 0.00 0.00 7.94 -0.06 -5.02 117.00 119.51 2aqe n LEU 66 Ca 0.07 0.07 -0.06 0.00 -1.11 0.00 0.00 56.01 54.98 2aqe n LEU 66 Cb 0.33 -0.14 0.03 0.00 0.53 0.00 0.00 43.42 44.18 2aqe n LEU 66 CO 0.31 -0.14 0.15 2.30 -1.11 0.00 0.00 177.39 178.90 2aqe n ILE 67 N -1.36 0.00 -1.72 1.96 -5.35 -1.10 -4.96 119.36 106.83 2aqe n ILE 67 Ca 0.00 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 2aqe n ILE 67 Cb 0.00 -1.31 0.00 0.00 -1.74 0.00 0.00 39.64 36.59 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 -1.49 0.00 0.00 6.28 4.76 -1.26 -4.74 118.16 121.71 2aqe n LYS 68 Ca 0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2aqe n LYS 68 Cb 0.15 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.34 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 -2.62 -0.18 -0.00 -1.26 -5.03 119.36 110.27 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 -0.10 0.00 0.00 -0.00 0.00 0.00 39.64 39.54 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 -1.10 0.83 -0.13 7.28 9.92 -1.26 -4.96 116.55 127.12 2aqe n ASP 70 Ca 0.00 -0.21 -0.28 0.00 -0.53 0.00 0.00 54.79 53.77 2aqe n ASP 70 Cb 0.07 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.44 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 -0.12 1.53 0.25 2.53 3.14 -1.26 -4.03 118.33 120.37 2aqe n VAL 71 Ca 0.00 -0.36 0.18 0.00 -2.96 0.00 0.00 64.34 61.20 2aqe n VAL 71 Cb 0.00 -1.87 0.90 0.00 -1.06 0.00 0.00 33.84 31.81 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 -0.93 0.00 0.52 6.55 2.35 -1.98 1.27 115.58 123.35 2aqe h ASN 72 Ca -0.66 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.07 2aqe h ASN 72 Cb 1.60 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.98 2aqe h ASN 72 CO -0.38 0.00 -0.25 0.11 -1.65 0.00 0.00 177.43 175.26 2aqe h LYS 73 N 0.00 -0.67 -0.02 0.81 6.56 -1.99 -2.54 116.57 118.71 2aqe h LYS 73 Ca 0.06 0.05 -0.15 0.00 -1.06 0.00 0.00 60.65 59.54 2aqe h LYS 73 Cb 0.41 0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 32.20 2aqe h LYS 73 CO -0.00 -0.45 -0.67 1.15 -2.06 0.00 0.00 179.45 177.42 2aqe h THR 74 N -1.13 1.45 -0.71 -0.16 2.02 -1.60 -2.71 112.91 110.07 2aqe h THR 74 Ca -0.07 -2.21 0.08 0.00 0.77 0.00 0.00 66.41 64.97 2aqe h THR 74 Cb 0.53 2.18 -0.05 0.00 -1.74 0.00 0.00 68.15 69.08 2aqe h THR 74 CO 0.12 0.64 0.47 -0.09 0.37 0.00 0.00 175.52 177.03 2aqe h ARG 75 N 0.07 0.65 0.15 6.66 1.12 0.16 0.41 114.38 123.59 2aqe h ARG 75 Ca -0.01 -0.04 -0.28 0.00 -1.11 0.00 0.00 59.98 58.54 2aqe h ARG 75 Cb 1.19 -0.15 0.01 0.00 -0.01 0.00 0.00 29.97 31.01 2aqe h ARG 75 CO 0.09 0.43 -1.39 0.87 -3.11 0.00 0.00 179.97 176.87 2aqe h LYS 76 N 0.67 0.31 0.47 0.20 1.57 -1.35 -2.37 116.57 116.07 2aqe h LYS 76 Ca 0.32 -0.53 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 2aqe h LYS 76 Cb 0.37 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2aqe h LYS 76 CO -0.11 1.26 -0.23 0.82 -0.57 0.00 0.00 179.45 180.62 2aqe h ILE 77 N -0.19 0.47 -0.41 1.86 2.04 -1.15 -2.64 117.51 117.49 2aqe h ILE 77 Ca -0.28 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 2aqe h ILE 77 Cb 1.85 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 2aqe h ILE 77 CO 0.12 0.05 0.03 0.22 0.00 0.00 0.00 178.15 178.57 2aqe h TYR 78 N -0.86 0.76 -0.84 1.37 3.20 -0.37 -2.56 116.97 117.68 2aqe h TYR 78 Ca -0.06 -0.12 0.16 0.00 3.14 0.00 0.00 58.73 61.85 2aqe h TYR 78 Cb 0.58 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 2aqe h TYR 78 CO 0.00 0.76 0.55 0.22 -1.64 0.00 0.00 178.16 178.05 2aqe h ASP 79 N 0.55 0.47 0.57 -2.11 1.82 -1.46 0.43 116.42 116.70 2aqe h ASP 79 Ca 0.12 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.77 2aqe h ASP 79 Cb 0.44 -0.06 0.01 0.00 0.68 0.00 0.00 39.33 40.40 2aqe h ASP 79 CO 0.02 0.23 -0.27 0.15 -1.61 0.00 0.00 179.24 177.75 2aqe h PHE 80 N 0.49 -0.71 -0.58 0.28 3.57 -1.07 -0.47 116.94 118.44 2aqe h PHE 80 Ca 0.42 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.91 2aqe h PHE 80 Cb 0.90 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 2aqe h PHE 80 CO -0.00 -0.38 0.38 -0.07 -2.23 0.00 0.00 178.31 176.00 2aqe h LEU 81 N -1.04 0.68 0.13 0.59 3.38 -1.13 -0.86 115.31 117.05 2aqe h LEU 81 Ca -0.08 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2aqe h LEU 81 Cb 0.65 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2aqe h LEU 81 CO 0.13 0.50 -0.12 0.40 0.09 0.00 0.00 178.44 179.45 2aqe h ILE 82 N 0.79 0.00 -0.40 1.22 1.08 -0.15 -1.61 117.51 118.44 2aqe h ILE 82 Ca 0.21 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.80 2aqe h ILE 82 Cb -0.07 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 33.66 2aqe h ILE 82 CO -0.04 0.00 0.51 0.03 -0.69 0.00 0.00 178.15 177.95 2aqe h ARG 83 N -0.24 0.00 0.00 2.37 -0.00 -1.05 -3.41 114.38 112.04 2aqe h ARG 83 Ca -0.02 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.39 2aqe h ARG 83 Cb 0.21 0.00 0.02 0.00 0.00 0.00 0.00 29.97 30.19 2aqe h ARG 83 CO -0.01 0.00 0.03 0.39 0.00 0.00 0.00 179.97 180.38 2aqe n GLU 84 N -3.53 0.39 -0.62 0.04 4.71 -0.33 -4.96 120.64 116.33 2aqe n GLU 84 Ca 0.07 -0.40 0.01 0.00 -0.01 0.00 0.00 57.16 56.83 2aqe n GLU 84 Cb 0.67 -0.12 0.24 0.00 -1.01 0.00 0.00 31.44 31.22 2aqe n GLU 84 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2aqe n GLY 85 N 3.80 2.67 0.08 0.62 0.00 -1.26 -4.38 105.19 106.72 2aqe n GLY 85 Ca 0.03 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.28 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 2.24 0.00 -1.73 1.61 0.05 -1.82 -3.49 116.97 113.82 2aqe h TYR 86 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.85 2aqe h TYR 86 Cb 1.60 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.34 2aqe h TYR 86 CO 0.77 1.03 0.00 0.44 -1.05 0.00 0.00 178.16 179.35 2aqe n ILE 87 N -4.58 0.00 -3.75 -2.88 -5.35 -1.11 -4.92 119.36 96.77 2aqe n ILE 87 Ca -0.14 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.19 2aqe n ILE 87 Cb 0.49 0.00 -0.16 0.00 -1.74 0.00 0.00 39.64 38.23 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 -1.35 -0.07 0.52 7.28 -4.23 -1.26 -4.55 115.64 111.98 2aqe s THR 88 Ca 0.00 0.23 0.17 0.00 -1.18 0.00 0.00 61.69 60.91 2aqe s THR 88 Cb 0.00 -0.15 0.28 0.00 1.34 0.00 0.00 72.50 73.97 2aqe s THR 88 CO 0.00 0.09 2.15 0.07 -0.54 0.00 0.00 174.62 176.39 2aqe h LYS 89 N 7.41 0.00 0.00 3.99 2.10 -1.87 1.39 116.57 129.59 2aqe h LYS 89 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 2aqe h LYS 89 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2aqe h LYS 89 CO 0.42 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.87