#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kq8 h ILE 9 N 0.00 0.75 -0.08 -0.72 6.09 -1.99 0.12 117.51 121.67 1kq8 h ILE 9 Ca 0.00 -0.13 -0.08 0.00 -1.37 0.00 0.00 64.86 63.28 1kq8 h ILE 9 Cb 0.00 0.33 0.00 0.00 0.47 0.00 0.00 36.82 37.63 1kq8 h ILE 9 CO 0.00 0.07 -0.26 0.00 -3.07 0.00 0.00 178.15 174.89 1kq8 h ALA 10 N 1.63 0.15 -0.88 0.18 0.00 -2.02 -1.52 119.26 116.80 1kq8 h ALA 10 Ca 0.40 -0.41 0.12 0.00 0.00 0.00 0.00 54.91 55.03 1kq8 h ALA 10 Cb 0.99 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 1kq8 h ALA 10 CO -0.13 0.15 0.57 1.37 0.00 0.00 0.00 179.25 181.21 1kq8 h LEU 11 N -0.15 0.69 0.46 0.00 8.10 -1.32 -0.78 115.31 122.31 1kq8 h LEU 11 Ca -0.01 0.03 -0.02 0.00 0.11 0.00 0.00 57.88 57.99 1kq8 h LEU 11 Cb 0.88 -0.11 0.00 0.00 -0.44 0.00 0.00 40.66 41.00 1kq8 h LEU 11 CO 0.06 0.37 -0.22 0.40 -4.11 0.00 0.00 178.44 174.94 1kq8 h ILE 12 N 0.75 0.30 -0.96 0.15 1.08 -0.79 0.24 117.51 118.27 1kq8 h ILE 12 Ca 0.43 -0.55 0.31 0.00 -0.39 0.00 0.00 64.86 64.66 1kq8 h ILE 12 Cb 0.60 0.45 -0.16 0.00 -3.07 0.00 0.00 36.82 34.64 1kq8 h ILE 12 CO -0.19 0.06 0.36 0.74 -0.69 0.00 0.00 178.15 178.42 1kq8 h THR 13 N -1.03 0.17 0.00 -0.27 2.02 -0.61 2.07 112.91 115.25 1kq8 h THR 13 Ca -0.06 -0.05 -0.09 0.00 0.77 0.00 0.00 66.41 66.98 1kq8 h THR 13 Cb 0.57 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1kq8 h THR 13 CO 0.10 0.03 -0.45 0.00 0.37 0.00 0.00 175.52 175.57 1kq8 h MET 14 N 0.14 0.00 0.04 6.66 -0.00 -1.10 0.01 114.93 120.68 1kq8 h MET 14 Ca 0.68 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 60.38 1kq8 h MET 14 Cb 1.57 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.17 1kq8 h MET 14 CO -0.73 0.40 -0.02 0.00 -0.00 0.00 0.00 176.91 176.56 1kq8 h ALA 15 N 1.59 -0.06 -0.08 -3.00 0.00 0.64 -3.27 119.26 115.08 1kq8 h ALA 15 Ca -0.01 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 1kq8 h ALA 15 Cb 1.32 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1kq8 h ALA 15 CO 0.05 -0.20 -0.68 0.82 0.00 0.00 0.00 179.25 179.24 1kq8 h ILE 16 N -0.72 1.39 -0.47 0.00 1.08 0.49 -2.95 117.51 116.32 1kq8 h ILE 16 Ca -0.01 -2.09 0.14 0.00 -0.39 0.00 0.00 64.86 62.51 1kq8 h ILE 16 Cb 0.62 2.07 -0.02 0.00 -3.07 0.00 0.00 36.82 36.42 1kq8 h ILE 16 CO 0.01 0.62 0.79 0.03 -0.69 0.00 0.00 178.15 178.92 1kq8 h ARG 17 N 0.24 0.00 -0.10 2.37 2.47 -1.04 1.62 114.38 119.94 1kq8 h ARG 17 Ca -0.02 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1kq8 h ARG 17 Cb 1.23 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.54 1kq8 h ARG 17 CO 0.11 0.00 0.06 0.22 0.56 0.00 0.00 179.97 180.92 1kq8 h ASP 18 N 0.00 0.12 0.11 7.04 3.58 -1.59 -3.07 116.42 122.61 1kq8 h ASP 18 Ca 0.22 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 1kq8 h ASP 18 Cb 1.81 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.83 1kq8 h ASP 18 CO -0.00 0.10 -0.05 0.77 -2.88 0.00 0.00 179.24 177.17 1kq8 h SER 19 N 0.14 -0.12 -1.31 2.28 4.64 0.22 -3.49 113.55 115.91 1kq8 h SER 19 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1kq8 h SER 19 Cb 0.00 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1kq8 h SER 19 CO -0.01 -0.05 0.00 0.00 -0.87 0.00 0.00 176.83 175.91 1kq8 n ALA 20 N -2.14 0.00 -3.08 5.18 0.00 -1.16 -4.42 120.51 114.89 1kq8 n ALA 20 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.29 1kq8 n ALA 20 Cb 0.06 -0.34 0.06 0.00 0.00 0.00 0.00 19.45 19.23 1kq8 n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kq8 n GLY 21 N -0.66 -0.95 1.20 0.00 0.00 -1.26 -4.92 105.19 98.61 1kq8 n GLY 21 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1kq8 n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kq8 n GLY 22 N -1.25 -1.47 3.62 -0.02 0.00 -0.23 -4.69 105.19 101.15 1kq8 n GLY 22 Ca -0.07 0.38 -0.09 0.00 0.00 0.00 0.00 46.02 46.24 1kq8 n GLY 22 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1kq8 s ARG 23 N -0.60 0.73 -0.11 1.61 1.70 -1.26 -3.01 118.95 118.01 1kq8 s ARG 23 Ca 0.00 1.15 0.03 0.00 -0.47 0.00 0.00 55.73 56.43 1kq8 s ARG 23 Cb 0.00 0.21 -0.00 0.00 -0.57 0.00 0.00 34.95 34.58 1kq8 s ARG 23 CO 0.00 -0.14 -0.21 -1.17 -1.08 0.00 0.00 175.30 172.70 1kq8 s LEU 24 N 1.28 2.26 -0.25 -1.89 1.98 0.10 -4.22 118.68 117.94 1kq8 s LEU 24 Ca -0.07 -0.50 -0.09 0.00 -2.89 0.00 0.00 54.13 50.58 1kq8 s LEU 24 Cb -0.05 -1.47 -0.04 0.00 0.66 0.00 0.00 46.19 45.29 1kq8 s LEU 24 CO -0.14 0.16 0.12 0.42 -1.89 0.00 0.00 176.35 175.03 1kq8 s THR 25 N 0.34 4.84 -0.12 3.68 -4.23 -1.26 0.20 115.64 119.08 1kq8 s THR 25 Ca -0.17 0.01 0.25 0.00 -1.18 0.00 0.00 61.69 60.59 1kq8 s THR 25 Cb -0.17 -3.27 0.28 0.00 1.34 0.00 0.00 72.50 70.68 1kq8 s THR 25 CO 0.08 0.32 1.73 -0.07 -0.54 0.00 0.00 174.62 176.14 1kq8 h LEU 26 N 8.02 0.00 0.47 4.79 -0.00 -1.93 -2.02 115.31 124.65 1kq8 h LEU 26 Ca -0.37 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.49 1kq8 h LEU 26 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 1kq8 h LEU 26 CO 0.59 0.14 -0.22 0.00 -0.00 0.00 0.00 178.44 178.94 1kq8 h ALA 27 N 1.86 -0.63 -0.34 1.53 0.00 -1.93 0.13 119.26 119.89 1kq8 h ALA 27 Ca -0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1kq8 h ALA 27 Cb 0.88 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1kq8 h ALA 27 CO 0.02 -0.67 0.00 1.49 0.00 0.00 0.00 179.25 180.09 1kq8 h GLU 28 N -0.99 0.52 -0.63 0.00 4.22 -1.87 -1.72 114.58 114.11 1kq8 h GLU 28 Ca -0.06 -0.11 -0.08 0.00 0.08 0.00 0.00 59.36 59.19 1kq8 h GLU 28 Cb 0.58 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1kq8 h GLU 28 CO 0.11 0.55 0.08 0.82 -2.18 0.00 0.00 179.01 178.39 1kq8 h ILE 29 N 0.50 1.26 -0.01 2.32 5.03 -1.32 0.27 117.51 125.57 1kq8 h ILE 29 Ca 0.11 -1.04 -0.00 0.00 -0.12 0.00 0.00 64.86 63.80 1kq8 h ILE 29 Cb 0.32 0.71 -0.00 0.00 -3.03 0.00 0.00 36.82 34.82 1kq8 h ILE 29 CO 0.01 0.39 0.00 -1.13 -0.68 0.00 0.00 178.15 176.74 1kq8 h ASN 30 N 0.97 0.01 0.37 1.72 -0.73 -0.09 0.55 115.58 118.38 1kq8 h ASN 30 Ca 0.19 -0.08 -0.05 0.00 1.87 0.00 0.00 56.30 58.23 1kq8 h ASN 30 Cb 0.46 -0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.04 1kq8 h ASN 30 CO 0.02 0.09 -0.21 -0.08 -0.37 0.00 0.00 177.43 176.87 1kq8 h GLU 31 N -0.07 0.00 0.00 6.67 4.22 -1.14 -1.31 114.58 122.94 1kq8 h GLU 31 Ca 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 59.31 1kq8 h GLU 31 Cb 0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1kq8 h GLU 31 CO -0.00 0.21 -0.63 -0.92 -2.18 0.00 0.00 179.01 175.49 1kq8 h TYR 32 N 0.00 0.00 0.06 0.92 3.20 0.28 -1.77 116.97 119.66 1kq8 h TYR 32 Ca -0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1kq8 h TYR 32 Cb 0.46 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1kq8 h TYR 32 CO 0.00 0.61 -0.03 -0.07 -1.64 0.00 0.00 178.16 177.03 1kq8 h LEU 33 N 0.00 -0.07 -1.51 2.82 4.07 0.90 -2.05 115.31 119.47 1kq8 h LEU 33 Ca -0.01 -0.57 -0.05 0.00 0.08 0.00 0.00 57.88 57.33 1kq8 h LEU 33 Cb 1.48 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 43.23 1kq8 h LEU 33 CO 0.08 0.63 -0.22 0.24 -1.08 0.00 0.00 178.44 178.08 1kq8 h MET 34 N -0.85 0.00 0.00 1.13 2.86 -1.38 1.51 114.93 118.20 1kq8 h MET 34 Ca -0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1kq8 h MET 34 Cb 0.64 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.29 1kq8 h MET 34 CO 0.01 0.22 -0.04 0.78 1.06 0.00 0.00 176.91 178.94 1kq8 h GLY 35 N 1.25 0.00 0.00 8.32 0.00 -1.36 -3.38 103.07 107.91 1kq8 h GLY 35 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1kq8 h GLY 35 CO 0.03 0.00 -0.97 0.28 0.00 0.00 0.00 176.54 175.88 1kq8 n LYS 36 N -3.11 0.43 -2.53 4.80 4.76 -0.75 -4.92 118.16 116.84 1kq8 n LYS 36 Ca 0.04 0.17 -0.43 0.00 -2.87 0.00 0.00 58.31 55.22 1kq8 n LYS 36 Cb 0.54 -1.25 -0.02 0.00 -1.84 0.00 0.00 35.03 32.46 1kq8 n LYS 36 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1kq8 s PHE 37 N -2.70 2.85 0.09 2.13 0.40 0.51 -4.90 117.98 116.36 1kq8 s PHE 37 Ca -0.24 0.93 -0.12 0.00 -0.60 0.00 0.00 56.93 56.89 1kq8 s PHE 37 Cb 0.04 -3.99 -0.19 0.00 0.51 0.00 0.00 43.02 39.39 1kq8 s PHE 37 CO 0.35 -1.32 1.25 -1.00 0.70 0.00 0.00 175.22 175.20 1kq8 h PRO 38 N 8.99 0.71 -0.06 0.24 0.13 -1.83 -2.93 132.00 137.25 1kq8 h PRO 38 Ca -0.24 -0.69 -0.02 0.00 -0.87 0.00 0.00 66.00 64.19 1kq8 h PRO 38 Cb 1.08 0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1kq8 h PRO 38 CO 1.06 1.28 -0.04 0.74 -0.23 0.00 0.00 178.00 180.81 1kq8 h PHE 39 N 0.43 0.08 0.00 1.56 0.04 -1.94 -1.23 116.94 115.88 1kq8 h PHE 39 Ca -0.10 -0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.51 1kq8 h PHE 39 Cb 1.58 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.68 1kq8 h PHE 39 CO 0.09 0.13 -0.75 0.74 -0.60 0.00 0.00 178.31 177.92 1kq8 h PHE 40 N 0.08 0.00 -0.97 -0.55 -1.00 -1.89 0.61 116.94 113.23 1kq8 h PHE 40 Ca 0.02 0.00 -0.51 0.00 2.81 0.00 0.00 57.97 60.29 1kq8 h PHE 40 Cb 0.13 0.00 -0.30 0.00 3.61 0.00 0.00 35.95 39.39 1kq8 h PHE 40 CO 0.00 0.75 0.65 -2.13 -1.61 0.00 0.00 178.31 175.97 1kq8 n ARG 41 N -3.52 2.24 0.00 1.51 0.63 -0.50 -3.81 116.66 113.21 1kq8 n ARG 41 Ca -0.00 -2.94 0.00 0.00 -0.92 0.00 0.00 57.85 53.99 1kq8 n ARG 41 Cb 0.76 -2.15 0.00 0.00 0.45 0.00 0.00 32.46 31.52 1kq8 n ARG 41 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1kq8 n GLY 42 N -1.08 -0.13 0.00 5.14 0.00 -0.95 -5.00 105.19 103.15 1kq8 n GLY 42 Ca 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1kq8 n GLY 42 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kq8 n SER 43 N -2.10 0.00 -3.65 1.61 7.64 0.20 -4.96 113.62 112.36 1kq8 n SER 43 Ca 0.00 0.38 -0.04 0.00 1.01 0.00 0.00 58.87 60.22 1kq8 n SER 43 Cb 0.00 -0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.02 1kq8 n SER 43 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1kq8 s TYR 44 N -0.88 -1.19 -0.30 1.43 1.13 -1.26 -5.03 117.35 111.26 1kq8 s TYR 44 Ca 0.00 2.17 -0.00 0.00 -1.41 0.00 0.00 57.07 57.83 1kq8 s TYR 44 Cb 0.00 0.69 0.26 0.00 -1.10 0.00 0.00 41.96 41.81 1kq8 s TYR 44 CO 0.00 -0.60 1.84 0.25 -2.51 0.00 0.00 175.55 174.54 1kq8 n THR 45 N 5.01 2.59 -2.38 -3.49 -2.24 -1.25 -4.46 114.28 108.06 1kq8 n THR 45 Ca -0.15 -1.47 -0.33 0.00 -2.27 0.00 0.00 64.05 59.83 1kq8 n THR 45 Cb 0.53 -1.14 0.01 0.00 -2.10 0.00 0.00 70.33 67.63 1kq8 n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kq8 n GLY 46 N 0.10 5.81 0.00 3.38 0.00 -1.26 -4.41 105.19 108.80 1kq8 n GLY 46 Ca 0.31 -2.65 0.00 0.00 0.00 0.00 0.00 46.02 43.68 1kq8 n GLY 46 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1kq8 n TRP 47 N -0.41 0.00 -0.31 1.61 4.27 -1.26 -4.74 117.44 116.60 1kq8 n TRP 47 Ca 0.44 -0.21 0.07 0.00 -3.89 0.00 0.00 57.50 53.91 1kq8 n TRP 47 Cb 0.42 -0.02 0.28 0.00 -1.36 0.00 0.00 31.31 30.63 1kq8 n TRP 47 CO 0.00 0.00 0.00 -0.09 -2.29 0.00 0.00 177.69 175.31 1kq8 h ARG 48 N 0.00 0.89 0.09 -2.67 2.43 -1.96 1.83 114.38 114.99 1kq8 h ARG 48 Ca 0.00 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1kq8 h ARG 48 Cb 0.49 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1kq8 h ARG 48 CO 0.00 0.59 -0.04 -0.97 -1.51 0.00 0.00 179.97 178.04 1kq8 h ASN 49 N 0.92 -0.10 0.51 -3.80 -0.73 -1.95 -0.43 115.58 109.99 1kq8 h ASN 49 Ca 0.44 -0.48 -0.02 0.00 1.87 0.00 0.00 56.30 58.11 1kq8 h ASN 49 Cb 0.43 0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.05 1kq8 h ASN 49 CO -0.20 0.48 -0.26 0.28 -0.37 0.00 0.00 177.43 177.36 1kq8 h SER 50 N -0.74 -0.62 -0.70 1.15 0.02 -1.72 0.36 113.55 111.29 1kq8 h SER 50 Ca -0.01 0.03 0.11 0.00 -0.84 0.00 0.00 61.79 61.07 1kq8 h SER 50 Cb 0.57 0.17 -0.08 0.00 0.14 0.00 0.00 62.40 63.20 1kq8 h SER 50 CO 0.02 -0.43 0.31 1.62 -1.14 0.00 0.00 176.83 177.21 1kq8 h VAL 51 N -0.70 0.78 -0.58 2.27 3.04 0.27 -0.04 116.25 121.29 1kq8 h VAL 51 Ca -0.07 -0.18 -0.01 0.00 -1.01 0.00 0.00 66.70 65.44 1kq8 h VAL 51 Cb 0.55 0.22 -0.03 0.00 -2.01 0.00 0.00 31.29 30.02 1kq8 h VAL 51 CO 0.10 0.09 0.34 0.03 -1.01 0.00 0.00 177.57 177.13 1kq8 h ARG 52 N 0.52 0.79 -0.24 4.17 3.08 -0.67 0.65 114.38 122.68 1kq8 h ARG 52 Ca 0.36 -0.08 0.05 0.00 0.07 0.00 0.00 59.98 60.37 1kq8 h ARG 52 Cb 0.44 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 1kq8 h ARG 52 CO -0.31 0.58 -0.04 0.45 -1.07 0.00 0.00 179.97 179.58 1kq8 h HIS 53 N 0.78 -0.10 -0.05 3.04 3.86 0.15 -0.29 115.15 122.54 1kq8 h HIS 53 Ca 0.21 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.33 1kq8 h HIS 53 Cb 0.00 0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 1kq8 h HIS 53 CO -0.02 -0.08 -0.45 -0.97 0.86 0.00 0.00 177.93 177.27 1kq8 h ASN 54 N 0.02 0.13 -0.03 2.45 -0.73 -0.76 0.45 115.58 117.11 1kq8 h ASN 54 Ca 0.11 -0.06 0.03 0.00 1.87 0.00 0.00 56.30 58.25 1kq8 h ASN 54 Cb 0.17 -0.04 -0.04 0.00 0.27 0.00 0.00 38.32 38.68 1kq8 h ASN 54 CO -0.23 0.57 -0.17 0.25 -0.37 0.00 0.00 177.43 177.48 1kq8 h LEU 55 N 0.10 -0.49 -0.01 0.34 5.85 0.19 1.78 115.31 123.07 1kq8 h LEU 55 Ca 0.01 0.08 -0.23 0.00 0.84 0.00 0.00 57.88 58.57 1kq8 h LEU 55 Cb 0.84 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1kq8 h LEU 55 CO 0.06 -0.23 -1.05 -1.28 -0.34 0.00 0.00 178.44 175.60 1kq8 h SER 56 N -0.26 0.17 -0.00 1.25 0.87 -0.99 -2.80 113.55 111.78 1kq8 h SER 56 Ca 0.06 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1kq8 h SER 56 Cb 0.34 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1kq8 h SER 56 CO -0.18 1.11 0.00 0.18 -0.53 0.00 0.00 176.83 177.41 1kq8 n LEU 57 N -3.46 0.03 0.00 2.23 4.77 0.16 -1.83 117.00 118.91 1kq8 n LEU 57 Ca -0.03 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1kq8 n LEU 57 Cb 0.94 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 1kq8 n LEU 57 CO 0.49 0.01 0.00 -3.20 -1.33 0.00 0.00 177.39 173.36 1kq8 n ASN 58 N -0.92 0.00 0.14 -1.43 5.15 0.60 -4.81 115.26 113.99 1kq8 n ASN 58 Ca 0.21 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 54.06 1kq8 n ASN 58 Cb 0.10 -0.12 -0.08 0.00 -0.53 0.00 0.00 39.78 39.15 1kq8 n ASN 58 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 1kq8 h ASP 59 N 0.00 -0.32 -0.79 1.20 1.82 -1.66 -3.49 116.42 113.19 1kq8 h ASP 59 Ca 0.00 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.43 1kq8 h ASP 59 Cb 0.00 0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.09 1kq8 h ASP 59 CO 0.00 0.08 0.00 0.00 -1.61 0.00 0.00 179.24 177.71 1kq8 n PHE 61 N -0.25 0.00 -4.31 0.00 1.16 -1.26 -4.87 117.46 107.93 1kq8 n PHE 61 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.31 1kq8 n PHE 61 Cb 0.12 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 37.89 1kq8 n PHE 61 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1kq8 s VAL 62 N -0.45 3.02 0.10 1.97 1.01 0.55 -4.99 120.40 121.61 1kq8 s VAL 62 Ca 0.00 -1.70 0.09 0.00 0.00 0.00 0.00 61.98 60.37 1kq8 s VAL 62 Cb 0.00 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1kq8 s VAL 62 CO 0.00 -0.09 -0.19 -1.59 0.00 0.00 0.00 175.10 173.23 1kq8 s LYS 63 N -2.72 1.81 -0.31 2.72 -2.85 -1.26 0.20 119.74 117.32 1kq8 s LYS 63 Ca 0.23 -1.15 0.07 0.00 -1.00 0.00 0.00 55.97 54.12 1kq8 s LYS 63 Cb -0.09 -2.11 0.46 0.00 -2.06 0.00 0.00 37.83 34.03 1kq8 s LYS 63 CO 0.14 0.49 1.17 1.33 0.10 0.00 0.00 175.35 178.58 1kq8 n VAL 64 N 0.99 2.46 -1.30 1.79 0.24 -0.78 -4.85 118.33 116.88 1kq8 n VAL 64 Ca -0.16 -4.28 -0.39 0.00 -2.04 0.00 0.00 64.34 57.47 1kq8 n VAL 64 Cb 0.53 -1.07 0.02 0.00 -1.47 0.00 0.00 33.84 31.84 1kq8 n VAL 64 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1kq8 n LEU 65 N -0.67 -2.65 -3.89 1.34 4.77 -1.26 -2.22 117.00 112.42 1kq8 n LEU 65 Ca 0.42 0.69 -0.34 0.00 -0.03 0.00 0.00 56.01 56.75 1kq8 n LEU 65 Cb 0.92 -0.92 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1kq8 n LEU 65 CO 0.38 -4.37 -0.20 -1.14 -1.33 0.00 0.00 177.39 170.73 1kq8 n ARG 66 N 1.16 -0.84 -3.20 3.23 0.63 -1.26 -4.88 116.66 111.50 1kq8 n ARG 66 Ca 0.09 0.34 -0.39 0.00 -0.92 0.00 0.00 57.85 56.97 1kq8 n ARG 66 Cb 0.47 -2.11 -0.06 0.00 0.45 0.00 0.00 32.46 31.21 1kq8 n ARG 66 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 1kq8 s ASP 67 N -3.28 7.01 -1.12 6.15 -4.77 -0.94 -4.96 116.67 114.75 1kq8 s ASP 67 Ca 0.23 1.20 -0.19 0.00 -3.30 0.00 0.00 52.55 50.50 1kq8 s ASP 67 Cb -0.13 -2.37 -0.06 0.00 -1.09 0.00 0.00 42.92 39.27 1kq8 s ASP 67 CO 0.87 0.12 2.03 -0.81 0.70 0.00 0.00 175.17 178.09 1kq8 n PRO 68 N 2.56 2.18 0.14 2.11 -0.04 -1.26 -3.56 135.00 137.13 1kq8 n PRO 68 Ca -0.07 -2.31 0.00 0.00 -0.04 0.00 0.00 63.50 61.07 1kq8 n PRO 68 Cb 0.51 -3.18 0.00 0.00 -0.04 0.00 0.00 33.50 30.79 1kq8 n PRO 68 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1kq8 n SER 69 N 7.58 -2.03 -3.95 3.54 7.64 -1.26 -5.02 113.62 120.11 1kq8 n SER 69 Ca 0.50 0.53 -0.30 0.00 1.01 0.00 0.00 58.87 60.61 1kq8 n SER 69 Cb 0.41 2.05 -0.11 0.00 -1.01 0.00 0.00 64.21 65.54 1kq8 n SER 69 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1kq8 s ARG 70 N -2.00 2.57 0.17 1.43 0.52 -1.23 -4.88 118.95 115.53 1kq8 s ARG 70 Ca 0.00 -3.23 0.01 0.00 -0.52 0.00 0.00 55.73 51.99 1kq8 s ARG 70 Cb 0.00 -3.53 0.03 0.00 0.52 0.00 0.00 34.95 31.98 1kq8 s ARG 70 CO 0.00 -1.26 1.41 -1.00 0.02 0.00 0.00 175.30 174.47 1kq8 h PRO 71 N 5.69 0.25 -1.26 3.54 0.13 -1.94 -3.23 132.00 135.20 1kq8 h PRO 71 Ca 0.12 -0.25 -0.61 0.00 -0.87 0.00 0.00 66.00 64.39 1kq8 h PRO 71 Cb 0.79 0.06 -0.39 0.00 0.13 0.00 0.00 31.00 31.60 1kq8 h PRO 71 CO 0.74 0.94 -0.30 0.91 -0.23 0.00 0.00 178.00 180.06 1kq8 n TRP 72 N -3.73 3.10 -1.04 1.56 8.01 -1.26 -4.97 117.44 119.11 1kq8 n TRP 72 Ca -0.04 -2.69 0.00 0.00 -1.31 0.00 0.00 57.50 53.47 1kq8 n TRP 72 Cb 0.77 -0.50 0.00 0.00 -2.01 0.00 0.00 31.31 29.57 1kq8 n TRP 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1kq8 n GLY 73 N -0.62 2.87 0.17 6.99 0.00 -1.22 -5.02 105.19 108.35 1kq8 n GLY 73 Ca 0.46 -1.84 -0.14 0.00 0.00 0.00 0.00 46.02 44.50 1kq8 n GLY 73 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1kq8 h LYS 74 N 0.00 -0.32 0.00 1.61 1.63 -1.94 -3.48 116.57 114.07 1kq8 h LYS 74 Ca 0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1kq8 h LYS 74 Cb 0.00 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 1kq8 h LYS 74 CO 0.00 -0.12 0.00 -3.47 -3.45 0.00 0.00 179.45 172.41 1kq8 n ASP 75 N -5.18 0.00 -3.61 4.20 2.03 -1.26 -4.98 116.55 107.76 1kq8 n ASP 75 Ca -0.09 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.16 1kq8 n ASP 75 Cb 0.20 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.58 1kq8 n ASP 75 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1kq8 s ASN 76 N 0.00 -0.25 0.08 1.67 4.22 -1.26 -4.67 114.94 114.73 1kq8 s ASN 76 Ca 0.00 -0.14 -0.04 0.00 -2.14 0.00 0.00 52.86 50.53 1kq8 s ASN 76 Cb 0.00 0.37 -0.02 0.00 1.28 0.00 0.00 41.25 42.87 1kq8 s ASN 76 CO 0.00 -0.63 0.08 -0.72 -2.04 0.00 0.00 177.10 173.79 1kq8 s TYR 77 N -3.02 0.40 0.30 1.54 1.13 -1.26 -3.59 117.35 112.85 1kq8 s TYR 77 Ca 0.09 -0.88 0.10 0.00 -1.41 0.00 0.00 57.07 54.96 1kq8 s TYR 77 Cb -0.01 -0.25 -0.05 0.00 -1.10 0.00 0.00 41.96 40.56 1kq8 s TYR 77 CO -0.04 -0.48 -0.02 -1.58 -2.51 0.00 0.00 175.55 170.92 1kq8 s TRP 78 N -3.91 2.57 -0.17 -3.49 0.51 0.53 -1.87 118.94 113.10 1kq8 s TRP 78 Ca 0.08 -0.34 0.00 0.00 -2.12 0.00 0.00 56.10 53.73 1kq8 s TRP 78 Cb 0.06 -1.31 0.01 0.00 -0.81 0.00 0.00 33.47 31.42 1kq8 s TRP 78 CO -0.09 0.56 -0.17 0.00 -0.51 0.00 0.00 176.95 176.75 1kq8 s MET 79 N -3.68 3.11 0.18 4.98 0.23 0.52 0.01 119.30 124.66 1kq8 s MET 79 Ca 0.33 -0.78 0.10 0.00 -1.03 0.00 0.00 55.69 54.31 1kq8 s MET 79 Cb -0.03 -2.63 -0.04 0.00 -1.53 0.00 0.00 34.83 30.59 1kq8 s MET 79 CO 0.19 -0.13 -0.22 -0.48 -2.03 0.00 0.00 175.02 172.36 1kq8 s LEU 80 N 1.14 2.44 -0.11 0.18 2.34 -1.16 -0.33 118.68 123.17 1kq8 s LEU 80 Ca 0.01 -0.87 -0.30 0.00 0.06 0.00 0.00 54.13 53.03 1kq8 s LEU 80 Cb -0.14 -1.03 0.12 0.00 -0.56 0.00 0.00 46.19 44.57 1kq8 s LEU 80 CO -0.07 0.06 0.95 0.54 -1.06 0.00 0.00 176.35 176.77 1kq8 s ASN 81 N -2.68 -0.38 0.00 1.48 2.20 -1.26 -1.07 114.94 113.23 1kq8 s ASN 81 Ca 0.19 0.29 0.24 0.00 -0.94 0.00 0.00 52.86 52.64 1kq8 s ASN 81 Cb -0.07 0.34 1.44 0.00 -2.00 0.00 0.00 41.25 40.95 1kq8 s ASN 81 CO 0.09 -0.44 1.80 -0.81 -2.94 0.00 0.00 177.10 174.80