#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqk s LEU 2 N 0.00 4.03 -0.00 -0.89 1.43 -1.26 -5.02 118.68 116.97 1lqk s LEU 2 Ca 0.00 0.89 0.09 0.00 -1.03 0.00 0.00 54.13 54.08 1lqk s LEU 2 Cb 0.00 -3.71 -0.10 0.00 0.03 0.00 0.00 46.19 42.41 1lqk s LEU 2 CO 0.00 -0.22 0.36 0.35 0.23 0.00 0.00 176.35 177.08 1lqk n THR 3 N -0.81 0.00 -0.26 5.49 -2.24 -1.26 -5.11 114.28 110.09 1lqk n THR 3 Ca 0.00 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1lqk n THR 3 Cb 0.54 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 1lqk n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lqk n GLY 4 N 1.28 0.87 3.69 3.38 0.00 -1.26 -5.07 105.19 108.08 1lqk n GLY 4 Ca 0.01 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 1lqk n GLY 4 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1lqk s LEU 5 N 0.00 4.25 -0.21 0.99 2.96 -1.26 -4.96 118.68 120.44 1lqk s LEU 5 Ca 0.00 1.30 -0.14 0.00 -0.22 0.00 0.00 54.13 55.07 1lqk s LEU 5 Cb 0.00 -3.29 -0.19 0.00 0.50 0.00 0.00 46.19 43.21 1lqk s LEU 5 CO 0.00 -0.32 0.06 -3.20 -1.32 0.00 0.00 176.35 171.57 1lqk n ASN 6 N 4.66 1.95 -3.45 3.68 2.85 -1.26 -5.00 115.26 118.69 1lqk n ASN 6 Ca 0.04 0.30 -0.11 0.00 -0.11 0.00 0.00 54.58 54.70 1lqk n ASN 6 Cb 0.50 -0.85 -0.02 0.00 1.24 0.00 0.00 39.78 40.64 1lqk n ASN 6 CO 0.00 0.00 0.00 -1.38 -2.11 0.00 0.00 177.26 173.77 1lqk s HIS 7 N -2.46 -0.48 -0.13 1.20 -3.43 -1.26 -4.42 115.29 104.31 1lqk s HIS 7 Ca -0.31 0.29 0.01 0.00 -0.80 0.00 0.00 55.06 54.25 1lqk s HIS 7 Cb 0.09 0.55 -0.01 0.00 -1.43 0.00 0.00 32.58 31.78 1lqk s HIS 7 CO 0.61 -0.76 -0.15 -1.17 -2.00 0.00 0.00 174.74 171.26 1lqk s LEU 8 N -2.67 2.57 -0.11 5.38 2.96 -0.51 -5.03 118.68 121.27 1lqk s LEU 8 Ca 0.02 -0.39 0.03 0.00 -0.22 0.00 0.00 54.13 53.57 1lqk s LEU 8 Cb -0.01 -1.57 -0.00 0.00 0.50 0.00 0.00 46.19 45.11 1lqk s LEU 8 CO -0.12 0.15 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.96 1lqk s THR 9 N 0.42 2.22 -0.13 3.68 2.01 -1.26 -0.41 115.64 122.17 1lqk s THR 9 Ca -0.11 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 60.94 1lqk s THR 9 Cb -0.16 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.46 1lqk s THR 9 CO 0.05 0.55 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.63 1lqk s LEU 10 N 0.44 2.63 0.28 4.42 1.43 0.16 -4.97 118.68 123.07 1lqk s LEU 10 Ca -0.15 -0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 52.29 1lqk s LEU 10 Cb -0.17 -1.59 -0.10 0.00 0.03 0.00 0.00 46.19 44.36 1lqk s LEU 10 CO 0.06 0.16 1.28 0.00 0.23 0.00 0.00 176.35 178.08 1lqk s ALA 11 N 0.40 3.50 -0.01 4.21 0.00 -1.26 -1.01 121.76 127.58 1lqk s ALA 11 Ca -0.11 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1lqk s ALA 11 Cb -0.16 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.52 1lqk s ALA 11 CO 0.05 -0.53 0.01 0.14 0.00 0.00 0.00 175.76 175.43 1lqk s VAL 12 N -0.74 0.02 0.13 0.00 -7.23 -0.09 -4.87 120.40 107.62 1lqk s VAL 12 Ca 0.51 0.10 0.03 0.00 -1.81 0.00 0.00 61.98 60.81 1lqk s VAL 12 Cb -0.38 -0.10 -0.19 0.00 0.56 0.00 0.00 36.38 36.27 1lqk s VAL 12 CO 0.46 0.07 1.30 0.00 -0.31 0.00 0.00 175.10 176.62 1lqk h ALA 13 N 6.82 0.39 -3.09 1.32 0.00 -1.81 0.50 119.26 123.39 1lqk h ALA 13 Ca -0.37 -0.82 -0.62 0.00 0.00 0.00 0.00 54.91 53.10 1lqk h ALA 13 Cb 1.16 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.45 1lqk h ALA 13 CO 0.49 1.04 -0.70 0.34 0.00 0.00 0.00 179.25 180.43 1lqk s ASP 14 N -6.89 3.89 0.20 0.00 -1.08 -1.26 -4.70 116.67 106.82 1lqk s ASP 14 Ca -0.02 -2.92 -0.11 0.00 -0.52 0.00 0.00 52.55 48.98 1lqk s ASP 14 Cb 0.10 -1.27 0.15 0.00 -1.46 0.00 0.00 42.92 40.44 1lqk s ASP 14 CO 0.83 -0.23 1.86 0.25 0.52 0.00 0.00 175.17 178.40 1lqk h LEU 15 N 6.43 0.74 -0.71 -1.34 5.85 -1.97 -1.70 115.31 122.62 1lqk h LEU 15 Ca 0.00 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.77 1lqk h LEU 15 Cb 0.89 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 1lqk h LEU 15 CO 0.57 0.53 0.41 -0.65 -0.34 0.00 0.00 178.44 178.96 1lqk h PRO 16 N 0.88 0.74 -0.70 5.25 0.11 -1.99 -0.12 132.00 136.17 1lqk h PRO 16 Ca 0.26 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.26 1lqk h PRO 16 Cb -0.05 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 30.87 1lqk h PRO 16 CO -0.08 0.49 0.20 0.00 -0.21 0.00 0.00 178.00 178.40 1lqk h ALA 17 N 1.35 0.92 -0.40 -0.75 0.00 -1.88 -1.56 119.26 116.94 1lqk h ALA 17 Ca 0.31 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1lqk h ALA 17 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1lqk h ALA 17 CO -0.17 0.61 -0.21 0.77 0.00 0.00 0.00 179.25 180.25 1lqk h SER 18 N 1.03 0.88 -0.39 0.00 0.02 -0.97 -0.87 113.55 113.25 1lqk h SER 18 Ca 0.22 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1lqk h SER 18 Cb 0.33 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1lqk h SER 18 CO -0.00 1.10 0.26 0.40 -1.14 0.00 0.00 176.83 177.44 1lqk h ILE 19 N 0.66 1.10 -0.89 3.27 2.04 -0.86 -0.89 117.51 121.95 1lqk h ILE 19 Ca 0.09 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.77 1lqk h ILE 19 Cb 0.78 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 1lqk h ILE 19 CO 0.06 0.10 0.58 0.00 0.00 0.00 0.00 178.15 178.89 1lqk h ALA 20 N 1.14 1.13 0.38 1.87 0.00 -1.07 0.15 119.26 122.86 1lqk h ALA 20 Ca 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1lqk h ALA 20 Cb -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.39 1lqk h ALA 20 CO -0.03 0.50 -0.18 0.35 0.00 0.00 0.00 179.25 179.89 1lqk h PHE 21 N 1.18 -0.47 -0.50 0.00 3.57 -0.76 0.18 116.94 120.15 1lqk h PHE 21 Ca 0.33 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.70 1lqk h PHE 21 Cb -0.10 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1lqk h PHE 21 CO -0.01 -0.18 -0.17 1.88 -2.23 0.00 0.00 178.31 177.60 1lqk h TYR 22 N -0.71 1.12 0.08 0.41 -1.99 -0.99 -1.57 116.97 113.32 1lqk h TYR 22 Ca -0.05 -0.25 -0.00 0.00 2.00 0.00 0.00 58.73 60.42 1lqk h TYR 22 Cb 0.50 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 38.96 1lqk h TYR 22 CO -0.00 1.07 -0.04 -0.09 -0.00 0.00 0.00 178.16 179.10 1lqk h ARG 23 N 0.87 -0.11 0.20 4.88 2.43 -0.76 -0.48 114.38 121.40 1lqk h ARG 23 Ca 0.12 0.01 -0.32 0.00 -0.81 0.00 0.00 59.98 58.98 1lqk h ARG 23 Cb 0.74 0.02 0.02 0.00 -0.42 0.00 0.00 29.97 30.34 1lqk h ARG 23 CO 0.06 0.20 -1.43 -0.44 -1.51 0.00 0.00 179.97 176.84 1lqk h ASP 24 N -0.99 0.65 0.08 -3.80 3.32 -0.75 -1.58 116.42 113.34 1lqk h ASP 24 Ca -0.01 -0.73 -0.23 0.00 0.02 0.00 0.00 57.03 56.08 1lqk h ASP 24 Cb 0.36 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1lqk h ASP 24 CO 0.02 1.58 -1.18 0.25 -1.72 0.00 0.00 179.24 178.19 1lqk h LEU 25 N 0.11 0.25 0.00 1.55 5.85 -1.20 -3.40 115.31 118.48 1lqk h LEU 25 Ca -0.22 -0.81 0.00 0.00 0.84 0.00 0.00 57.88 57.69 1lqk h LEU 25 Cb 2.09 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 43.04 1lqk h LEU 25 CO 0.24 1.50 -0.96 0.18 -0.34 0.00 0.00 178.44 179.06 1lqk n LEU 26 N -4.12 0.64 0.00 2.25 4.77 -0.65 -4.98 117.00 114.91 1lqk n LEU 26 Ca -0.24 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1lqk n LEU 26 Cb 0.80 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1lqk n LEU 26 CO 0.36 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1lqk n GLY 27 N 1.41 0.78 3.76 -0.72 0.00 -0.60 -4.97 105.19 104.85 1lqk n GLY 27 Ca 0.03 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1lqk n GLY 27 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lqk s PHE 28 N -2.00 2.48 -0.18 1.61 0.40 -0.24 -4.94 117.98 115.11 1lqk s PHE 28 Ca 0.00 1.50 -0.16 0.00 -0.60 0.00 0.00 56.93 57.67 1lqk s PHE 28 Cb 0.00 -3.49 -0.04 0.00 0.51 0.00 0.00 43.02 40.00 1lqk s PHE 28 CO 0.00 -2.14 0.42 0.50 0.70 0.00 0.00 175.22 174.70 1lqk s ARG 29 N -3.16 4.21 -0.18 0.44 3.52 0.06 -4.30 118.95 119.54 1lqk s ARG 29 Ca 0.74 0.26 -0.29 0.00 -0.13 0.00 0.00 55.73 56.31 1lqk s ARG 29 Cb -0.31 -3.51 0.00 0.00 -1.56 0.00 0.00 34.95 29.57 1lqk s ARG 29 CO 0.35 0.01 1.04 -1.17 -0.81 0.00 0.00 175.30 174.71 1lqk s LEU 30 N 1.15 4.15 -0.17 -0.88 2.96 -1.26 -1.14 118.68 123.48 1lqk s LEU 30 Ca 0.21 1.45 0.15 0.00 -0.22 0.00 0.00 54.13 55.72 1lqk s LEU 30 Cb -0.15 -3.55 -0.22 0.00 0.50 0.00 0.00 46.19 42.78 1lqk s LEU 30 CO 0.08 -0.60 0.06 -0.62 -1.32 0.00 0.00 176.35 173.95 1lqk n GLU 31 N 5.87 1.13 -3.58 1.98 -0.58 0.19 -4.99 120.64 120.65 1lqk n GLU 31 Ca 0.11 -0.01 -0.17 0.00 -0.42 0.00 0.00 57.16 56.68 1lqk n GLU 31 Cb 0.47 -1.45 -0.07 0.00 -0.57 0.00 0.00 31.44 29.82 1lqk n GLU 31 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1lqk s ALA 32 N -2.42 -1.57 -0.01 0.62 0.00 -0.95 -4.97 121.76 112.46 1lqk s ALA 32 Ca -0.09 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1lqk s ALA 32 Cb 0.05 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.04 1lqk s ALA 32 CO 0.72 -0.34 0.00 0.50 0.00 0.00 0.00 175.76 176.64 1lqk s ARG 33 N -0.98 0.07 0.32 0.00 3.52 -1.26 -0.60 118.95 120.02 1lqk s ARG 33 Ca -0.10 0.04 0.02 0.00 -0.13 0.00 0.00 55.73 55.56 1lqk s ARG 33 Cb -0.02 -0.16 -0.02 0.00 -1.56 0.00 0.00 34.95 33.19 1lqk s ARG 33 CO 0.08 -0.05 0.34 1.67 -0.81 0.00 0.00 175.30 176.53 1lqk s TRP 34 N 0.37 1.39 0.13 5.12 -2.14 0.47 -4.99 118.94 119.29 1lqk s TRP 34 Ca -0.03 -1.47 0.34 0.00 2.66 0.00 0.00 56.10 57.60 1lqk s TRP 34 Cb -0.05 -0.43 1.60 0.00 -3.10 0.00 0.00 33.47 31.48 1lqk s TRP 34 CO -0.01 -0.95 2.01 -0.44 -2.66 0.00 0.00 176.95 174.91 1lqk h ASP 35 N 2.19 0.00 -0.04 -2.66 3.32 -2.03 -2.69 116.42 114.51 1lqk h ASP 35 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1lqk h ASP 35 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1lqk h ASP 35 CO 0.39 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.91 1lqk n GLN 36 N -2.84 2.44 -3.21 3.56 6.02 -1.26 -4.96 117.38 117.13 1lqk n GLN 36 Ca -0.00 -1.95 0.00 0.00 -0.01 0.00 0.00 57.00 55.04 1lqk n GLN 36 Cb 0.19 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.23 1lqk n GLN 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1lqk n GLY 37 N -0.72 -1.30 3.34 1.08 0.00 -1.02 -1.13 105.19 105.45 1lqk n GLY 37 Ca 0.07 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 1lqk n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lqk s ALA 38 N -1.12 -1.12 -0.11 4.61 0.00 -0.44 -0.40 121.76 123.18 1lqk s ALA 38 Ca 0.00 0.53 0.03 0.00 0.00 0.00 0.00 51.96 52.52 1lqk s ALA 38 Cb 0.00 0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.33 1lqk s ALA 38 CO 0.00 -0.39 -0.21 0.71 0.00 0.00 0.00 175.76 175.87 1lqk s TYR 39 N -1.92 2.63 0.13 0.00 4.12 0.23 -0.69 117.35 121.85 1lqk s TYR 39 Ca -0.09 -1.00 0.03 0.00 0.02 0.00 0.00 57.07 56.03 1lqk s TYR 39 Cb -0.02 -1.76 -0.04 0.00 -1.52 0.00 0.00 41.96 38.62 1lqk s TYR 39 CO 0.02 -0.40 -0.07 -0.51 0.02 0.00 0.00 175.55 174.60 1lqk s LEU 40 N 0.42 2.46 -0.00 -1.29 1.02 0.18 -0.64 118.68 120.84 1lqk s LEU 40 Ca -0.15 -1.03 0.02 0.00 0.02 0.00 0.00 54.13 52.98 1lqk s LEU 40 Cb -0.17 -0.17 -0.01 0.00 0.02 0.00 0.00 46.19 45.86 1lqk s LEU 40 CO 0.07 -0.43 -0.06 -0.70 0.02 0.00 0.00 176.35 175.24 1lqk s GLU 41 N -3.81 0.49 -0.23 1.70 2.12 -0.29 -0.88 118.70 117.78 1lqk s GLU 41 Ca 0.15 -0.25 -0.03 0.00 0.36 0.00 0.00 54.97 55.19 1lqk s GLU 41 Cb 0.04 -0.46 0.08 0.00 0.26 0.00 0.00 34.13 34.05 1lqk s GLU 41 CO -0.02 0.12 0.08 -1.17 -0.54 0.00 0.00 175.26 173.74 1lqk s LEU 42 N -0.25 0.91 0.00 2.70 2.96 -0.55 -0.76 118.68 123.70 1lqk s LEU 42 Ca 0.01 -0.99 0.00 0.00 -0.22 0.00 0.00 54.13 52.93 1lqk s LEU 42 Cb -0.03 -0.46 0.00 0.00 0.50 0.00 0.00 46.19 46.20 1lqk s LEU 42 CO -0.00 -0.37 0.00 0.61 -1.32 0.00 0.00 176.35 175.27 1lqk n GLY 43 N 5.14 3.92 0.02 7.98 0.00 -1.26 -0.66 105.19 120.33 1lqk n GLY 43 Ca -0.07 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1lqk n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1lqk n SER 44 N 6.55 0.37 -4.68 1.61 3.41 -1.26 -4.90 113.62 114.72 1lqk n SER 44 Ca 0.00 -0.07 -0.43 0.00 -0.26 0.00 0.00 58.87 58.11 1lqk n SER 44 Cb 0.00 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 63.91 1lqk n SER 44 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1lqk s LEU 45 N -2.93 4.23 -0.33 1.04 2.96 0.17 -5.01 118.68 118.81 1lqk s LEU 45 Ca 0.14 1.59 -0.16 0.00 -0.22 0.00 0.00 54.13 55.47 1lqk s LEU 45 Cb 0.18 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.31 1lqk s LEU 45 CO 0.62 -0.53 0.42 0.86 -1.32 0.00 0.00 176.35 176.40 1lqk s TRP 46 N 2.33 3.20 -0.15 5.38 -0.00 -1.26 -1.48 118.94 126.96 1lqk s TRP 46 Ca 0.50 0.12 -0.05 0.00 -0.00 0.00 0.00 56.10 56.67 1lqk s TRP 46 Cb -0.19 -2.75 -0.03 0.00 -0.00 0.00 0.00 33.47 30.49 1lqk s TRP 46 CO 0.17 -0.44 0.00 -1.17 -0.00 0.00 0.00 176.95 175.51 1lqk s LEU 47 N 2.17 3.51 -0.16 5.86 2.96 -0.06 -1.42 118.68 131.54 1lqk s LEU 47 Ca 0.15 -0.00 -0.01 0.00 -0.22 0.00 0.00 54.13 54.05 1lqk s LEU 47 Cb -0.16 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 1lqk s LEU 47 CO 0.12 0.21 -0.13 0.00 -1.32 0.00 0.00 176.35 175.24 1lqk s LEU 49 N 0.74 4.00 -0.24 0.00 1.43 0.14 -0.67 118.68 124.08 1lqk s LEU 49 Ca -0.06 0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1lqk s LEU 49 Cb -0.15 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.06 1lqk s LEU 49 CO 0.01 0.14 -0.09 -0.55 0.23 0.00 0.00 176.35 176.10 1lqk s SER 50 N 0.58 4.13 0.09 2.29 0.15 -0.18 -1.33 113.70 119.43 1lqk s SER 50 Ca 0.06 -0.88 -0.31 0.00 0.70 0.00 0.00 55.95 55.52 1lqk s SER 50 Cb -0.12 -1.62 -0.09 0.00 -1.71 0.00 0.00 66.02 62.48 1lqk s SER 50 CO 0.01 -0.11 1.64 -0.60 1.20 0.00 0.00 173.24 175.38 1lqk s ARG 51 N 1.30 4.20 -0.38 5.44 3.52 -0.28 -0.91 118.95 131.84 1lqk s ARG 51 Ca 0.00 2.35 0.00 0.00 -0.13 0.00 0.00 55.73 57.95 1lqk s ARG 51 Cb -0.16 -3.50 0.13 0.00 -1.56 0.00 0.00 34.95 29.86 1lqk s ARG 51 CO -0.06 -0.71 0.20 -2.00 -0.81 0.00 0.00 175.30 171.92 1lqk s GLU 52 N 2.31 0.83 0.39 5.12 2.56 0.17 -4.87 118.70 125.21 1lqk s GLU 52 Ca 0.73 -1.50 -0.26 0.00 0.00 0.00 0.00 54.97 53.94 1lqk s GLU 52 Cb -0.41 -1.79 -0.11 0.00 2.00 0.00 0.00 34.13 33.83 1lqk s GLU 52 CO 0.32 -1.15 1.29 -2.30 -0.56 0.00 0.00 175.26 172.87 1lqk n PRO 53 N 4.05 2.05 -0.99 4.30 -0.02 -1.26 -1.82 135.00 141.30 1lqk n PRO 53 Ca 0.07 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1lqk n PRO 53 Cb 0.37 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1lqk n PRO 53 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1lqk n GLN 54 N 0.24 -1.61 -1.90 -0.52 3.00 -1.26 -4.93 117.38 110.40 1lqk n GLN 54 Ca 0.06 0.40 -0.42 0.00 -0.01 0.00 0.00 57.00 57.03 1lqk n GLN 54 Cb 0.38 -4.62 -0.03 0.00 0.00 0.00 0.00 30.24 25.97 1lqk n GLN 54 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 1lqk s TYR 55 N -1.19 2.99 -2.01 1.08 5.04 -0.76 -4.90 117.35 117.61 1lqk s TYR 55 Ca 0.00 0.56 0.20 0.00 -2.44 0.00 0.00 57.07 55.39 1lqk s TYR 55 Cb 0.00 -3.97 0.44 0.00 0.35 0.00 0.00 41.96 38.79 1lqk s TYR 55 CO 0.00 -3.60 1.37 0.41 -1.34 0.00 0.00 175.55 172.39 1lqk n GLY 56 N 3.81 1.96 0.00 8.97 0.00 -1.26 -4.59 105.19 114.08 1lqk n GLY 56 Ca 0.14 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1lqk n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lqk n GLY 57 N 1.32 -0.14 3.84 -0.02 0.00 -1.25 -4.93 105.19 104.02 1lqk n GLY 57 Ca 0.19 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 1lqk n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1lqk s PRO 58 N -2.01 2.92 1.03 1.61 0.04 -1.26 -5.06 135.00 132.28 1lqk s PRO 58 Ca 0.00 0.73 -0.17 0.00 0.04 0.00 0.00 61.00 61.60 1lqk s PRO 58 Cb 0.00 -2.01 0.23 0.00 0.04 0.00 0.00 34.50 32.77 1lqk s PRO 58 CO 0.00 -1.05 1.30 0.00 0.04 0.00 0.00 177.00 177.29 1lqk s ALA 59 N -3.17 1.86 -0.44 8.56 0.00 -1.26 -4.98 121.76 122.33 1lqk s ALA 59 Ca 0.58 -1.23 -0.25 0.00 0.00 0.00 0.00 51.96 51.06 1lqk s ALA 59 Cb -0.13 -2.77 0.02 0.00 0.00 0.00 0.00 23.12 20.25 1lqk s ALA 59 CO 0.54 -2.77 0.93 0.00 0.00 0.00 0.00 175.76 174.46 1lqk s ALA 60 N -3.75 3.27 0.24 0.00 0.00 -1.26 -4.96 121.76 115.30 1lqk s ALA 60 Ca 0.75 -0.73 -0.08 0.00 0.00 0.00 0.00 51.96 51.90 1lqk s ALA 60 Cb -0.04 -3.62 0.03 0.00 0.00 0.00 0.00 23.12 19.49 1lqk s ALA 60 CO 0.54 -1.97 0.46 -0.40 0.00 0.00 0.00 175.76 174.39 1lqk n ASP 61 N 7.10 -1.34 -1.00 0.00 5.68 -1.26 -5.05 116.55 120.68 1lqk n ASP 61 Ca 0.06 -2.04 0.07 0.00 -0.50 0.00 0.00 54.79 52.39 1lqk n ASP 61 Cb 0.48 2.26 0.23 0.00 -1.14 0.00 0.00 41.12 42.95 1lqk n ASP 61 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1lqk n TYR 62 N -0.34 0.79 -1.76 2.11 0.53 -1.26 -4.91 117.16 112.32 1lqk n TYR 62 Ca -0.04 -0.36 -0.42 0.00 -1.02 0.00 0.00 57.90 56.06 1lqk n TYR 62 Cb 0.37 -0.07 -0.03 0.00 -1.03 0.00 0.00 39.34 38.59 1lqk n TYR 62 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 1lqk s THR 63 N -1.49 2.09 0.12 -0.72 2.01 -1.26 -4.94 115.64 111.46 1lqk s THR 63 Ca 0.34 0.07 -0.25 0.00 0.31 0.00 0.00 61.69 62.15 1lqk s THR 63 Cb 0.19 -3.04 0.07 0.00 0.01 0.00 0.00 72.50 69.73 1lqk s THR 63 CO 0.20 0.01 0.81 -1.38 -0.69 0.00 0.00 174.62 173.57 1lqk s HIS 64 N 1.00 -0.31 -0.17 4.92 -3.43 -1.26 -4.51 115.29 111.53 1lqk s HIS 64 Ca 0.73 0.06 0.01 0.00 -0.80 0.00 0.00 55.06 55.05 1lqk s HIS 64 Cb -0.49 0.60 0.03 0.00 -1.43 0.00 0.00 32.58 31.29 1lqk s HIS 64 CO 0.34 -0.81 -0.13 0.71 -2.00 0.00 0.00 174.74 172.85 1lqk s TYR 65 N -3.45 2.27 -0.14 0.38 1.51 -0.19 -5.01 117.35 112.72 1lqk s TYR 65 Ca 0.07 -1.36 -0.03 0.00 -1.01 0.00 0.00 57.07 54.74 1lqk s TYR 65 Cb -0.02 -1.62 -0.03 0.00 -0.11 0.00 0.00 41.96 40.18 1lqk s TYR 65 CO -0.04 -0.70 -0.02 0.00 -1.11 0.00 0.00 175.55 173.68 1lqk s ALA 66 N 1.45 3.12 0.03 3.71 0.00 -1.26 -1.39 121.76 127.41 1lqk s ALA 66 Ca 0.03 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.20 1lqk s ALA 66 Cb -0.14 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 1lqk s ALA 66 CO -0.10 0.32 0.05 -0.06 0.00 0.00 0.00 175.76 175.97 1lqk s PHE 67 N -0.02 3.16 0.52 0.00 0.40 0.10 -4.95 117.98 117.20 1lqk s PHE 67 Ca 0.02 0.11 -0.13 0.00 -0.60 0.00 0.00 56.93 56.33 1lqk s PHE 67 Cb -0.13 -1.66 -0.06 0.00 0.51 0.00 0.00 43.02 41.67 1lqk s PHE 67 CO 0.02 0.51 0.94 0.20 0.70 0.00 0.00 175.22 177.59 1lqk s GLY 68 N -1.90 1.89 -0.07 4.36 0.00 -1.26 -0.72 107.32 109.62 1lqk s GLY 68 Ca 0.24 -0.01 -0.21 0.00 0.00 0.00 0.00 44.72 44.74 1lqk s GLY 68 CO 0.15 0.24 0.49 -1.50 0.00 0.00 0.00 173.10 172.48 1lqk s ILE 69 N -2.74 0.02 0.40 0.90 2.07 -0.98 -4.77 121.20 116.10 1lqk s ILE 69 Ca 0.56 -0.19 -0.25 0.00 -1.41 0.00 0.00 60.65 59.36 1lqk s ILE 69 Cb -0.10 -0.77 -0.08 0.00 0.13 0.00 0.00 42.46 41.63 1lqk s ILE 69 CO 0.38 -0.10 1.13 0.00 -1.91 0.00 0.00 174.94 174.44 1lqk s ALA 70 N -0.85 3.12 0.30 1.50 0.00 -1.26 -4.24 121.76 120.33 1lqk s ALA 70 Ca -0.09 0.88 0.05 0.00 0.00 0.00 0.00 51.96 52.80 1lqk s ALA 70 Cb -0.03 -3.35 0.76 0.00 0.00 0.00 0.00 23.12 20.50 1lqk s ALA 70 CO 0.05 -0.43 1.69 0.00 0.00 0.00 0.00 175.76 177.07 1lqk h ALA 71 N 2.59 1.48 0.00 0.00 0.00 -1.98 -1.05 119.26 120.30 1lqk h ALA 71 Ca -0.49 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1lqk h ALA 71 Cb 1.23 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1lqk h ALA 71 CO 0.62 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1lqk h ALA 72 N 1.72 1.00 0.00 0.00 0.00 -2.06 -2.81 119.26 117.12 1lqk h ALA 72 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1lqk h ALA 72 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1lqk h ALA 72 CO -0.54 0.00 -1.07 -0.25 0.00 0.00 0.00 179.25 177.39 1lqk n ASP 73 N -2.80 0.83 0.10 0.00 8.00 -0.43 -4.67 116.55 117.59 1lqk n ASP 73 Ca 0.01 -0.78 -0.12 0.00 0.71 0.00 0.00 54.79 54.61 1lqk n ASP 73 Cb 0.26 1.16 -0.05 0.00 -0.02 0.00 0.00 41.12 42.46 1lqk n ASP 73 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1lqk h PHE 74 N 0.00 -0.64 -0.70 1.24 3.57 -1.20 -1.50 116.94 117.70 1lqk h PHE 74 Ca 0.00 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1lqk h PHE 74 Cb 0.52 0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 1lqk h PHE 74 CO 0.00 -0.34 0.38 0.00 -2.23 0.00 0.00 178.31 176.12 1lqk h ALA 75 N 0.35 0.90 -0.17 2.41 0.00 -1.83 -1.41 119.26 119.51 1lqk h ALA 75 Ca 0.04 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1lqk h ALA 75 Cb 0.46 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1lqk h ALA 75 CO -0.16 0.42 -0.47 0.07 0.00 0.00 0.00 179.25 179.11 1lqk h ARG 76 N 0.96 0.45 0.09 0.00 0.11 -1.83 -0.64 114.38 113.52 1lqk h ARG 76 Ca 0.25 -0.25 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 1lqk h ARG 76 Cb 0.05 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.14 1lqk h ARG 76 CO -0.04 0.83 -0.04 0.35 0.10 0.00 0.00 179.97 181.17 1lqk h PHE 77 N 0.36 -0.11 -0.79 4.08 3.57 -0.98 -1.05 116.94 122.01 1lqk h PHE 77 Ca 0.02 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1lqk h PHE 77 Cb 0.97 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 1lqk h PHE 77 CO 0.03 -0.01 0.49 0.00 -2.23 0.00 0.00 178.31 176.59 1lqk h ALA 78 N 0.73 1.01 -0.56 2.41 0.00 -1.11 -1.15 119.26 120.59 1lqk h ALA 78 Ca -0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1lqk h ALA 78 Cb 0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1lqk h ALA 78 CO 0.02 0.47 0.06 0.00 0.00 0.00 0.00 179.25 179.80 1lqk h ALA 79 N 1.26 1.06 -0.17 0.00 0.00 -1.00 -0.90 119.26 119.50 1lqk h ALA 79 Ca 0.29 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1lqk h ALA 79 Cb -0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1lqk h ALA 79 CO -0.06 0.60 0.06 0.37 0.00 0.00 0.00 179.25 180.22 1lqk h GLN 80 N 0.85 0.26 -0.18 0.00 4.15 -0.71 -1.07 115.11 118.41 1lqk h GLN 80 Ca 0.17 -0.05 -0.14 0.00 0.77 0.00 0.00 58.65 59.39 1lqk h GLN 80 Cb 0.42 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1lqk h GLN 80 CO 0.01 0.37 -0.50 -0.07 -1.93 0.00 0.00 178.83 176.71 1lqk h LEU 81 N 0.10 0.53 -0.70 -2.39 4.07 -1.05 -1.58 115.31 114.29 1lqk h LEU 81 Ca 0.05 -0.27 -0.00 0.00 0.08 0.00 0.00 57.88 57.75 1lqk h LEU 81 Cb 0.21 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 1lqk h LEU 81 CO -0.00 0.94 0.42 0.03 -1.08 0.00 0.00 178.44 178.75 1lqk h ARG 82 N 0.38 0.95 -0.09 1.13 3.08 -1.03 -2.33 114.38 116.47 1lqk h ARG 82 Ca 0.02 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 1lqk h ARG 82 Cb 1.01 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1lqk h ARG 82 CO 0.09 0.68 -0.36 0.00 -1.07 0.00 0.00 179.97 179.31 1lqk h ALA 83 N 1.22 1.24 0.00 0.04 0.00 -0.82 -1.45 119.26 119.49 1lqk h ALA 83 Ca 0.25 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1lqk h ALA 83 Cb -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1lqk h ALA 83 CO -0.05 0.52 0.00 0.45 0.00 0.00 0.00 179.25 180.18 1lqk h HIS 84 N 0.15 0.00 0.00 0.00 3.86 -0.86 -3.47 115.15 114.83 1lqk h HIS 84 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1lqk h HIS 84 Cb 0.71 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.18 1lqk h HIS 84 CO 0.01 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.21 1lqk n GLY 85 N 0.46 1.08 3.77 2.45 0.00 -0.55 -5.08 105.19 107.31 1lqk n GLY 85 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1lqk n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lqk s VAL 86 N -2.00 2.66 0.00 1.61 1.01 -0.92 -4.99 120.40 117.78 1lqk s VAL 86 Ca 0.00 0.58 -0.21 0.00 0.00 0.00 0.00 61.98 62.34 1lqk s VAL 86 Cb 0.00 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 1lqk s VAL 86 CO 0.00 0.07 0.63 -0.60 0.00 0.00 0.00 175.10 175.20 1lqk s ARG 87 N -2.33 4.35 0.18 2.72 3.52 -1.26 -4.77 118.95 121.36 1lqk s ARG 87 Ca 0.58 0.79 -0.05 0.00 -0.13 0.00 0.00 55.73 56.92 1lqk s ARG 87 Cb -0.37 -3.35 -0.06 0.00 -1.56 0.00 0.00 34.95 29.62 1lqk s ARG 87 CO 0.47 0.35 0.43 -1.21 -0.81 0.00 0.00 175.30 174.52 1lqk s GLU 88 N -0.14 3.65 0.00 5.12 2.02 -1.26 -1.21 118.70 126.87 1lqk s GLU 88 Ca 0.32 -0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.28 1lqk s GLU 88 Cb -0.19 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.26 1lqk s GLU 88 CO 0.18 0.41 0.28 -2.67 0.02 0.00 0.00 175.26 173.48 1lqk n TRP 89 N -0.12 0.00 -3.60 1.61 4.27 -0.88 -4.92 117.44 113.80 1lqk n TRP 89 Ca -0.02 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.47 1lqk n TRP 89 Cb 0.52 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.41 1lqk n TRP 89 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 1lqk s LYS 90 N -0.33 0.70 -0.13 -2.67 2.20 -1.26 -5.07 119.74 113.18 1lqk s LYS 90 Ca 0.00 0.48 -0.05 0.00 -0.36 0.00 0.00 55.97 56.04 1lqk s LYS 90 Cb 0.00 0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 36.62 1lqk s LYS 90 CO 0.00 -0.16 0.04 -1.14 -0.36 0.00 0.00 175.35 173.73 1lqk s GLN 91 N -0.41 3.49 0.19 4.03 0.74 -1.26 -4.26 119.66 122.19 1lqk s GLN 91 Ca -0.02 -0.35 -0.31 0.00 0.05 0.00 0.00 55.36 54.74 1lqk s GLN 91 Cb -0.03 -3.02 -0.09 0.00 1.10 0.00 0.00 33.01 30.97 1lqk s GLN 91 CO 0.01 0.51 1.41 1.21 -0.55 0.00 0.00 175.29 177.88 1lqk s ASN 92 N -0.32 6.75 0.00 6.67 2.47 -1.26 -4.88 114.94 124.37 1lqk s ASN 92 Ca 0.08 2.51 0.00 0.00 0.42 0.00 0.00 52.86 55.87 1lqk s ASN 92 Cb -0.12 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.07 1lqk s ASN 92 CO 0.02 -0.66 0.10 0.54 -3.72 0.00 0.00 177.10 173.38 1lqk n ARG 93 N 3.01 1.19 -3.50 0.43 1.74 -1.26 -5.07 116.66 113.20 1lqk n ARG 93 Ca 0.09 -0.10 -0.21 0.00 -0.77 0.00 0.00 57.85 56.86 1lqk n ARG 93 Cb 0.41 -0.45 -0.02 0.00 -1.02 0.00 0.00 32.46 31.38 1lqk n ARG 93 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1lqk s SER 94 N -0.20 5.10 0.39 0.55 1.04 -1.26 -5.07 113.70 114.24 1lqk s SER 94 Ca 0.00 -0.74 -0.26 0.00 0.48 0.00 0.00 55.95 55.43 1lqk s SER 94 Cb 0.00 -0.49 -0.11 0.00 0.10 0.00 0.00 66.02 65.51 1lqk s SER 94 CO 0.00 -0.72 1.16 1.21 0.98 0.00 0.00 173.24 175.87 1lqk n GLU 95 N -1.62 1.72 0.00 4.02 0.00 -1.26 -4.71 120.64 118.78 1lqk n GLU 95 Ca 0.04 0.61 0.00 0.00 0.00 0.00 0.00 57.16 57.81 1lqk n GLU 95 Cb 0.62 -2.19 0.00 0.00 0.00 0.00 0.00 31.44 29.86 1lqk n GLU 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1lqk n GLY 96 N 0.97 -2.90 3.65 8.31 0.00 -1.26 -4.90 105.19 109.06 1lqk n GLY 96 Ca 0.07 -1.09 -0.46 0.00 0.00 0.00 0.00 46.02 44.54 1lqk n GLY 96 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lqk n ASP 97 N -0.73 2.46 -3.81 1.61 8.00 -1.25 -4.75 116.55 118.09 1lqk n ASP 97 Ca 0.00 1.14 -0.13 0.00 0.71 0.00 0.00 54.79 56.51 1lqk n ASP 97 Cb 0.00 -1.38 -0.13 0.00 -0.02 0.00 0.00 41.12 39.59 1lqk n ASP 97 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1lqk s SER 98 N 0.25 -0.12 -0.18 -2.24 0.01 -1.26 -0.88 113.70 109.29 1lqk s SER 98 Ca 0.70 0.25 0.01 0.00 1.31 0.00 0.00 55.95 58.22 1lqk s SER 98 Cb -0.70 0.23 0.02 0.00 0.21 0.00 0.00 66.02 65.78 1lqk s SER 98 CO 0.50 -0.07 -0.19 0.12 0.41 0.00 0.00 173.24 174.01 1lqk s PHE 99 N 0.36 2.79 -0.29 2.43 5.36 -0.51 -4.44 117.98 123.67 1lqk s PHE 99 Ca -0.02 -1.55 -0.04 0.00 -0.96 0.00 0.00 56.93 54.35 1lqk s PHE 99 Cb -0.04 -1.93 0.03 0.00 -0.34 0.00 0.00 43.02 40.75 1lqk s PHE 99 CO -0.01 -0.76 0.03 0.71 -1.46 0.00 0.00 175.22 173.72 1lqk s TYR 100 N 1.26 3.18 0.08 10.12 1.51 -1.26 -1.05 117.35 131.19 1lqk s TYR 100 Ca 0.04 -1.48 0.01 0.00 -1.01 0.00 0.00 57.07 54.63 1lqk s TYR 100 Cb -0.13 -2.16 -0.04 0.00 -0.11 0.00 0.00 41.96 39.51 1lqk s TYR 100 CO -0.11 -0.72 -0.06 -0.59 -1.11 0.00 0.00 175.55 172.97 1lqk s PHE 101 N 1.36 0.76 0.01 2.71 -0.12 -0.50 -2.08 117.98 120.12 1lqk s PHE 101 Ca -0.01 -0.86 -0.05 0.00 -0.05 0.00 0.00 56.93 55.95 1lqk s PHE 101 Cb -0.18 -0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 41.70 1lqk s PHE 101 CO -0.00 -0.19 0.25 -0.51 -0.05 0.00 0.00 175.22 174.72 1lqk s LEU 102 N -2.72 4.36 0.83 -1.99 1.43 -0.35 -0.64 118.68 119.60 1lqk s LEU 102 Ca 0.06 0.49 -0.08 0.00 -1.03 0.00 0.00 54.13 53.57 1lqk s LEU 102 Cb 0.03 -2.69 0.16 0.00 0.03 0.00 0.00 46.19 43.71 1lqk s LEU 102 CO -0.05 0.24 1.14 1.51 0.23 0.00 0.00 176.35 179.43 1lqk s ASP 103 N -1.83 3.82 0.58 2.29 -4.77 -0.41 -4.62 116.67 111.73 1lqk s ASP 103 Ca 0.28 -0.05 0.27 0.00 -3.30 0.00 0.00 52.55 49.76 1lqk s ASP 103 Cb -0.13 -0.20 1.60 0.00 -1.09 0.00 0.00 42.92 43.10 1lqk s ASP 103 CO 0.18 -2.24 2.10 -0.65 0.70 0.00 0.00 175.17 175.26 1lqk h PRO 104 N -1.03 0.00 -0.00 2.11 0.11 -1.92 -0.98 132.00 130.29 1lqk h PRO 104 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1lqk h PRO 104 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1lqk h PRO 104 CO 0.40 0.00 -0.54 -0.25 -0.21 0.00 0.00 178.00 177.40 1lqk n ASP 105 N -3.94 0.93 0.00 -2.05 8.00 -1.26 -4.95 116.55 113.27 1lqk n ASP 105 Ca 0.02 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.79 1lqk n ASP 105 Cb 0.32 0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 1lqk n ASP 105 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lqk n GLY 106 N 1.45 0.80 3.77 0.44 0.00 -0.37 -3.88 105.19 107.40 1lqk n GLY 106 Ca 0.07 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1lqk n GLY 106 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1lqk n HIS 107 N -2.39 2.90 -3.10 1.61 8.25 -1.26 -4.63 115.22 116.59 1lqk n HIS 107 Ca 0.00 0.45 -0.41 0.00 -0.26 0.00 0.00 57.72 57.50 1lqk n HIS 107 Cb 0.00 -2.51 -0.06 0.00 1.12 0.00 0.00 29.99 28.53 1lqk n HIS 107 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1lqk s ARG 108 N -2.17 3.90 0.30 -0.41 0.52 -1.26 -1.29 118.95 118.53 1lqk s ARG 108 Ca 0.55 0.31 0.10 0.00 -0.52 0.00 0.00 55.73 56.17 1lqk s ARG 108 Cb -0.47 -3.73 -0.05 0.00 0.52 0.00 0.00 34.95 31.22 1lqk s ARG 108 CO 0.62 -0.58 -0.02 -0.51 0.02 0.00 0.00 175.30 174.84 1lqk s LEU 109 N 2.63 3.03 -0.09 2.53 1.43 0.19 -1.02 118.68 127.39 1lqk s LEU 109 Ca 0.26 -0.84 -0.09 0.00 -1.03 0.00 0.00 54.13 52.43 1lqk s LEU 109 Cb -0.15 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.60 1lqk s LEU 109 CO 0.12 -0.10 0.25 -0.70 0.23 0.00 0.00 176.35 176.14 1lqk s GLU 110 N -3.68 0.32 -0.23 1.70 2.12 -0.49 -1.41 118.70 117.03 1lqk s GLU 110 Ca 0.33 0.29 -0.06 0.00 0.36 0.00 0.00 54.97 55.89 1lqk s GLU 110 Cb -0.04 0.15 -0.02 0.00 0.26 0.00 0.00 34.13 34.48 1lqk s GLU 110 CO 0.19 -0.04 0.02 0.00 -0.54 0.00 0.00 175.26 174.89 1lqk s ALA 111 N -0.01 3.03 -0.02 6.30 0.00 -0.21 0.01 121.76 130.87 1lqk s ALA 111 Ca -0.01 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 50.88 1lqk s ALA 111 Cb -0.02 -1.90 -0.00 0.00 0.00 0.00 0.00 23.12 21.20 1lqk s ALA 111 CO 0.01 -0.38 -0.11 -1.58 0.00 0.00 0.00 175.76 173.69 1lqk s HIS 112 N 1.42 1.03 -0.28 0.00 5.04 0.10 -1.43 115.29 121.17 1lqk s HIS 112 Ca 0.05 -0.23 -0.15 0.00 -1.54 0.00 0.00 55.06 53.20 1lqk s HIS 112 Cb -0.15 -0.69 -0.04 0.00 0.04 0.00 0.00 32.58 31.74 1lqk s HIS 112 CO 0.01 -0.06 0.36 0.08 -2.34 0.00 0.00 174.74 172.79 1lqk s VAL 113 N -0.07 5.18 -1.29 0.89 1.01 -0.06 -2.32 120.40 123.75 1lqk s VAL 113 Ca 0.01 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1lqk s VAL 113 Cb -0.06 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1lqk s VAL 113 CO 0.00 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1lqk n GLY 114 N 4.75 0.91 2.50 4.51 0.00 -1.26 -3.84 105.19 112.75 1lqk n GLY 114 Ca -0.09 -2.23 -0.11 0.00 0.00 0.00 0.00 46.02 43.59 1lqk n GLY 114 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1lqk n ASP 115 N 0.77 -0.96 -0.35 1.61 3.85 -1.26 -5.00 116.55 115.21 1lqk n ASP 115 Ca 0.00 -2.44 -0.00 0.00 -0.71 0.00 0.00 54.79 51.64 1lqk n ASP 115 Cb 0.00 1.83 0.13 0.00 -1.35 0.00 0.00 41.12 41.73 1lqk n ASP 115 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1lqk h LEU 116 N 0.00 1.02 -0.53 -2.12 5.85 -2.01 -1.58 115.31 115.95 1lqk h LEU 116 Ca -0.20 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.36 1lqk h LEU 116 Cb 0.89 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1lqk h LEU 116 CO 0.27 0.70 -0.47 0.03 -0.34 0.00 0.00 178.44 178.63 1lqk h ARG 117 N 1.19 0.65 -0.41 1.25 2.47 -1.99 0.69 114.38 118.23 1lqk h ARG 117 Ca 0.38 -0.37 -0.09 0.00 -1.26 0.00 0.00 59.98 58.65 1lqk h ARG 117 Cb 0.02 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 1lqk h ARG 117 CO -0.13 0.98 -0.11 0.66 0.56 0.00 0.00 179.97 181.93 1lqk h SER 118 N 0.52 0.71 -0.07 7.04 4.64 -1.89 -0.67 113.55 123.84 1lqk h SER 118 Ca 0.03 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 1lqk h SER 118 Cb 1.01 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1lqk h SER 118 CO 0.10 0.85 0.02 -0.09 -0.87 0.00 0.00 176.83 176.84 1lqk h ARG 119 N 0.66 0.11 -0.81 4.77 9.65 -1.01 -2.09 114.38 125.66 1lqk h ARG 119 Ca 0.11 -0.03 0.04 0.00 -1.10 0.00 0.00 59.98 59.01 1lqk h ARG 119 Cb 0.57 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.08 1lqk h ARG 119 CO 0.04 0.29 0.51 -0.07 2.80 0.00 0.00 179.97 183.54 1lqk h LEU 120 N -0.09 0.83 -0.61 3.80 3.38 -0.60 -0.22 115.31 121.80 1lqk h LEU 120 Ca 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1lqk h LEU 120 Cb 0.23 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1lqk h LEU 120 CO -0.00 0.56 0.16 0.00 0.09 0.00 0.00 178.44 179.24 1lqk h ALA 121 N 1.36 0.81 -0.25 1.53 0.00 -1.01 -0.98 119.26 120.73 1lqk h ALA 121 Ca 0.34 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1lqk h ALA 121 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1lqk h ALA 121 CO -0.14 0.51 -0.49 0.00 0.00 0.00 0.00 179.25 179.13 1lqk h ALA 122 N 1.05 0.67 -0.28 0.00 0.00 -1.06 -3.04 119.26 116.60 1lqk h ALA 122 Ca 0.19 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1lqk h ALA 122 Cb 0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1lqk h ALA 122 CO 0.00 0.68 -0.17 0.00 0.00 0.00 0.00 179.25 179.76 1lqk h ARG 124 N 0.45 0.45 0.00 0.00 3.08 -1.07 0.46 114.38 117.75 1lqk h ARG 124 Ca 0.08 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.94 1lqk h ARG 124 Cb 0.55 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1lqk h ARG 124 CO 0.04 0.38 -0.77 1.96 -1.07 0.00 0.00 179.97 180.51 1lqk h GLN 125 N 0.46 0.00 -1.59 0.04 1.08 -1.36 -3.41 115.11 110.32 1lqk h GLN 125 Ca 0.11 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.86 1lqk h GLN 125 Cb 0.10 0.00 -0.31 0.00 -0.05 0.00 0.00 27.48 27.22 1lqk h GLN 125 CO -0.01 0.56 -0.87 0.00 -0.95 0.00 0.00 178.83 177.55 1lqk n ALA 126 N -2.28 1.25 -1.81 3.87 0.00 -0.22 -5.13 120.51 116.19 1lqk n ALA 126 Ca -0.01 -2.62 -0.34 0.00 0.00 0.00 0.00 53.44 50.48 1lqk n ALA 126 Cb 0.80 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 19.19 1lqk n ALA 126 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1lqk s PRO 127 N -0.20 4.25 0.87 0.00 0.04 0.10 -4.42 135.00 135.64 1lqk s PRO 127 Ca 0.33 1.17 -0.11 0.00 0.04 0.00 0.00 61.00 62.43 1lqk s PRO 127 Cb 0.12 -2.26 0.12 0.00 0.04 0.00 0.00 34.50 32.52 1lqk s PRO 127 CO -0.15 -0.01 1.11 0.71 0.04 0.00 0.00 177.00 178.69 1lqk s TYR 128 N -2.09 2.08 0.20 0.56 4.12 -1.26 -4.94 117.35 116.02 1lqk s TYR 128 Ca 0.61 1.58 -0.32 0.00 0.02 0.00 0.00 57.07 58.96 1lqk s TYR 128 Cb -0.11 -3.18 -0.13 0.00 -1.52 0.00 0.00 41.96 37.02 1lqk s TYR 128 CO 0.15 -2.42 1.64 0.00 0.02 0.00 0.00 175.55 174.95 1lqk n ALA 129 N -3.95 2.20 -1.27 3.71 0.00 -1.26 -2.08 120.51 117.87 1lqk n ALA 129 Ca 0.09 0.42 -0.09 0.00 0.00 0.00 0.00 53.44 53.86 1lqk n ALA 129 Cb 0.53 -2.44 -0.04 0.00 0.00 0.00 0.00 19.45 17.50 1lqk n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lqk n GLY 130 N 3.50 1.06 3.74 0.00 0.00 -1.26 -4.97 105.19 107.26 1lqk n GLY 130 Ca 0.15 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1lqk n GLY 130 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1lqk s MET 131 N -2.60 4.63 -0.02 1.61 0.00 -0.88 -5.02 119.30 117.02 1lqk s MET 131 Ca 0.00 1.73 0.02 0.00 0.00 0.00 0.00 55.69 57.43 1lqk s MET 131 Cb 0.00 -3.25 0.01 0.00 0.00 0.00 0.00 34.83 31.58 1lqk s MET 131 CO 0.00 0.15 -0.05 1.03 0.00 0.00 0.00 175.02 176.14 1lqk s ARG 132 N -0.73 0.62 -0.00 4.11 1.81 -1.26 -4.99 118.95 118.50 1lqk s ARG 132 Ca 0.47 -0.16 0.03 0.00 -1.72 0.00 0.00 55.73 54.36 1lqk s ARG 132 Cb -0.30 -0.62 -0.03 0.00 -0.45 0.00 0.00 34.95 33.55 1lqk s ARG 132 CO 0.36 0.04 -0.08 -0.06 -0.68 0.00 0.00 175.30 174.88 1lqk s PHE 133 N 0.32 2.85 0.00 -0.53 0.40 -1.26 -5.20 117.98 114.56 1lqk s PHE 133 Ca -0.04 -0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.23 1lqk s PHE 133 Cb -0.08 -1.60 0.00 0.00 0.51 0.00 0.00 43.02 41.85 1lqk s PHE 133 CO -0.00 0.35 0.00 0.00 0.70 0.00 0.00 175.22 176.26