#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqo s LEU 2 N 0.00 3.42 -0.00 4.03 1.43 -1.26 -5.00 118.68 121.30 1lqo s LEU 2 Ca 0.00 1.91 0.05 0.00 -1.03 0.00 0.00 54.13 55.06 1lqo s LEU 2 Cb 0.00 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.61 1lqo s LEU 2 CO 0.00 -1.44 0.19 0.35 0.23 0.00 0.00 176.35 175.68 1lqo n THR 3 N -2.30 0.00 -2.26 5.49 -2.24 -1.26 -5.12 114.28 106.59 1lqo n THR 3 Ca 0.10 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1lqo n THR 3 Cb 0.52 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 1lqo n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lqo n GLY 4 N 1.54 -0.24 3.72 3.38 0.00 -1.26 -5.09 105.19 107.23 1lqo n GLY 4 Ca 0.00 -1.51 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 1lqo n GLY 4 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1lqo s LEU 5 N 0.00 4.28 -0.23 0.99 2.96 -1.26 -4.95 118.68 120.46 1lqo s LEU 5 Ca 0.00 0.94 -0.15 0.00 -0.22 0.00 0.00 54.13 54.69 1lqo s LEU 5 Cb 0.00 -2.83 -0.17 0.00 0.50 0.00 0.00 46.19 43.69 1lqo s LEU 5 CO 0.00 -0.06 -0.04 -3.20 -1.32 0.00 0.00 176.35 171.73 1lqo n ASN 6 N 3.81 1.93 -3.51 3.68 2.85 -1.26 -5.01 115.26 117.76 1lqo n ASN 6 Ca -0.05 0.32 -0.13 0.00 -0.11 0.00 0.00 54.58 54.61 1lqo n ASN 6 Cb 0.51 -0.85 -0.04 0.00 1.24 0.00 0.00 39.78 40.64 1lqo n ASN 6 CO 0.00 0.00 0.00 -1.38 -2.11 0.00 0.00 177.26 173.77 1lqo s HIS 7 N -2.45 -0.48 -0.18 1.20 -3.43 -1.26 -4.47 115.29 104.21 1lqo s HIS 7 Ca -0.33 0.44 -0.03 0.00 -0.80 0.00 0.00 55.06 54.34 1lqo s HIS 7 Cb 0.10 0.43 -0.01 0.00 -1.43 0.00 0.00 32.58 31.67 1lqo s HIS 7 CO 0.57 -0.73 -0.07 -1.17 -2.00 0.00 0.00 174.74 171.33 1lqo s LEU 8 N -2.28 2.87 -0.14 5.38 2.96 -0.79 -5.04 118.68 121.64 1lqo s LEU 8 Ca -0.03 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.55 1lqo s LEU 8 Cb -0.00 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 1lqo s LEU 8 CO -0.06 0.06 -0.15 -0.89 -1.32 0.00 0.00 176.35 173.99 1lqo s THR 9 N 0.98 2.78 -0.07 3.68 2.01 -1.26 -0.71 115.64 123.05 1lqo s THR 9 Ca -0.01 -0.75 0.04 0.00 0.31 0.00 0.00 61.69 61.29 1lqo s THR 9 Cb -0.15 -2.16 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 1lqo s THR 9 CO -0.00 0.52 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.49 1lqo s LEU 10 N 0.59 2.38 0.19 4.42 1.43 -0.27 -4.98 118.68 122.43 1lqo s LEU 10 Ca -0.09 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.33 1lqo s LEU 10 Cb -0.16 -1.47 -0.08 0.00 0.03 0.00 0.00 46.19 44.52 1lqo s LEU 10 CO 0.03 0.26 1.19 0.00 0.23 0.00 0.00 176.35 178.07 1lqo s ALA 11 N -0.27 3.43 -0.01 4.21 0.00 -1.26 -1.49 121.76 126.38 1lqo s ALA 11 Ca 0.00 0.95 0.02 0.00 0.00 0.00 0.00 51.96 52.93 1lqo s ALA 11 Cb -0.13 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1lqo s ALA 11 CO 0.03 -0.36 -0.06 0.14 0.00 0.00 0.00 175.76 175.51 1lqo s VAL 12 N -0.08 0.52 0.05 0.00 -7.23 -0.32 -4.90 120.40 108.44 1lqo s VAL 12 Ca 0.52 -0.24 -0.14 0.00 -1.81 0.00 0.00 61.98 60.32 1lqo s VAL 12 Cb -0.32 -0.47 -0.29 0.00 0.56 0.00 0.00 36.38 35.85 1lqo s VAL 12 CO 0.37 0.17 1.10 0.00 -0.31 0.00 0.00 175.10 176.42 1lqo h ALA 13 N 6.30 -0.01 -3.56 1.32 0.00 -1.82 -0.41 119.26 121.07 1lqo h ALA 13 Ca -0.32 -0.78 -0.65 0.00 0.00 0.00 0.00 54.91 53.16 1lqo h ALA 13 Cb 1.18 0.11 -0.40 0.00 0.00 0.00 0.00 17.79 18.68 1lqo h ALA 13 CO 0.49 0.70 -0.68 0.34 0.00 0.00 0.00 179.25 180.10 1lqo s ASP 14 N -7.43 4.59 0.13 0.00 -1.08 -1.26 -4.34 116.67 107.28 1lqo s ASP 14 Ca -0.09 -2.50 -0.19 0.00 -0.52 0.00 0.00 52.55 49.25 1lqo s ASP 14 Cb 0.06 -1.64 -0.03 0.00 -1.46 0.00 0.00 42.92 39.85 1lqo s ASP 14 CO 0.93 -0.32 1.77 0.25 0.52 0.00 0.00 175.17 178.32 1lqo h LEU 15 N 7.17 0.19 -0.62 -1.34 5.85 -1.99 -1.49 115.31 123.08 1lqo h LEU 15 Ca -0.06 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.80 1lqo h LEU 15 Cb 0.97 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.88 1lqo h LEU 15 CO 0.59 0.14 0.11 -0.65 -0.34 0.00 0.00 178.44 178.29 1lqo h PRO 16 N 0.26 0.22 -0.37 5.25 0.11 -1.99 -1.69 132.00 133.80 1lqo h PRO 16 Ca 0.10 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 1lqo h PRO 16 Cb 0.02 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 1lqo h PRO 16 CO -0.06 0.15 0.16 0.00 -0.21 0.00 0.00 178.00 178.03 1lqo h ALA 17 N 1.51 0.47 -0.50 -0.75 0.00 -1.86 -1.68 119.26 116.45 1lqo h ALA 17 Ca 0.33 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1lqo h ALA 17 Cb 0.51 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1lqo h ALA 17 CO -0.44 0.06 -0.14 0.77 0.00 0.00 0.00 179.25 179.50 1lqo h SER 18 N 0.45 0.96 0.08 0.00 0.02 -1.09 -1.38 113.55 112.58 1lqo h SER 18 Ca 0.12 -0.32 0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1lqo h SER 18 Cb 0.16 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1lqo h SER 18 CO -0.01 1.09 -0.10 0.40 -1.14 0.00 0.00 176.83 177.07 1lqo h ILE 19 N 0.84 0.77 -0.93 3.27 2.04 -1.16 -0.49 117.51 121.86 1lqo h ILE 19 Ca 0.13 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.06 1lqo h ILE 19 Cb 0.69 0.77 -0.07 0.00 -0.74 0.00 0.00 36.82 37.47 1lqo h ILE 19 CO 0.05 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.79 1lqo h ALA 20 N 0.70 1.30 0.35 1.87 0.00 -1.14 -0.85 119.26 121.49 1lqo h ALA 20 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1lqo h ALA 20 Cb 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1lqo h ALA 20 CO -0.04 0.35 -0.17 0.35 0.00 0.00 0.00 179.25 179.74 1lqo h PHE 21 N 1.06 -0.43 -0.42 0.00 3.57 -0.89 -1.78 116.94 118.05 1lqo h PHE 21 Ca 0.41 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.75 1lqo h PHE 21 Cb 0.19 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1lqo h PHE 21 CO -0.02 -0.23 -0.32 1.88 -2.23 0.00 0.00 178.31 177.39 1lqo h TYR 22 N -0.53 1.14 0.21 0.41 -1.99 -0.86 -2.09 116.97 113.26 1lqo h TYR 22 Ca -0.05 -0.32 -0.01 0.00 2.00 0.00 0.00 58.73 60.35 1lqo h TYR 22 Cb 0.40 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 38.88 1lqo h TYR 22 CO -0.04 1.15 -0.10 -0.09 -0.00 0.00 0.00 178.16 179.08 1lqo h ARG 23 N 0.80 -0.27 0.16 4.88 2.43 -1.24 0.23 114.38 121.37 1lqo h ARG 23 Ca 0.08 0.02 -0.31 0.00 -0.81 0.00 0.00 59.98 58.95 1lqo h ARG 23 Cb 0.92 0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.54 1lqo h ARG 23 CO 0.09 -0.02 -1.49 -0.44 -1.51 0.00 0.00 179.97 176.59 1lqo h ASP 24 N -1.02 0.54 0.25 -3.80 3.32 -1.46 -1.25 116.42 113.00 1lqo h ASP 24 Ca -0.03 -0.67 -0.34 0.00 0.02 0.00 0.00 57.03 56.01 1lqo h ASP 24 Cb 0.38 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1lqo h ASP 24 CO 0.05 1.55 -1.83 0.25 -1.72 0.00 0.00 179.24 177.54 1lqo h LEU 25 N 0.09 0.39 0.00 1.55 5.85 -1.37 -3.38 115.31 118.45 1lqo h LEU 25 Ca -0.24 -0.74 0.00 0.00 0.84 0.00 0.00 57.88 57.74 1lqo h LEU 25 Cb 2.06 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.96 1lqo h LEU 25 CO 0.20 1.65 -1.09 0.18 -0.34 0.00 0.00 178.44 179.05 1lqo n LEU 26 N -3.44 0.63 0.00 2.25 4.32 -0.93 -5.01 117.00 114.83 1lqo n LEU 26 Ca -0.26 -0.38 0.00 0.00 -0.02 0.00 0.00 56.01 55.36 1lqo n LEU 26 Cb 1.05 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.85 1lqo n LEU 26 CO 0.46 0.16 0.00 0.61 -1.22 0.00 0.00 177.39 177.40 1lqo n GLY 27 N 1.43 0.41 3.80 -0.72 0.00 -0.48 -4.96 105.19 104.69 1lqo n GLY 27 Ca 0.02 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 1lqo n GLY 27 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lqo s PHE 28 N -2.00 3.04 -0.13 1.61 0.40 -0.02 -4.95 117.98 115.93 1lqo s PHE 28 Ca 0.00 1.53 -0.19 0.00 -0.60 0.00 0.00 56.93 57.67 1lqo s PHE 28 Cb 0.00 -3.01 -0.04 0.00 0.51 0.00 0.00 43.02 40.49 1lqo s PHE 28 CO 0.00 -0.92 0.51 0.50 0.70 0.00 0.00 175.22 176.01 1lqo s ARG 29 N -3.75 4.32 -0.39 0.44 3.52 -0.11 -4.27 118.95 118.71 1lqo s ARG 29 Ca 0.64 0.49 -0.29 0.00 -0.13 0.00 0.00 55.73 56.45 1lqo s ARG 29 Cb -0.15 -3.47 0.02 0.00 -1.56 0.00 0.00 34.95 29.79 1lqo s ARG 29 CO 0.30 0.07 1.10 -1.17 -0.81 0.00 0.00 175.30 174.78 1lqo s LEU 30 N 0.90 3.81 -0.08 -0.88 2.96 -1.26 -0.61 118.68 123.51 1lqo s LEU 30 Ca 0.27 0.79 0.07 0.00 -0.22 0.00 0.00 54.13 55.04 1lqo s LEU 30 Cb -0.15 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.76 1lqo s LEU 30 CO 0.11 -1.03 0.50 -0.62 -1.32 0.00 0.00 176.35 173.99 1lqo n GLU 31 N 7.27 0.67 -3.53 1.98 -0.58 -0.33 -4.98 120.64 121.14 1lqo n GLU 31 Ca 0.12 0.26 -0.10 0.00 -0.42 0.00 0.00 57.16 57.02 1lqo n GLU 31 Cb 0.48 -1.74 -0.03 0.00 -0.57 0.00 0.00 31.44 29.58 1lqo n GLU 31 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1lqo s ALA 32 N -2.58 -1.86 -0.03 0.62 0.00 -1.02 -4.99 121.76 111.90 1lqo s ALA 32 Ca -0.11 1.25 -0.04 0.00 0.00 0.00 0.00 51.96 53.06 1lqo s ALA 32 Cb 0.07 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.18 1lqo s ALA 32 CO 0.80 -0.53 0.11 0.50 0.00 0.00 0.00 175.76 176.64 1lqo s ARG 33 N -2.26 0.18 0.25 0.00 3.52 -1.26 -0.60 118.95 118.79 1lqo s ARG 33 Ca 0.01 0.04 0.01 0.00 -0.13 0.00 0.00 55.73 55.67 1lqo s ARG 33 Cb -0.01 0.08 -0.00 0.00 -1.56 0.00 0.00 34.95 33.46 1lqo s ARG 33 CO -0.04 -0.03 0.31 -2.67 -0.81 0.00 0.00 175.30 172.06 1lqo n TRP 34 N 2.76 -0.97 0.29 5.12 2.14 0.54 -4.97 117.44 122.34 1lqo n TRP 34 Ca -0.14 -1.85 0.17 0.00 2.07 0.00 0.00 57.50 57.75 1lqo n TRP 34 Cb 0.59 0.34 0.84 0.00 -0.81 0.00 0.00 31.31 32.27 1lqo n TRP 34 CO 0.00 0.00 0.00 0.38 2.07 0.00 0.00 177.69 180.14 1lqo h ASP 35 N 1.47 0.00 0.00 -0.67 2.03 -2.03 -2.90 116.42 114.32 1lqo h ASP 35 Ca -0.19 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.11 1lqo h ASP 35 Cb 0.88 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.38 1lqo h ASP 35 CO 0.26 0.05 -0.04 0.00 -1.03 0.00 0.00 179.24 178.49 1lqo n GLN 36 N -3.28 1.37 -3.53 4.15 1.13 -1.26 -4.96 117.38 110.99 1lqo n GLN 36 Ca -0.01 -2.31 0.00 0.00 -1.94 0.00 0.00 57.00 52.74 1lqo n GLN 36 Cb 0.22 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.22 1lqo n GLN 36 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1lqo n GLY 37 N -1.20 -1.56 3.40 1.08 0.00 -1.10 -1.47 105.19 104.34 1lqo n GLY 37 Ca 0.13 -1.08 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 1lqo n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lqo s ALA 38 N -1.31 -1.35 -0.16 4.61 0.00 -0.71 -0.34 121.76 122.50 1lqo s ALA 38 Ca 0.00 0.65 0.02 0.00 0.00 0.00 0.00 51.96 52.62 1lqo s ALA 38 Cb 0.00 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.48 1lqo s ALA 38 CO 0.00 -0.49 -0.20 0.71 0.00 0.00 0.00 175.76 175.78 1lqo s TYR 39 N -2.31 2.73 0.19 0.00 4.12 0.23 -0.54 117.35 121.78 1lqo s TYR 39 Ca -0.06 -1.47 0.10 0.00 0.02 0.00 0.00 57.07 55.67 1lqo s TYR 39 Cb -0.01 -1.87 -0.04 0.00 -1.52 0.00 0.00 41.96 38.52 1lqo s TYR 39 CO -0.01 -0.70 -0.22 -0.51 0.02 0.00 0.00 175.55 174.14 1lqo s LEU 40 N 1.05 2.45 -0.02 -1.29 1.02 0.67 -1.18 118.68 121.38 1lqo s LEU 40 Ca -0.01 -0.88 0.04 0.00 0.02 0.00 0.00 54.13 53.30 1lqo s LEU 40 Cb -0.14 -1.05 -0.01 0.00 0.02 0.00 0.00 46.19 45.01 1lqo s LEU 40 CO -0.07 0.06 -0.12 -0.70 0.02 0.00 0.00 176.35 175.54 1lqo s GLU 41 N -2.78 1.07 -0.23 1.70 2.12 0.22 -0.66 118.70 120.14 1lqo s GLU 41 Ca 0.20 -0.43 -0.04 0.00 0.36 0.00 0.00 54.97 55.05 1lqo s GLU 41 Cb -0.07 -1.01 0.08 0.00 0.26 0.00 0.00 34.13 33.39 1lqo s GLU 41 CO 0.09 0.23 0.11 -1.17 -0.54 0.00 0.00 175.26 173.99 1lqo s LEU 42 N -0.16 0.42 0.00 2.70 2.96 -0.44 -0.93 118.68 123.23 1lqo s LEU 42 Ca 0.02 -0.92 0.00 0.00 -0.22 0.00 0.00 54.13 53.01 1lqo s LEU 42 Cb -0.06 -0.28 0.00 0.00 0.50 0.00 0.00 46.19 46.35 1lqo s LEU 42 CO -0.00 -0.39 0.00 0.61 -1.32 0.00 0.00 176.35 175.25 1lqo n GLY 43 N 5.27 3.71 0.78 7.98 0.00 -1.26 -0.94 105.19 120.73 1lqo n GLY 43 Ca -0.06 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.05 1lqo n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1lqo n SER 44 N 7.76 2.47 -4.66 1.61 3.41 -1.26 -4.91 113.62 118.03 1lqo n SER 44 Ca 0.00 -1.81 -0.43 0.00 -0.26 0.00 0.00 58.87 56.37 1lqo n SER 44 Cb 0.00 0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 1lqo n SER 44 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1lqo s LEU 45 N -2.03 4.20 -0.39 1.04 2.96 -0.11 -5.00 118.68 119.35 1lqo s LEU 45 Ca 0.31 1.74 -0.17 0.00 -0.22 0.00 0.00 54.13 55.79 1lqo s LEU 45 Cb 0.20 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.36 1lqo s LEU 45 CO 0.33 -0.74 0.42 0.86 -1.32 0.00 0.00 176.35 175.90 1lqo s TRP 46 N 3.30 3.18 -0.16 5.38 -0.00 -1.26 -1.32 118.94 128.06 1lqo s TRP 46 Ca 0.56 -0.24 -0.06 0.00 -0.00 0.00 0.00 56.10 56.36 1lqo s TRP 46 Cb -0.23 -2.83 -0.04 0.00 -0.00 0.00 0.00 33.47 30.37 1lqo s TRP 46 CO 0.16 -0.61 0.05 -1.17 -0.00 0.00 0.00 176.95 175.38 1lqo s LEU 47 N 2.12 3.79 -0.09 5.86 2.96 0.16 -1.89 118.68 131.60 1lqo s LEU 47 Ca 0.12 0.11 0.03 0.00 -0.22 0.00 0.00 54.13 54.17 1lqo s LEU 47 Cb -0.17 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 1lqo s LEU 47 CO 0.13 0.22 -0.20 0.00 -1.32 0.00 0.00 176.35 175.19 1lqo s LEU 49 N 0.01 3.17 -0.27 0.00 1.43 0.30 -1.11 118.68 122.21 1lqo s LEU 49 Ca -0.07 -0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 52.80 1lqo s LEU 49 Cb -0.15 -1.78 0.03 0.00 0.03 0.00 0.00 46.19 44.32 1lqo s LEU 49 CO 0.05 0.10 -0.03 -0.55 0.23 0.00 0.00 176.35 176.14 1lqo s SER 50 N 0.80 4.58 0.09 2.29 0.15 -0.55 -1.73 113.70 119.33 1lqo s SER 50 Ca -0.01 -1.03 -0.31 0.00 0.70 0.00 0.00 55.95 55.30 1lqo s SER 50 Cb -0.14 -1.69 -0.08 0.00 -1.71 0.00 0.00 66.02 62.40 1lqo s SER 50 CO 0.02 -0.18 1.49 -0.60 1.20 0.00 0.00 173.24 175.17 1lqo s ARG 51 N 1.30 4.26 -0.35 5.44 3.52 -0.55 -1.18 118.95 131.40 1lqo s ARG 51 Ca -0.02 2.17 0.00 0.00 -0.13 0.00 0.00 55.73 57.76 1lqo s ARG 51 Cb -0.18 -3.39 0.14 0.00 -1.56 0.00 0.00 34.95 29.97 1lqo s ARG 51 CO -0.03 -0.57 0.24 -1.21 -0.81 0.00 0.00 175.30 172.91 1lqo s GLU 52 N 1.77 0.54 0.49 5.12 2.02 -0.16 -4.88 118.70 123.60 1lqo s GLU 52 Ca 0.68 -1.20 0.26 0.00 0.02 0.00 0.00 54.97 54.73 1lqo s GLU 52 Cb -0.38 -1.18 1.33 0.00 0.10 0.00 0.00 34.13 34.00 1lqo s GLU 52 CO 0.30 -1.20 1.88 -1.35 0.02 0.00 0.00 175.26 174.91 1lqo h PRO 53 N 7.10 0.14 -0.53 0.39 0.11 -1.79 0.50 132.00 137.93 1lqo h PRO 53 Ca 0.04 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1lqo h PRO 53 Cb 0.99 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1lqo h PRO 53 CO 0.26 0.09 0.00 1.04 -0.21 0.00 0.00 178.00 179.18 1lqo n GLN 54 N -4.37 2.40 -1.90 1.05 1.13 -1.26 -4.81 117.38 109.62 1lqo n GLN 54 Ca 0.19 -2.16 -0.42 0.00 -1.94 0.00 0.00 57.00 52.67 1lqo n GLN 54 Cb 0.85 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.69 1lqo n GLN 54 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1lqo s TYR 55 N -1.30 2.93 -0.19 1.08 5.04 0.17 -4.92 117.35 120.15 1lqo s TYR 55 Ca 0.40 0.81 0.16 0.00 -2.44 0.00 0.00 57.07 56.00 1lqo s TYR 55 Cb 0.22 -3.95 0.55 0.00 0.35 0.00 0.00 41.96 39.12 1lqo s TYR 55 CO 0.29 -3.25 1.45 0.41 -1.34 0.00 0.00 175.55 173.11 1lqo n GLY 56 N 2.64 4.06 0.00 8.97 0.00 -1.26 -4.63 105.19 114.97 1lqo n GLY 56 Ca 0.09 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1lqo n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lqo n GLY 57 N -0.51 -1.86 3.69 -0.02 0.00 -1.25 -4.98 105.19 100.26 1lqo n GLY 57 Ca 0.23 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 1lqo n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1lqo s PRO 58 N -2.92 0.77 0.98 1.61 0.04 -1.26 -5.05 135.00 129.17 1lqo s PRO 58 Ca 0.00 0.66 -0.15 0.00 0.04 0.00 0.00 61.00 61.54 1lqo s PRO 58 Cb 0.00 -1.77 0.19 0.00 0.04 0.00 0.00 34.50 32.96 1lqo s PRO 58 CO 0.00 -2.53 1.21 0.00 0.04 0.00 0.00 177.00 175.72 1lqo s ALA 59 N -2.95 1.82 -0.56 8.56 0.00 -1.26 -4.98 121.76 122.40 1lqo s ALA 59 Ca 0.65 -0.90 -0.25 0.00 0.00 0.00 0.00 51.96 51.45 1lqo s ALA 59 Cb -0.18 -2.89 0.04 0.00 0.00 0.00 0.00 23.12 20.08 1lqo s ALA 59 CO 0.57 -2.54 1.02 0.00 0.00 0.00 0.00 175.76 174.81 1lqo s ALA 60 N -3.50 3.11 0.15 0.00 0.00 -1.26 -4.95 121.76 115.31 1lqo s ALA 60 Ca 0.69 -1.09 -0.04 0.00 0.00 0.00 0.00 51.96 51.52 1lqo s ALA 60 Cb -0.09 -3.83 0.01 0.00 0.00 0.00 0.00 23.12 19.22 1lqo s ALA 60 CO 0.53 -2.46 0.26 -0.40 0.00 0.00 0.00 175.76 173.69 1lqo n ASP 61 N 7.77 -0.74 -0.57 0.00 5.68 -1.26 -5.06 116.55 122.36 1lqo n ASP 61 Ca 0.04 -1.66 0.12 0.00 -0.50 0.00 0.00 54.79 52.78 1lqo n ASP 61 Cb 0.48 1.28 0.40 0.00 -1.14 0.00 0.00 41.12 42.14 1lqo n ASP 61 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1lqo n TYR 62 N -0.21 0.16 -1.83 2.11 9.36 -1.26 -4.91 117.16 120.58 1lqo n TYR 62 Ca -0.02 -0.08 -0.42 0.00 3.32 0.00 0.00 57.90 60.70 1lqo n TYR 62 Cb 0.23 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.91 1lqo n TYR 62 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1lqo s THR 63 N -1.84 2.77 0.23 2.97 2.01 -1.26 -4.96 115.64 115.55 1lqo s THR 63 Ca 0.34 0.28 -0.18 0.00 0.31 0.00 0.00 61.69 62.44 1lqo s THR 63 Cb 0.19 -3.18 0.02 0.00 0.01 0.00 0.00 72.50 69.54 1lqo s THR 63 CO 0.29 0.00 0.59 -1.38 -0.69 0.00 0.00 174.62 173.42 1lqo s HIS 64 N 2.56 -0.11 -0.18 4.92 -3.43 -1.26 -4.52 115.29 113.26 1lqo s HIS 64 Ca 0.77 -0.26 0.00 0.00 -0.80 0.00 0.00 55.06 54.77 1lqo s HIS 64 Cb -0.43 0.48 0.04 0.00 -1.43 0.00 0.00 32.58 31.24 1lqo s HIS 64 CO 0.34 -1.02 -0.09 0.71 -2.00 0.00 0.00 174.74 172.67 1lqo s TYR 65 N -3.90 2.19 -0.19 0.38 1.51 -0.62 -5.03 117.35 111.70 1lqo s TYR 65 Ca 0.11 -1.41 -0.09 0.00 -1.01 0.00 0.00 57.07 54.67 1lqo s TYR 65 Cb -0.03 -1.55 -0.05 0.00 -0.11 0.00 0.00 41.96 40.23 1lqo s TYR 65 CO 0.01 -0.70 0.12 0.00 -1.11 0.00 0.00 175.55 173.87 1lqo s ALA 66 N 1.47 3.67 -0.01 3.71 0.00 -1.26 -1.60 121.76 127.75 1lqo s ALA 66 Ca 0.00 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1lqo s ALA 66 Cb -0.15 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 1lqo s ALA 66 CO -0.08 0.20 0.02 -0.06 0.00 0.00 0.00 175.76 175.84 1lqo s PHE 67 N 0.24 3.13 0.46 0.00 0.40 0.51 -4.96 117.98 117.77 1lqo s PHE 67 Ca 0.08 0.12 -0.22 0.00 -0.60 0.00 0.00 56.93 56.31 1lqo s PHE 67 Cb -0.11 -1.69 -0.08 0.00 0.51 0.00 0.00 43.02 41.65 1lqo s PHE 67 CO -0.01 0.49 1.10 0.20 0.70 0.00 0.00 175.22 177.69 1lqo s GLY 68 N -1.58 2.68 -0.10 4.36 0.00 -1.26 -0.75 107.32 110.68 1lqo s GLY 68 Ca 0.20 0.77 -0.16 0.00 0.00 0.00 0.00 44.72 45.54 1lqo s GLY 68 CO 0.11 1.17 0.40 -1.50 0.00 0.00 0.00 173.10 173.28 1lqo s ILE 69 N -1.71 0.02 0.36 0.90 2.07 -1.04 -4.78 121.20 117.02 1lqo s ILE 69 Ca 0.64 -0.17 -0.25 0.00 -1.41 0.00 0.00 60.65 59.46 1lqo s ILE 69 Cb -0.23 -0.62 -0.09 0.00 0.13 0.00 0.00 42.46 41.65 1lqo s ILE 69 CO 0.28 -0.09 1.05 0.00 -1.91 0.00 0.00 174.94 174.26 1lqo s ALA 70 N -0.45 3.17 0.28 1.50 0.00 -1.26 -4.14 121.76 120.86 1lqo s ALA 70 Ca -0.06 0.73 0.02 0.00 0.00 0.00 0.00 51.96 52.65 1lqo s ALA 70 Cb -0.03 -3.28 0.64 0.00 0.00 0.00 0.00 23.12 20.45 1lqo s ALA 70 CO 0.03 -0.16 1.75 0.00 0.00 0.00 0.00 175.76 177.37 1lqo h ALA 71 N 2.86 1.43 0.00 0.00 0.00 -1.97 -0.02 119.26 121.56 1lqo h ALA 71 Ca -0.48 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1lqo h ALA 71 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1lqo h ALA 71 CO 0.64 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1lqo h ALA 72 N 1.62 1.00 0.00 0.00 0.00 -2.06 -2.75 119.26 117.08 1lqo h ALA 72 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1lqo h ALA 72 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1lqo h ALA 72 CO -0.41 0.00 -0.74 -0.25 0.00 0.00 0.00 179.25 177.84 1lqo n ASP 73 N -2.85 0.70 0.24 0.00 8.00 -0.06 -4.64 116.55 117.95 1lqo n ASP 73 Ca 0.01 -0.54 -0.14 0.00 0.71 0.00 0.00 54.79 54.83 1lqo n ASP 73 Cb 0.30 0.59 -0.08 0.00 -0.02 0.00 0.00 41.12 41.91 1lqo n ASP 73 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1lqo h PHE 74 N 0.00 -1.07 -0.64 1.24 3.57 -1.13 -2.21 116.94 116.70 1lqo h PHE 74 Ca 0.00 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.64 1lqo h PHE 74 Cb 0.52 0.41 -0.10 0.00 2.79 0.00 0.00 35.95 39.57 1lqo h PHE 74 CO 0.00 -0.53 0.04 0.00 -2.23 0.00 0.00 178.31 175.59 1lqo h ALA 75 N -1.15 0.67 -0.44 2.41 0.00 -1.82 -1.17 119.26 117.76 1lqo h ALA 75 Ca -0.05 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1lqo h ALA 75 Cb 0.68 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1lqo h ALA 75 CO -0.03 -0.38 0.28 -0.09 0.00 0.00 0.00 179.25 179.03 1lqo h ARG 76 N 0.15 0.55 -0.14 0.00 2.43 -1.83 -0.04 114.38 115.50 1lqo h ARG 76 Ca 0.34 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.51 1lqo h ARG 76 Cb 0.55 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 1lqo h ARG 76 CO -0.52 0.37 -0.11 0.35 -1.51 0.00 0.00 179.97 178.54 1lqo h PHE 77 N 0.57 -0.28 -0.43 2.20 3.57 -0.58 0.23 116.94 122.22 1lqo h PHE 77 Ca 0.16 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.69 1lqo h PHE 77 Cb -0.05 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1lqo h PHE 77 CO -0.05 -0.17 0.28 0.00 -2.23 0.00 0.00 178.31 176.14 1lqo h ALA 78 N 0.97 0.55 -0.66 2.41 0.00 -1.36 0.57 119.26 121.74 1lqo h ALA 78 Ca 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1lqo h ALA 78 Cb 0.26 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1lqo h ALA 78 CO -0.21 -0.01 0.31 0.00 0.00 0.00 0.00 179.25 179.34 1lqo h ALA 79 N 1.16 0.85 -0.26 0.00 0.00 -0.72 -1.59 119.26 118.71 1lqo h ALA 79 Ca 0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1lqo h ALA 79 Cb -0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1lqo h ALA 79 CO -0.04 0.42 0.04 0.37 0.00 0.00 0.00 179.25 180.04 1lqo h GLN 80 N 0.91 0.42 -0.40 0.00 4.15 0.27 -1.95 115.11 118.50 1lqo h GLN 80 Ca 0.23 -0.11 -0.07 0.00 0.77 0.00 0.00 58.65 59.46 1lqo h GLN 80 Cb 0.13 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1lqo h GLN 80 CO -0.03 0.54 -0.06 -0.07 -1.93 0.00 0.00 178.83 177.29 1lqo h LEU 81 N 0.23 0.66 -0.68 -2.39 4.07 -0.79 -2.14 115.31 114.27 1lqo h LEU 81 Ca 0.08 -0.17 -0.03 0.00 0.08 0.00 0.00 57.88 57.84 1lqo h LEU 81 Cb 0.32 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.86 1lqo h LEU 81 CO 0.00 0.77 0.29 0.03 -1.08 0.00 0.00 178.44 178.46 1lqo h ARG 82 N 0.63 1.00 -0.56 1.13 3.08 -1.22 -2.01 114.38 116.44 1lqo h ARG 82 Ca 0.12 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1lqo h ARG 82 Cb 0.48 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 1lqo h ARG 82 CO 0.03 0.82 0.20 0.00 -1.07 0.00 0.00 179.97 179.94 1lqo h ALA 83 N 1.13 1.30 0.00 0.04 0.00 -1.02 -2.28 119.26 118.43 1lqo h ALA 83 Ca 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1lqo h ALA 83 Cb 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1lqo h ALA 83 CO -0.02 0.51 0.00 1.58 0.00 0.00 0.00 179.25 181.32 1lqo n HIS 84 N -4.31 0.00 -0.72 0.00 -0.00 -0.84 -4.89 115.22 104.46 1lqo n HIS 84 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 1lqo n HIS 84 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.17 1lqo n HIS 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1lqo n GLY 85 N 0.58 0.56 3.77 1.57 0.00 -0.86 -5.04 105.19 105.77 1lqo n GLY 85 Ca 0.16 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 1lqo n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lqo s VAL 86 N -2.00 3.19 -0.00 1.61 1.01 -0.79 -5.00 120.40 118.42 1lqo s VAL 86 Ca 0.00 1.10 -0.17 0.00 0.00 0.00 0.00 61.98 62.92 1lqo s VAL 86 Cb 0.00 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.66 1lqo s VAL 86 CO 0.00 0.19 0.46 -0.60 0.00 0.00 0.00 175.10 175.16 1lqo s ARG 87 N -1.91 4.07 0.08 2.72 3.52 -1.26 -4.74 118.95 121.42 1lqo s ARG 87 Ca 0.51 0.51 -0.00 0.00 -0.13 0.00 0.00 55.73 56.62 1lqo s ARG 87 Cb -0.33 -3.26 -0.04 0.00 -1.56 0.00 0.00 34.95 29.76 1lqo s ARG 87 CO 0.42 0.58 0.24 -1.21 -0.81 0.00 0.00 175.30 174.52 1lqo s GLU 88 N -0.79 3.46 0.00 5.12 2.02 -1.26 -1.37 118.70 125.88 1lqo s GLU 88 Ca 0.25 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.82 1lqo s GLU 88 Cb -0.17 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.05 1lqo s GLU 88 CO 0.14 0.58 0.30 -2.67 0.02 0.00 0.00 175.26 173.63 1lqo n TRP 89 N 0.16 0.00 -3.53 1.61 4.27 -0.81 -4.93 117.44 114.22 1lqo n TRP 89 Ca -0.05 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.45 1lqo n TRP 89 Cb 0.51 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.43 1lqo n TRP 89 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 1lqo s LYS 90 N -0.19 0.82 -0.02 -2.67 2.20 -1.26 -5.08 119.74 113.55 1lqo s LYS 90 Ca 0.00 -0.05 0.04 0.00 -0.36 0.00 0.00 55.97 55.59 1lqo s LYS 90 Cb 0.00 0.38 -0.03 0.00 -1.51 0.00 0.00 37.83 36.67 1lqo s LYS 90 CO 0.00 -0.31 -0.12 -1.14 -0.36 0.00 0.00 175.35 173.42 1lqo s GLN 91 N -2.10 2.47 0.14 4.03 0.74 -1.26 -4.28 119.66 119.39 1lqo s GLN 91 Ca -0.01 -0.74 -0.31 0.00 0.05 0.00 0.00 55.36 54.36 1lqo s GLN 91 Cb -0.01 -2.41 -0.08 0.00 1.10 0.00 0.00 33.01 31.62 1lqo s GLN 91 CO -0.02 0.61 1.38 1.21 -0.55 0.00 0.00 175.29 177.92 1lqo s ASN 92 N -1.09 6.82 -0.00 6.67 2.47 -1.26 -4.89 114.94 123.66 1lqo s ASN 92 Ca 0.14 2.36 0.00 0.00 0.42 0.00 0.00 52.86 55.78 1lqo s ASN 92 Cb -0.11 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 1lqo s ASN 92 CO 0.04 -0.63 0.79 0.54 -3.72 0.00 0.00 177.10 174.11 1lqo n ARG 93 N 3.63 0.03 -4.54 0.43 5.12 -1.26 -5.05 116.66 115.02 1lqo n ARG 93 Ca 0.10 -0.81 -0.25 0.00 -1.93 0.00 0.00 57.85 54.97 1lqo n ARG 93 Cb 0.42 -0.51 -0.10 0.00 -1.16 0.00 0.00 32.46 31.11 1lqo n ARG 93 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1lqo s SER 94 N -0.60 3.00 0.19 0.55 1.04 -1.26 -5.09 113.70 111.54 1lqo s SER 94 Ca 0.00 -1.44 -0.32 0.00 0.48 0.00 0.00 55.95 54.67 1lqo s SER 94 Cb 0.00 -0.03 -0.16 0.00 0.10 0.00 0.00 66.02 65.94 1lqo s SER 94 CO 0.00 -0.63 1.09 1.21 0.98 0.00 0.00 173.24 175.89 1lqo n GLU 95 N -0.85 1.09 -0.48 4.02 0.00 -1.26 -4.67 120.64 118.49 1lqo n GLU 95 Ca -0.05 0.39 0.00 0.00 0.00 0.00 0.00 57.16 57.49 1lqo n GLU 95 Cb 0.67 -1.83 0.00 0.00 0.00 0.00 0.00 31.44 30.28 1lqo n GLU 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1lqo n GLY 96 N 1.85 -3.66 3.57 8.31 0.00 -1.26 -4.92 105.19 109.08 1lqo n GLY 96 Ca 0.14 -0.90 -0.48 0.00 0.00 0.00 0.00 46.02 44.78 1lqo n GLY 96 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lqo n ASP 97 N -0.51 1.23 -3.75 1.61 8.00 -1.26 -4.73 116.55 117.14 1lqo n ASP 97 Ca 0.00 1.15 -0.13 0.00 0.71 0.00 0.00 54.79 56.53 1lqo n ASP 97 Cb 0.00 -1.23 -0.11 0.00 -0.02 0.00 0.00 41.12 39.76 1lqo n ASP 97 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1lqo s SER 98 N -0.19 -0.34 -0.14 -2.24 0.01 -1.26 -0.74 113.70 108.80 1lqo s SER 98 Ca 0.69 0.65 0.01 0.00 1.31 0.00 0.00 55.95 58.61 1lqo s SER 98 Cb -0.81 0.63 0.00 0.00 0.21 0.00 0.00 66.02 66.05 1lqo s SER 98 CO 0.54 -0.13 -0.19 0.12 0.41 0.00 0.00 173.24 174.00 1lqo s PHE 99 N 0.44 2.72 -0.31 2.43 5.36 -0.93 -4.38 117.98 123.32 1lqo s PHE 99 Ca -0.02 -1.14 0.01 0.00 -0.96 0.00 0.00 56.93 54.81 1lqo s PHE 99 Cb -0.04 -1.84 0.07 0.00 -0.34 0.00 0.00 43.02 40.87 1lqo s PHE 99 CO -0.02 -0.51 -0.00 0.71 -1.46 0.00 0.00 175.22 173.93 1lqo s TYR 100 N 0.75 3.40 0.20 10.12 1.51 -1.26 -1.02 117.35 131.04 1lqo s TYR 100 Ca -0.08 -2.31 0.05 0.00 -1.01 0.00 0.00 57.07 53.73 1lqo s TYR 100 Cb -0.16 -2.33 -0.05 0.00 -0.11 0.00 0.00 41.96 39.31 1lqo s TYR 100 CO 0.00 -0.88 -0.07 -0.59 -1.11 0.00 0.00 175.55 172.91 1lqo s PHE 101 N 1.12 1.49 -0.01 2.71 -0.12 -0.54 -1.93 117.98 120.70 1lqo s PHE 101 Ca -0.02 -0.78 -0.01 0.00 -0.05 0.00 0.00 56.93 56.07 1lqo s PHE 101 Cb -0.20 -0.80 -0.04 0.00 -0.63 0.00 0.00 43.02 41.36 1lqo s PHE 101 CO -0.04 0.10 0.08 -0.51 -0.05 0.00 0.00 175.22 174.80 1lqo s LEU 102 N -3.26 3.91 0.00 -1.99 1.43 -0.47 -0.08 118.68 118.21 1lqo s LEU 102 Ca 0.23 0.16 -0.09 0.00 -1.03 0.00 0.00 54.13 53.39 1lqo s LEU 102 Cb 0.03 -2.26 0.19 0.00 0.03 0.00 0.00 46.19 44.18 1lqo s LEU 102 CO 0.05 0.28 1.18 -0.90 0.23 0.00 0.00 176.35 177.20 1lqo n ASP 103 N 1.23 0.66 0.32 2.29 5.75 -0.56 -4.62 116.55 121.62 1lqo n ASP 103 Ca -0.13 -1.78 0.20 0.00 -0.01 0.00 0.00 54.79 53.07 1lqo n ASP 103 Cb 0.53 -0.85 1.05 0.00 -1.03 0.00 0.00 41.12 40.81 1lqo n ASP 103 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 1lqo h PRO 104 N 0.00 0.00 -0.01 0.11 0.11 -1.94 -1.70 132.00 128.57 1lqo h PRO 104 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1lqo h PRO 104 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1lqo h PRO 104 CO 0.33 0.01 -0.53 -0.25 -0.21 0.00 0.00 178.00 177.35 1lqo n ASP 105 N -3.22 1.73 0.00 -2.05 9.92 -1.26 -4.97 116.55 116.70 1lqo n ASP 105 Ca -0.02 -1.34 0.00 0.00 -0.53 0.00 0.00 54.79 52.90 1lqo n ASP 105 Cb 0.13 0.51 0.00 0.00 -0.64 0.00 0.00 41.12 41.12 1lqo n ASP 105 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1lqo n GLY 106 N 1.43 0.81 3.78 0.44 0.00 -0.64 -3.85 105.19 107.16 1lqo n GLY 106 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1lqo n GLY 106 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1lqo s HIS 107 N -2.04 2.57 -0.17 1.61 3.76 -1.26 -4.61 115.29 115.15 1lqo s HIS 107 Ca 0.00 1.16 -0.24 0.00 -0.15 0.00 0.00 55.06 55.83 1lqo s HIS 107 Cb 0.00 -4.03 -0.02 0.00 1.11 0.00 0.00 32.58 29.64 1lqo s HIS 107 CO 0.00 -3.02 0.78 1.03 -0.85 0.00 0.00 174.74 172.68 1lqo s ARG 108 N -2.11 4.28 0.38 1.40 0.52 -1.26 -1.49 118.95 120.67 1lqo s ARG 108 Ca 0.53 0.92 0.08 0.00 -0.52 0.00 0.00 55.73 56.74 1lqo s ARG 108 Cb -0.47 -3.57 -0.07 0.00 0.52 0.00 0.00 34.95 31.36 1lqo s ARG 108 CO 0.63 -0.29 -0.03 -0.51 0.02 0.00 0.00 175.30 175.12 1lqo s LEU 109 N 2.04 2.78 -0.15 2.53 1.43 0.89 -1.58 118.68 126.61 1lqo s LEU 109 Ca 0.36 -1.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.05 1lqo s LEU 109 Cb -0.16 -0.91 0.05 0.00 0.03 0.00 0.00 46.19 45.19 1lqo s LEU 109 CO 0.12 -0.36 0.39 -0.70 0.23 0.00 0.00 176.35 176.03 1lqo s GLU 110 N -3.68 0.42 -0.21 1.70 2.12 -0.62 -1.47 118.70 116.95 1lqo s GLU 110 Ca 0.34 0.63 -0.06 0.00 0.36 0.00 0.00 54.97 56.25 1lqo s GLU 110 Cb 0.07 0.11 -0.03 0.00 0.26 0.00 0.00 34.13 34.54 1lqo s GLU 110 CO 0.17 -0.10 0.02 0.00 -0.54 0.00 0.00 175.26 174.81 1lqo s ALA 111 N 0.73 3.07 -0.05 6.30 0.00 -0.19 -0.36 121.76 131.25 1lqo s ALA 111 Ca -0.04 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 50.94 1lqo s ALA 111 Cb -0.05 -1.85 -0.00 0.00 0.00 0.00 0.00 23.12 21.21 1lqo s ALA 111 CO -0.05 -0.23 -0.17 -1.58 0.00 0.00 0.00 175.76 173.73 1lqo s HIS 112 N 1.14 1.74 -0.22 0.00 5.04 0.07 -2.18 115.29 120.88 1lqo s HIS 112 Ca 0.03 -0.54 -0.16 0.00 -1.54 0.00 0.00 55.06 52.85 1lqo s HIS 112 Cb -0.14 -1.18 -0.04 0.00 0.04 0.00 0.00 32.58 31.26 1lqo s HIS 112 CO 0.02 -0.20 0.43 0.08 -2.34 0.00 0.00 174.74 172.74 1lqo s VAL 113 N 0.14 5.16 0.00 0.89 1.01 0.08 -2.51 120.40 125.17 1lqo s VAL 113 Ca -0.06 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1lqo s VAL 113 Cb -0.13 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1lqo s VAL 113 CO 0.03 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1lqo n GLY 114 N 4.11 1.11 0.96 4.51 0.00 -1.26 -4.17 105.19 110.45 1lqo n GLY 114 Ca -0.07 -2.30 -0.04 0.00 0.00 0.00 0.00 46.02 43.61 1lqo n GLY 114 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1lqo n ASP 115 N 0.00 -0.41 -0.20 1.61 5.68 -1.26 -4.96 116.55 117.01 1lqo n ASP 115 Ca 0.00 -1.53 -0.07 0.00 -0.50 0.00 0.00 54.79 52.70 1lqo n ASP 115 Cb 0.00 0.76 0.03 0.00 -1.14 0.00 0.00 41.12 40.77 1lqo n ASP 115 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1lqo h LEU 116 N 0.00 0.68 -0.18 -2.12 5.85 -2.01 -1.10 115.31 116.43 1lqo h LEU 116 Ca -0.08 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.64 1lqo h LEU 116 Cb 0.34 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1lqo h LEU 116 CO 0.11 0.52 -0.07 0.08 -0.34 0.00 0.00 178.44 178.73 1lqo h ARG 117 N 0.77 -0.04 -0.14 1.25 0.11 -1.99 0.51 114.38 114.86 1lqo h ARG 117 Ca 0.21 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.24 1lqo h ARG 117 Cb -0.04 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.04 1lqo h ARG 117 CO -0.04 -0.03 -0.14 0.66 0.10 0.00 0.00 179.97 180.52 1lqo h SER 118 N -0.05 0.21 -0.02 0.08 4.64 -1.92 -0.64 113.55 115.84 1lqo h SER 118 Ca 0.09 -0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.25 1lqo h SER 118 Cb 0.19 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1lqo h SER 118 CO -0.21 0.37 -0.46 -0.09 -0.87 0.00 0.00 176.83 175.58 1lqo h ARG 119 N 0.21 0.35 -1.00 4.77 9.65 0.12 -2.80 114.38 125.67 1lqo h ARG 119 Ca 0.04 -0.35 0.06 0.00 -1.10 0.00 0.00 59.98 58.63 1lqo h ARG 119 Cb 0.39 0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 28.99 1lqo h ARG 119 CO 0.02 1.02 0.65 -0.07 2.80 0.00 0.00 179.97 184.39 1lqo h LEU 120 N -0.18 1.06 0.18 3.80 3.38 0.41 0.08 115.31 124.04 1lqo h LEU 120 Ca -0.05 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1lqo h LEU 120 Cb 1.16 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1lqo h LEU 120 CO 0.09 0.69 -0.24 0.00 0.09 0.00 0.00 178.44 179.08 1lqo h ALA 121 N 1.44 -0.44 -0.83 1.53 0.00 -1.08 -1.91 119.26 117.98 1lqo h ALA 121 Ca 0.42 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.31 1lqo h ALA 121 Cb 0.11 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1lqo h ALA 121 CO -0.16 -0.79 0.53 0.00 0.00 0.00 0.00 179.25 178.84 1lqo h ALA 122 N 0.25 1.08 -0.52 0.00 0.00 -1.21 -3.16 119.26 115.70 1lqo h ALA 122 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1lqo h ALA 122 Cb 0.46 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1lqo h ALA 122 CO -0.09 0.37 0.30 0.00 0.00 0.00 0.00 179.25 179.82 1lqo h ARG 124 N 0.69 -0.50 0.00 0.00 3.08 -1.33 0.23 114.38 116.55 1lqo h ARG 124 Ca 0.18 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 1lqo h ARG 124 Cb 0.03 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1lqo h ARG 124 CO -0.03 -0.34 -0.03 1.96 -1.07 0.00 0.00 179.97 180.46 1lqo h GLN 125 N -0.52 0.00 -1.83 0.04 4.20 -1.55 -3.34 115.11 112.10 1lqo h GLN 125 Ca 0.06 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.40 1lqo h GLN 125 Cb 0.65 0.00 -0.29 0.00 0.30 0.00 0.00 27.48 28.14 1lqo h GLN 125 CO -0.43 0.03 -0.72 0.00 -0.67 0.00 0.00 178.83 177.04 1lqo s ALA 126 N -4.07 -0.34 0.40 3.87 0.00 0.22 -5.14 121.76 116.71 1lqo s ALA 126 Ca -0.03 -1.24 -0.25 0.00 0.00 0.00 0.00 51.96 50.44 1lqo s ALA 126 Cb 0.12 -2.09 -0.08 0.00 0.00 0.00 0.00 23.12 21.07 1lqo s ALA 126 CO 0.50 -2.12 1.17 -2.14 0.00 0.00 0.00 175.76 173.16 1lqo s PRO 127 N 0.94 4.05 1.18 0.00 0.02 0.57 -4.48 135.00 137.28 1lqo s PRO 127 Ca 0.24 1.83 -0.18 0.00 0.02 0.00 0.00 61.00 62.91 1lqo s PRO 127 Cb -0.07 -2.66 0.28 0.00 0.02 0.00 0.00 34.50 32.07 1lqo s PRO 127 CO -0.08 -0.32 1.08 0.71 -0.33 0.00 0.00 177.00 178.06 1lqo s TYR 128 N -1.43 0.78 -0.11 6.54 4.12 -1.26 -4.87 117.35 121.12 1lqo s TYR 128 Ca 0.57 0.65 -0.29 0.00 0.02 0.00 0.00 57.07 58.02 1lqo s TYR 128 Cb -0.30 -3.33 -0.06 0.00 -1.52 0.00 0.00 41.96 36.75 1lqo s TYR 128 CO 0.38 -3.80 1.97 0.00 0.02 0.00 0.00 175.55 174.12 1lqo s ALA 129 N -2.88 3.22 -0.93 3.71 0.00 -1.26 -2.69 121.76 120.92 1lqo s ALA 129 Ca 0.69 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.59 1lqo s ALA 129 Cb -0.13 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 19.07 1lqo s ALA 129 CO 0.57 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.67 1lqo n GLY 130 N 4.97 0.17 3.78 0.00 0.00 -1.26 -4.99 105.19 107.86 1lqo n GLY 130 Ca 0.23 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1lqo n GLY 130 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1lqo s MET 131 N -4.22 3.51 -0.12 1.61 0.00 -1.10 -5.05 119.30 113.93 1lqo s MET 131 Ca 0.00 1.61 -0.10 0.00 0.00 0.00 0.00 55.69 57.20 1lqo s MET 131 Cb 0.00 -2.11 0.04 0.00 0.00 0.00 0.00 34.83 32.76 1lqo s MET 131 CO 0.00 -0.72 0.32 1.03 0.00 0.00 0.00 175.02 175.65 1lqo s ARG 132 N -3.14 0.36 0.33 4.11 0.52 -1.26 -5.00 118.95 114.87 1lqo s ARG 132 Ca 0.70 0.49 0.04 0.00 -0.52 0.00 0.00 55.73 56.44 1lqo s ARG 132 Cb -0.24 0.12 0.04 0.00 0.52 0.00 0.00 34.95 35.40 1lqo s ARG 132 CO 0.28 -0.07 0.34 1.19 0.02 0.00 0.00 175.30 177.06 1lqo n PHE 133 N 3.21 -1.70 -0.51 -0.53 3.01 -1.26 -5.19 117.46 114.49 1lqo n PHE 133 Ca -0.15 -1.30 0.00 0.00 1.01 0.00 0.00 57.45 57.00 1lqo n PHE 133 Cb 0.57 -0.29 0.00 0.00 -0.01 0.00 0.00 39.48 39.75 1lqo n PHE 133 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77