#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dqz s LYS 4 N 0.00 3.75 0.43 2.89 -0.14 -1.26 -4.95 119.74 120.45 3dqz s LYS 4 Ca 0.00 0.15 0.04 0.00 -1.36 0.00 0.00 55.97 54.80 3dqz s LYS 4 Cb 0.00 -2.95 -0.05 0.00 -1.68 0.00 0.00 37.83 33.16 3dqz s LYS 4 CO 0.00 0.53 0.03 -1.01 -0.76 0.00 0.00 175.35 174.14 3dqz s HIS 5 N -1.47 2.10 -0.36 3.18 3.76 -1.26 -4.98 115.29 116.26 3dqz s HIS 5 Ca 0.35 -0.90 -0.08 0.00 -0.15 0.00 0.00 55.06 54.28 3dqz s HIS 5 Cb -0.13 -1.55 0.04 0.00 1.11 0.00 0.00 32.58 32.05 3dqz s HIS 5 CO 0.19 0.19 0.15 -1.58 -0.85 0.00 0.00 174.74 172.85 3dqz s HIS 6 N -2.94 3.25 -0.16 1.40 2.46 -1.26 -1.34 115.29 116.70 3dqz s HIS 6 Ca 0.24 -1.23 -0.21 0.00 0.47 0.00 0.00 55.06 54.33 3dqz s HIS 6 Cb 0.06 -2.36 -0.03 0.00 -0.13 0.00 0.00 32.58 30.12 3dqz s HIS 6 CO 0.12 -0.70 0.61 -0.06 -2.47 0.00 0.00 174.74 172.24 3dqz s PHE 7 N 1.47 3.44 -0.29 3.88 0.08 0.21 -1.34 117.98 125.43 3dqz s PHE 7 Ca -0.00 0.97 -0.08 0.00 0.12 0.00 0.00 56.93 57.94 3dqz s PHE 7 Cb -0.19 -2.74 -0.01 0.00 -0.57 0.00 0.00 43.02 39.50 3dqz s PHE 7 CO 0.04 -0.05 0.11 0.08 -0.10 0.00 0.00 175.22 175.30 3dqz s VAL 8 N 1.44 4.40 -0.21 -0.44 1.01 -0.32 -0.63 120.40 125.64 3dqz s VAL 8 Ca 0.29 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 3dqz s VAL 8 Cb -0.16 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 3dqz s VAL 8 CO 0.12 0.16 0.14 -0.76 0.00 0.00 0.00 175.10 174.76 3dqz s LEU 9 N 1.60 4.19 -0.20 3.92 1.43 0.92 -0.47 118.68 130.07 3dqz s LEU 9 Ca 0.05 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 3dqz s LEU 9 Cb -0.16 -2.09 0.04 0.00 0.03 0.00 0.00 46.19 44.00 3dqz s LEU 9 CO 0.05 0.16 -0.14 -0.69 0.23 0.00 0.00 176.35 175.96 3dqz s VAL 10 N 0.48 1.84 1.10 -1.59 1.01 0.54 -1.71 120.40 122.06 3dqz s VAL 10 Ca 0.08 -1.05 -0.17 0.00 0.00 0.00 0.00 61.98 60.84 3dqz s VAL 10 Cb -0.11 -1.82 0.24 0.00 0.00 0.00 0.00 36.38 34.69 3dqz s VAL 10 CO -0.01 0.28 1.17 -1.38 0.00 0.00 0.00 175.10 175.16 3dqz s HIS 11 N 1.33 1.06 0.62 5.22 -3.43 -1.26 -1.27 115.29 117.55 3dqz s HIS 11 Ca -0.00 0.50 0.01 0.00 -0.80 0.00 0.00 55.06 54.77 3dqz s HIS 11 Cb -0.16 -3.63 0.07 0.00 -1.43 0.00 0.00 32.58 27.44 3dqz s HIS 11 CO -0.09 -3.35 0.86 0.54 -2.00 0.00 0.00 174.74 170.69 3dqz s ASN 12 N -4.17 4.91 0.66 7.38 4.22 -1.21 -3.91 114.94 122.82 3dqz s ASN 12 Ca 0.71 -0.22 -0.16 0.00 -2.14 0.00 0.00 52.86 51.05 3dqz s ASN 12 Cb -0.09 -0.44 0.00 0.00 1.28 0.00 0.00 41.25 42.00 3dqz s ASN 12 CO 0.55 -1.43 1.14 0.00 -2.04 0.00 0.00 177.10 175.32 3dqz s ALA 13 N -2.89 2.41 0.00 3.54 0.00 -1.26 -2.98 121.76 120.57 3dqz s ALA 13 Ca 0.61 0.68 0.00 0.00 0.00 0.00 0.00 51.96 53.25 3dqz s ALA 13 Cb -0.08 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3dqz s ALA 13 CO 0.41 -1.37 0.00 0.66 0.00 0.00 0.00 175.76 175.46 3dqz n TYR 14 N -2.33 0.00 -3.53 0.00 4.01 -1.26 -4.92 117.16 109.13 3dqz n TYR 14 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 3dqz n TYR 14 Cb 0.51 -0.55 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 3dqz n TYR 14 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3dqz n HIS 15 N -2.00 0.00 -3.34 -0.72 8.25 -1.16 -1.73 115.22 114.52 3dqz n HIS 15 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 3dqz n HIS 15 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3dqz n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dqz n GLY 16 N 3.57 2.11 0.32 -1.41 0.00 -1.26 -3.25 105.19 105.27 3dqz n GLY 16 Ca 0.00 -1.18 0.16 0.00 0.00 0.00 0.00 46.02 45.00 3dqz n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dqz h ALA 17 N 1.87 1.85 -0.00 4.61 0.00 -1.89 -2.63 119.26 123.06 3dqz h ALA 17 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3dqz h ALA 17 Cb 0.29 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3dqz h ALA 17 CO 0.10 -0.24 0.10 0.11 0.00 0.00 0.00 179.25 179.32 3dqz h TRP 18 N 0.00 0.00 0.00 0.00 5.08 -1.95 -1.64 115.95 117.45 3dqz h TRP 18 Ca 0.08 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.05 3dqz h TRP 18 Cb 0.39 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.55 3dqz h TRP 18 CO 0.00 0.00 0.00 -0.84 -1.28 0.00 0.00 178.44 176.32 3dqz h ILE 19 N 0.00 0.00 -0.42 0.12 3.07 -1.90 -2.82 117.51 115.56 3dqz h ILE 19 Ca 0.00 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 66.12 3dqz h ILE 19 Cb 0.21 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 38.04 3dqz h ILE 19 CO -0.00 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.89 3dqz n TRP 20 N -3.06 1.26 0.28 0.16 7.02 -0.62 -4.47 117.44 118.02 3dqz n TRP 20 Ca -0.01 -0.46 0.16 0.00 -1.02 0.00 0.00 57.50 56.17 3dqz n TRP 20 Cb 0.20 -0.30 0.58 0.00 -2.42 0.00 0.00 31.31 29.38 3dqz n TRP 20 CO 0.00 0.00 0.00 0.10 -2.02 0.00 0.00 177.69 175.77 3dqz h TYR 21 N 2.81 0.00 0.07 -5.99 -0.00 -1.71 -0.03 116.97 112.12 3dqz h TYR 21 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 58.73 58.39 3dqz h TYR 21 Cb 1.33 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 38.02 3dqz h TYR 21 CO 0.66 0.00 -1.97 1.63 -0.00 0.00 0.00 178.16 178.49 3dqz n LYS 22 N -3.02 0.70 0.13 0.10 5.02 -1.26 -4.43 118.16 115.40 3dqz n LYS 22 Ca 0.01 0.25 -0.22 0.00 -2.02 0.00 0.00 58.31 56.33 3dqz n LYS 22 Cb 0.34 -1.71 -0.15 0.00 -0.02 0.00 0.00 35.03 33.49 3dqz n LYS 22 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3dqz h LEU 23 N 0.04 0.76 -0.30 -0.35 5.85 -1.71 -3.31 115.31 116.30 3dqz h LEU 23 Ca -0.40 -0.79 0.06 0.00 0.84 0.00 0.00 57.88 57.60 3dqz h LEU 23 Cb 2.03 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 42.75 3dqz h LEU 23 CO 0.07 1.61 -0.11 0.50 -0.34 0.00 0.00 178.44 180.16 3dqz h LYS 24 N 0.16 -0.05 -0.06 1.25 3.64 -1.22 -1.08 116.57 119.21 3dqz h LYS 24 Ca -0.21 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.10 3dqz h LYS 24 Cb 2.06 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.89 3dqz h LYS 24 CO 0.25 -0.04 -0.27 -1.00 -2.27 0.00 0.00 179.45 176.12 3dqz h PRO 25 N -0.05 0.11 -0.15 1.90 0.13 -1.78 -0.94 132.00 131.22 3dqz h PRO 25 Ca 0.15 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 3dqz h PRO 25 Cb 0.28 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.39 3dqz h PRO 25 CO -0.34 0.38 0.05 -0.07 -0.23 0.00 0.00 178.00 177.80 3dqz h LEU 26 N 0.10 0.21 0.62 1.56 3.38 -1.41 0.21 115.31 119.98 3dqz h LEU 26 Ca 0.02 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3dqz h LEU 26 Cb 0.54 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.25 3dqz h LEU 26 CO 0.04 0.33 -0.30 -0.07 0.09 0.00 0.00 178.44 178.53 3dqz h LEU 27 N 0.07 -0.70 -1.91 1.67 3.38 -1.14 -2.77 115.31 113.91 3dqz h LEU 27 Ca 0.05 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3dqz h LEU 27 Cb 0.19 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3dqz h LEU 27 CO -0.00 -0.47 0.07 -0.33 0.09 0.00 0.00 178.44 177.81 3dqz h GLU 28 N -0.88 0.12 0.00 1.13 5.08 -1.15 0.13 114.58 119.02 3dqz h GLU 28 Ca -0.08 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 3dqz h GLU 28 Cb 0.65 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3dqz h GLU 28 CO 0.14 0.08 -0.19 1.03 -1.00 0.00 0.00 179.01 179.07 3dqz h SER 29 N 0.13 0.00 0.13 1.42 0.87 -0.48 -1.74 113.55 113.88 3dqz h SER 29 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3dqz h SER 29 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 3dqz h SER 29 CO -0.01 0.19 -0.08 0.00 -0.53 0.00 0.00 176.83 176.41 3dqz n ALA 30 N -2.21 2.73 -0.29 6.23 0.00 0.01 -4.92 120.51 122.05 3dqz n ALA 30 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3dqz n ALA 30 Cb 0.40 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3dqz n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dqz n GLY 31 N 1.20 0.83 3.88 0.00 0.00 -0.65 -4.99 105.19 105.47 3dqz n GLY 31 Ca 0.17 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3dqz n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dqz s HIS 32 N -2.00 3.44 -0.15 1.61 3.76 -1.04 -4.63 115.29 116.28 3dqz s HIS 32 Ca 0.00 0.76 -0.12 0.00 -0.15 0.00 0.00 55.06 55.55 3dqz s HIS 32 Cb 0.00 -2.17 -0.05 0.00 1.11 0.00 0.00 32.58 31.47 3dqz s HIS 32 CO 0.00 0.30 0.25 0.50 -0.85 0.00 0.00 174.74 174.94 3dqz s ARG 33 N -2.88 4.09 -0.06 1.40 3.52 -0.45 -3.63 118.95 120.94 3dqz s ARG 33 Ca 0.45 0.03 0.06 0.00 -0.13 0.00 0.00 55.73 56.14 3dqz s ARG 33 Cb -0.11 -3.37 -0.01 0.00 -1.56 0.00 0.00 34.95 29.89 3dqz s ARG 33 CO 0.23 0.37 -0.24 0.08 -0.81 0.00 0.00 175.30 174.93 3dqz s VAL 34 N 0.08 2.16 -0.20 7.11 1.01 -1.26 -0.62 120.40 128.68 3dqz s VAL 34 Ca 0.15 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.11 3dqz s VAL 34 Cb -0.13 -1.78 0.04 0.00 0.00 0.00 0.00 36.38 34.51 3dqz s VAL 34 CO 0.04 0.57 -0.10 -0.89 0.00 0.00 0.00 175.10 174.72 3dqz s THR 35 N -0.24 1.64 -0.60 3.92 2.01 0.19 -4.98 115.64 117.59 3dqz s THR 35 Ca -0.01 -1.01 -0.16 0.00 0.31 0.00 0.00 61.69 60.82 3dqz s THR 35 Cb -0.13 -1.72 0.15 0.00 0.01 0.00 0.00 72.50 70.81 3dqz s THR 35 CO 0.03 0.16 0.56 0.00 -0.69 0.00 0.00 174.62 174.68 3dqz s ALA 36 N 1.40 3.73 0.32 7.40 0.00 -1.26 -0.06 121.76 133.29 3dqz s ALA 36 Ca -0.01 -2.69 -0.29 0.00 0.00 0.00 0.00 51.96 48.97 3dqz s ALA 36 Cb -0.16 -3.33 -0.10 0.00 0.00 0.00 0.00 23.12 19.53 3dqz s ALA 36 CO -0.08 -2.08 1.32 0.08 0.00 0.00 0.00 175.76 175.00 3dqz s VAL 37 N 1.34 2.72 -0.40 0.00 1.01 -0.70 -4.86 120.40 119.52 3dqz s VAL 37 Ca 0.06 0.71 -0.08 0.00 0.00 0.00 0.00 61.98 62.67 3dqz s VAL 37 Cb -0.26 -3.45 0.07 0.00 0.00 0.00 0.00 36.38 32.74 3dqz s VAL 37 CO 0.01 0.16 0.21 -0.70 0.00 0.00 0.00 175.10 174.78 3dqz s GLU 38 N -1.59 2.53 1.07 2.72 2.56 -1.26 -4.30 118.70 120.43 3dqz s GLU 38 Ca 0.50 -1.43 -0.14 0.00 0.00 0.00 0.00 54.97 53.90 3dqz s GLU 38 Cb -0.40 -3.66 0.22 0.00 2.00 0.00 0.00 34.13 32.29 3dqz s GLU 38 CO 0.52 -0.89 1.10 -0.51 -0.56 0.00 0.00 175.26 174.91 3dqz s LEU 39 N 1.38 1.28 0.48 2.70 1.43 -1.26 -4.79 118.68 119.90 3dqz s LEU 39 Ca 0.02 1.00 -0.22 0.00 -1.03 0.00 0.00 54.13 53.90 3dqz s LEU 39 Cb -0.22 -3.03 -0.07 0.00 0.03 0.00 0.00 46.19 42.90 3dqz s LEU 39 CO 0.01 -3.47 1.16 0.00 0.23 0.00 0.00 176.35 174.28 3dqz s ALA 40 N -2.98 2.91 -1.40 4.21 0.00 -0.86 -2.67 121.76 120.96 3dqz s ALA 40 Ca 0.67 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.54 3dqz s ALA 40 Cb -0.16 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3dqz s ALA 40 CO 0.57 -0.68 0.00 0.00 0.00 0.00 0.00 175.76 175.65 3dqz n ALA 41 N -0.68 -0.20 -2.48 0.00 0.00 -1.25 -4.90 120.51 110.99 3dqz n ALA 41 Ca 0.08 0.21 -0.32 0.00 0.00 0.00 0.00 53.44 53.42 3dqz n ALA 41 Cb 0.49 -1.72 -0.13 0.00 0.00 0.00 0.00 19.45 18.09 3dqz n ALA 41 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3dqz s SER 42 N -2.36 4.00 1.84 0.00 0.01 -1.09 -4.69 113.70 111.41 3dqz s SER 42 Ca 0.00 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.97 3dqz s SER 42 Cb 0.00 -0.77 0.00 0.00 0.21 0.00 0.00 66.02 65.46 3dqz s SER 42 CO 0.00 0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.55 3dqz n GLY 43 N 1.85 4.03 1.51 3.44 0.00 -1.20 -0.94 105.19 113.89 3dqz n GLY 43 Ca -0.16 0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.02 3dqz n GLY 43 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3dqz n ILE 44 N 0.00 1.91 -1.84 -0.61 -5.35 -1.26 -4.92 119.36 107.29 3dqz n ILE 44 Ca 0.00 -1.05 -0.42 0.00 -0.27 0.00 0.00 62.75 61.01 3dqz n ILE 44 Cb 0.00 -0.17 -0.03 0.00 -1.74 0.00 0.00 39.64 37.70 3dqz n ILE 44 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3dqz s ASP 45 N -0.70 6.51 0.09 7.28 2.15 -0.11 -4.89 116.67 127.00 3dqz s ASP 45 Ca 0.43 2.68 0.15 0.00 0.43 0.00 0.00 52.55 56.23 3dqz s ASP 45 Cb 0.31 -2.58 0.65 0.00 -0.30 0.00 0.00 42.92 40.99 3dqz s ASP 45 CO 0.16 -0.91 1.46 -0.81 -0.17 0.00 0.00 175.17 174.90 3dqz n PRO 46 N 4.61 0.06 -2.94 4.34 -0.04 -1.26 -4.56 135.00 135.21 3dqz n PRO 46 Ca 0.15 0.37 -0.40 0.00 -0.04 0.00 0.00 63.50 63.58 3dqz n PRO 46 Cb 0.38 -1.63 -0.05 0.00 -0.04 0.00 0.00 33.50 32.16 3dqz n PRO 46 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3dqz s ARG 47 N -3.13 4.54 0.84 0.54 0.52 -1.26 -5.04 118.95 115.95 3dqz s ARG 47 Ca 0.04 1.14 -0.11 0.00 -0.52 0.00 0.00 55.73 56.28 3dqz s ARG 47 Cb 0.07 -3.36 0.10 0.00 0.52 0.00 0.00 34.95 32.28 3dqz s ARG 47 CO 0.24 0.29 1.10 -2.14 0.02 0.00 0.00 175.30 174.81 3dqz s PRO 48 N -0.11 1.71 0.44 3.54 0.02 -1.26 -3.89 135.00 135.46 3dqz s PRO 48 Ca 0.40 1.15 0.23 0.00 0.02 0.00 0.00 61.00 62.80 3dqz s PRO 48 Cb -0.21 -1.84 1.00 0.00 0.02 0.00 0.00 34.50 33.47 3dqz s PRO 48 CO 0.24 -2.02 1.88 0.97 -0.33 0.00 0.00 177.00 177.74 3dqz h ILE 49 N -1.40 0.70 0.00 2.83 6.09 -1.84 -2.30 117.51 121.59 3dqz h ILE 49 Ca -0.45 -1.06 -0.01 0.00 -1.37 0.00 0.00 64.86 61.96 3dqz h ILE 49 Cb 1.25 1.68 -0.00 0.00 0.47 0.00 0.00 36.82 40.22 3dqz h ILE 49 CO 0.50 0.24 -0.07 1.56 -3.07 0.00 0.00 178.15 177.32 3dqz h GLN 50 N 0.00 0.00 -0.00 2.19 7.50 -1.95 -1.99 115.11 120.86 3dqz h GLN 50 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3dqz h GLN 50 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.19 3dqz h GLN 50 CO 0.03 0.07 -0.15 0.00 -1.50 0.00 0.00 178.83 177.27 3dqz n ALA 51 N -2.18 2.85 -3.88 3.87 0.00 -0.87 -4.59 120.51 115.71 3dqz n ALA 51 Ca -0.01 -0.30 -0.33 0.00 0.00 0.00 0.00 53.44 52.79 3dqz n ALA 51 Cb 0.23 -1.28 -0.13 0.00 0.00 0.00 0.00 19.45 18.27 3dqz n ALA 51 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dqz s VAL 52 N -2.49 2.91 -0.59 0.00 1.01 -0.75 -4.97 120.40 115.52 3dqz s VAL 52 Ca 0.27 -2.83 0.23 0.00 0.00 0.00 0.00 61.98 59.65 3dqz s VAL 52 Cb 0.20 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 3dqz s VAL 52 CO 0.49 -0.76 1.13 -0.62 0.00 0.00 0.00 175.10 175.34 3dqz n GLU 53 N 3.67 0.31 -4.23 2.72 1.02 -1.26 -4.90 120.64 117.97 3dqz n GLU 53 Ca 0.04 0.03 -0.19 0.00 -0.02 0.00 0.00 57.16 57.03 3dqz n GLU 53 Cb 0.37 -1.64 -0.12 0.00 -0.02 0.00 0.00 31.44 30.04 3dqz n GLU 53 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3dqz s THR 54 N -3.20 1.33 0.46 2.62 -4.23 -1.26 -4.89 115.64 106.47 3dqz s THR 54 Ca 0.04 -1.58 0.12 0.00 -1.18 0.00 0.00 61.69 59.10 3dqz s THR 54 Cb 0.14 -1.40 0.24 0.00 1.34 0.00 0.00 72.50 72.81 3dqz s THR 54 CO 0.77 -0.31 2.07 1.62 -0.54 0.00 0.00 174.62 178.23 3dqz h VAL 55 N 3.82 1.07 -0.72 2.29 3.04 -1.90 -1.99 116.25 121.86 3dqz h VAL 55 Ca -0.41 -0.26 0.01 0.00 -1.01 0.00 0.00 66.70 65.02 3dqz h VAL 55 Cb 1.19 0.94 -0.04 0.00 -2.01 0.00 0.00 31.29 31.38 3dqz h VAL 55 CO 0.46 0.09 0.47 0.44 -1.01 0.00 0.00 177.57 178.02 3dqz h ASP 56 N 0.19 0.83 -0.49 3.17 3.32 -1.98 -0.98 116.42 120.48 3dqz h ASP 56 Ca 0.05 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 3dqz h ASP 56 Cb 0.09 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3dqz h ASP 56 CO -0.00 0.61 0.00 -0.33 -1.72 0.00 0.00 179.24 177.80 3dqz h GLU 57 N 0.97 0.87 -0.74 3.56 5.08 -1.80 -1.84 114.58 120.68 3dqz h GLU 57 Ca 0.26 -0.27 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 3dqz h GLU 57 Cb -0.10 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.00 3dqz h GLU 57 CO -0.06 0.90 0.39 -0.92 -1.00 0.00 0.00 179.01 178.32 3dqz h TYR 58 N 0.73 0.70 -0.00 4.33 3.20 -0.92 -2.56 116.97 122.45 3dqz h TYR 58 Ca 0.14 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3dqz h TYR 58 Cb 0.51 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.58 3dqz h TYR 58 CO 0.04 0.27 -0.29 0.43 -1.64 0.00 0.00 178.16 176.97 3dqz n SER 59 N -4.82 0.42 -0.29 -2.11 7.64 -0.41 -2.02 113.62 112.02 3dqz n SER 59 Ca 0.11 -0.17 0.11 0.00 1.01 0.00 0.00 58.87 59.93 3dqz n SER 59 Cb 0.26 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.72 3dqz n SER 59 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3dqz h LYS 60 N 0.20 0.17 -0.76 1.43 3.64 -0.89 0.32 116.57 120.69 3dqz h LYS 60 Ca 0.00 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 3dqz h LYS 60 Cb 0.48 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 3dqz h LYS 60 CO 0.00 0.12 0.50 -1.35 -2.27 0.00 0.00 179.45 176.44 3dqz h PRO 61 N 0.18 0.80 0.02 1.90 0.11 -1.80 0.27 132.00 133.47 3dqz h PRO 61 Ca 0.52 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.58 3dqz h PRO 61 Cb 1.02 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3dqz h PRO 61 CO -0.66 0.53 -0.01 1.25 -0.21 0.00 0.00 178.00 178.89 3dqz h LEU 62 N 0.82 -0.02 -1.10 2.35 5.85 -0.70 -1.04 115.31 121.48 3dqz h LEU 62 Ca 0.32 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.79 3dqz h LEU 62 Cb 0.22 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 3dqz h LEU 62 CO -0.11 0.29 0.61 0.40 -0.34 0.00 0.00 178.44 179.30 3dqz h ILE 63 N -0.34 1.13 -0.39 4.05 5.03 -1.10 -1.92 117.51 123.97 3dqz h ILE 63 Ca -0.00 -0.39 -0.09 0.00 -0.12 0.00 0.00 64.86 64.26 3dqz h ILE 63 Cb 0.32 -0.11 -0.02 0.00 -3.03 0.00 0.00 36.82 33.98 3dqz h ILE 63 CO 0.00 0.21 -0.12 -0.08 -0.68 0.00 0.00 178.15 177.48 3dqz h GLU 64 N 1.14 0.70 -0.40 2.37 4.57 -0.36 0.11 114.58 122.72 3dqz h GLU 64 Ca 0.38 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 58.31 3dqz h GLU 64 Cb 0.07 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 3dqz h GLU 64 CO -0.13 0.80 0.15 1.15 -1.18 0.00 0.00 179.01 179.80 3dqz h THR 65 N 0.64 1.20 -0.20 0.32 2.02 -0.44 -2.49 112.91 113.95 3dqz h THR 65 Ca 0.11 -0.62 -0.18 0.00 0.77 0.00 0.00 66.41 66.49 3dqz h THR 65 Cb 0.57 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 3dqz h THR 65 CO 0.04 0.22 -0.59 -0.07 0.37 0.00 0.00 175.52 175.49 3dqz h LEU 66 N 0.49 0.74 -0.48 2.58 3.38 -1.26 -3.13 115.31 117.63 3dqz h LEU 66 Ca 0.13 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.75 3dqz h LEU 66 Cb 0.20 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3dqz h LEU 66 CO -0.01 1.16 0.19 0.50 0.09 0.00 0.00 178.44 180.37 3dqz h LYS 67 N 0.49 0.37 -0.71 1.13 3.64 -0.67 -2.29 116.57 118.53 3dqz h LYS 67 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3dqz h LYS 67 Cb 1.17 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3dqz h LYS 67 CO 0.12 0.24 0.00 -1.13 -2.27 0.00 0.00 179.45 176.41 3dqz n SER 68 N -4.98 3.59 -4.75 4.20 3.41 -0.95 -4.92 113.62 109.22 3dqz n SER 68 Ca 0.04 -2.47 -0.41 0.00 -0.26 0.00 0.00 58.87 55.78 3dqz n SER 68 Cb 0.18 -0.56 -0.04 0.00 -0.26 0.00 0.00 64.21 63.52 3dqz n SER 68 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3dqz s LEU 69 N -1.54 4.52 0.20 1.04 2.96 -0.86 -4.96 118.68 120.04 3dqz s LEU 69 Ca 0.32 2.14 -0.32 0.00 -0.22 0.00 0.00 54.13 56.06 3dqz s LEU 69 Cb 0.23 -3.61 -0.15 0.00 0.50 0.00 0.00 46.19 43.15 3dqz s LEU 69 CO 0.11 -0.17 1.09 -2.65 -1.32 0.00 0.00 176.35 173.41 3dqz n PRO 70 N 1.89 1.11 -1.06 0.98 -0.02 -1.26 -4.84 135.00 131.80 3dqz n PRO 70 Ca 0.01 0.39 -0.34 0.00 -2.02 0.00 0.00 63.50 61.55 3dqz n PRO 70 Cb 0.46 -1.83 0.12 0.00 -0.02 0.00 0.00 33.50 32.22 3dqz n PRO 70 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3dqz n GLU 71 N 1.49 0.10 -0.35 -0.52 1.02 -1.26 -2.10 120.64 119.02 3dqz n GLU 71 Ca 0.14 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 3dqz n GLU 71 Cb 0.26 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.43 3dqz n GLU 71 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3dqz n ASN 72 N -2.56 0.00 -4.76 1.62 3.02 -1.26 -4.94 115.26 106.38 3dqz n ASN 72 Ca 0.12 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.27 3dqz n ASN 72 Cb 0.51 -1.54 -0.06 0.00 -0.61 0.00 0.00 39.78 38.08 3dqz n ASN 72 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3dqz s GLU 73 N -0.42 4.78 0.07 3.52 2.12 -0.89 -5.07 118.70 122.82 3dqz s GLU 73 Ca 0.00 1.51 0.08 0.00 0.36 0.00 0.00 54.97 56.92 3dqz s GLU 73 Cb 0.00 -3.19 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 3dqz s GLU 73 CO 0.00 0.44 -0.22 -1.21 -0.54 0.00 0.00 175.26 173.72 3dqz s GLU 74 N -1.36 1.35 0.35 4.30 2.02 -1.26 -4.62 118.70 119.49 3dqz s GLU 74 Ca 0.43 -1.09 0.08 0.00 0.02 0.00 0.00 54.97 54.42 3dqz s GLU 74 Cb -0.26 -1.58 -0.07 0.00 0.10 0.00 0.00 34.13 32.33 3dqz s GLU 74 CO 0.32 0.39 -0.06 0.14 0.02 0.00 0.00 175.26 176.07 3dqz s VAL 75 N -0.95 2.07 -0.45 2.63 -7.23 0.23 -4.55 120.40 112.14 3dqz s VAL 75 Ca 0.08 -2.14 -0.16 0.00 -1.81 0.00 0.00 61.98 57.95 3dqz s VAL 75 Cb -0.09 -2.72 0.05 0.00 0.56 0.00 0.00 36.38 34.18 3dqz s VAL 75 CO 0.03 -0.16 0.43 -0.63 -0.31 0.00 0.00 175.10 174.46 3dqz s ILE 76 N -2.71 5.14 -0.38 -0.62 1.01 -0.45 -1.23 121.20 121.96 3dqz s ILE 76 Ca 0.33 -0.70 -0.18 0.00 0.00 0.00 0.00 60.65 60.10 3dqz s ILE 76 Cb 0.05 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.43 3dqz s ILE 76 CO 0.16 -0.52 0.51 -0.22 0.00 0.00 0.00 174.94 174.87 3dqz s LEU 77 N 1.95 4.47 -0.27 2.97 2.96 -0.66 -1.17 118.68 128.92 3dqz s LEU 77 Ca 0.08 -0.20 -0.09 0.00 -0.22 0.00 0.00 54.13 53.70 3dqz s LEU 77 Cb -0.20 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.90 3dqz s LEU 77 CO 0.10 -0.54 0.13 -0.69 -1.32 0.00 0.00 176.35 174.03 3dqz s VAL 78 N 2.40 4.70 -0.25 1.68 1.01 0.38 -0.04 120.40 130.27 3dqz s VAL 78 Ca 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 3dqz s VAL 78 Cb -0.16 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 32.98 3dqz s VAL 78 CO 0.14 0.25 -0.03 -0.83 0.00 0.00 0.00 175.10 174.63 3dqz s GLY 79 N 1.66 1.65 -0.26 4.51 0.00 0.07 -0.34 107.32 114.62 3dqz s GLY 79 Ca 0.06 -1.39 -0.12 0.00 0.00 0.00 0.00 44.72 43.27 3dqz s GLY 79 CO 0.07 0.53 0.23 -0.12 0.00 0.00 0.00 173.10 173.80 3dqz s PHE 80 N 1.40 3.27 0.00 1.90 5.36 -0.39 -1.56 117.98 127.95 3dqz s PHE 80 Ca 0.02 0.25 0.00 0.00 -0.96 0.00 0.00 56.93 56.24 3dqz s PHE 80 Cb -0.16 -2.39 0.00 0.00 -0.34 0.00 0.00 43.02 40.13 3dqz s PHE 80 CO -0.03 -0.08 0.00 0.45 -1.46 0.00 0.00 175.22 174.10 3dqz n SER 81 N 4.79 0.00 0.05 6.13 2.88 -0.85 -0.27 113.62 126.35 3dqz n SER 81 Ca -0.13 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.51 3dqz n SER 81 Cb 0.52 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 64.38 3dqz n SER 81 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 3dqz n PHE 82 N 2.51 0.30 0.29 0.66 7.35 -1.26 -0.61 117.46 126.70 3dqz n PHE 82 Ca 0.00 0.11 0.10 0.00 -0.76 0.00 0.00 57.45 56.90 3dqz n PHE 82 Cb 0.00 -0.68 0.46 0.00 0.35 0.00 0.00 39.48 39.61 3dqz n PHE 82 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3dqz n GLY 83 N 0.25 -1.03 0.26 7.13 0.00 0.62 -2.07 105.19 110.35 3dqz n GLY 83 Ca 0.04 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 3dqz n GLY 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3dqz h GLY 84 N 1.30 0.85 0.93 -0.02 0.00 -1.56 -1.15 103.07 103.41 3dqz h GLY 84 Ca 0.00 -0.80 -0.06 0.00 0.00 0.00 0.00 47.33 46.47 3dqz h GLY 84 CO 0.00 0.73 0.01 -2.22 0.00 0.00 0.00 176.54 175.05 3dqz h ILE 85 N 0.66 1.26 -0.48 2.60 5.03 -1.50 -2.38 117.51 122.70 3dqz h ILE 85 Ca 0.07 -0.97 0.07 0.00 -0.12 0.00 0.00 64.86 63.91 3dqz h ILE 85 Cb 0.86 1.16 -0.06 0.00 -3.03 0.00 0.00 36.82 35.75 3dqz h ILE 85 CO 0.08 0.32 0.12 0.78 -0.68 0.00 0.00 178.15 178.77 3dqz h ASN 86 N 0.47 0.07 0.07 1.72 -0.26 -1.44 0.02 115.58 116.22 3dqz h ASN 86 Ca 0.11 0.07 -0.17 0.00 -0.56 0.00 0.00 56.30 55.75 3dqz h ASN 86 Cb 0.45 0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 37.80 3dqz h ASN 86 CO 0.02 0.07 -0.62 0.16 -1.06 0.00 0.00 177.43 175.99 3dqz h ILE 87 N 0.27 1.33 -0.46 2.81 3.07 -1.19 -0.98 117.51 122.35 3dqz h ILE 87 Ca 0.23 -1.91 0.02 0.00 1.55 0.00 0.00 64.86 64.76 3dqz h ILE 87 Cb 0.29 1.89 -0.03 0.00 -0.27 0.00 0.00 36.82 38.69 3dqz h ILE 87 CO -0.28 0.59 0.27 0.00 -1.05 0.00 0.00 178.15 177.68 3dqz h ALA 88 N 0.91 0.59 -0.27 0.16 0.00 -1.13 0.27 119.26 119.80 3dqz h ALA 88 Ca -0.01 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3dqz h ALA 88 Cb 1.19 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 3dqz h ALA 88 CO 0.12 -0.05 -0.15 -0.07 0.00 0.00 0.00 179.25 179.09 3dqz h LEU 89 N 0.54 -0.50 -0.87 0.00 4.07 -0.72 -2.39 115.31 115.43 3dqz h LEU 89 Ca 0.19 0.11 -0.07 0.00 0.08 0.00 0.00 57.88 58.19 3dqz h LEU 89 Cb 0.03 0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.02 3dqz h LEU 89 CO -0.09 -0.19 0.07 0.00 -1.08 0.00 0.00 178.44 177.15 3dqz h ALA 90 N 1.07 1.07 0.00 1.53 0.00 -0.69 -2.80 119.26 119.44 3dqz h ALA 90 Ca 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3dqz h ALA 90 Cb 0.34 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3dqz h ALA 90 CO -0.35 0.60 -0.15 0.00 0.00 0.00 0.00 179.25 179.35 3dqz h ALA 91 N 1.22 1.16 -0.00 0.00 0.00 -0.24 -0.05 119.26 121.35 3dqz h ALA 91 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3dqz h ALA 91 Cb 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3dqz h ALA 91 CO 0.01 0.19 -0.18 -3.47 0.00 0.00 0.00 179.25 175.80 3dqz n ASP 92 N -3.50 0.18 -0.10 0.00 2.03 -0.92 -2.26 116.55 111.99 3dqz n ASP 92 Ca -0.01 0.21 -0.19 0.00 0.52 0.00 0.00 54.79 55.33 3dqz n ASP 92 Cb 0.31 -0.23 -0.08 0.00 -0.72 0.00 0.00 41.12 40.40 3dqz n ASP 92 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3dqz n ILE 93 N -1.49 1.09 -2.86 5.18 5.41 -0.75 -4.70 119.36 121.24 3dqz n ILE 93 Ca 0.07 -0.33 -0.25 0.00 1.00 0.00 0.00 62.75 63.24 3dqz n ILE 93 Cb 0.34 -1.56 -0.03 0.00 -0.71 0.00 0.00 39.64 37.68 3dqz n ILE 93 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3dqz n PHE 94 N -3.60 3.17 0.19 1.39 3.72 -0.11 -4.92 117.46 117.30 3dqz n PHE 94 Ca -0.37 -3.71 0.15 0.00 -0.05 0.00 0.00 57.45 53.46 3dqz n PHE 94 Cb 0.81 -0.38 0.75 0.00 -0.94 0.00 0.00 39.48 39.71 3dqz n PHE 94 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3dqz h PRO 95 N 2.90 0.00 -0.00 -1.08 0.13 -1.66 -1.79 132.00 130.50 3dqz h PRO 95 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3dqz h PRO 95 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3dqz h PRO 95 CO 0.76 0.00 -0.25 0.00 -0.23 0.00 0.00 178.00 178.28 3dqz n ALA 96 N -2.47 2.97 1.21 -0.56 0.00 -1.26 -2.96 120.51 117.43 3dqz n ALA 96 Ca 0.01 -0.26 0.12 0.00 0.00 0.00 0.00 53.44 53.32 3dqz n ALA 96 Cb 0.29 -1.28 0.39 0.00 0.00 0.00 0.00 19.45 18.85 3dqz n ALA 96 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dqz n LYS 97 N -1.34 1.83 -3.91 0.00 5.02 -0.67 -4.78 118.16 114.30 3dqz n LYS 97 Ca 0.08 -1.23 -0.30 0.00 -2.02 0.00 0.00 58.31 54.84 3dqz n LYS 97 Cb 0.33 -1.44 -0.16 0.00 -0.02 0.00 0.00 35.03 33.74 3dqz n LYS 97 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3dqz s ILE 98 N -1.84 1.41 0.13 -0.18 1.01 -1.16 -0.61 121.20 119.97 3dqz s ILE 98 Ca 0.34 -1.14 0.03 0.00 0.00 0.00 0.00 60.65 59.88 3dqz s ILE 98 Cb 0.19 -1.71 -0.20 0.00 0.01 0.00 0.00 42.46 40.76 3dqz s ILE 98 CO 0.29 -0.12 1.30 0.07 0.00 0.00 0.00 174.94 176.48 3dqz h LYS 99 N 7.99 0.12 -2.40 2.79 2.10 -1.45 -3.44 116.57 122.28 3dqz h LYS 99 Ca -0.18 -0.17 -0.07 0.00 -2.00 0.00 0.00 60.65 58.23 3dqz h LYS 99 Cb 1.08 0.06 -0.23 0.00 -0.90 0.00 0.00 32.23 32.23 3dqz h LYS 99 CO 0.40 1.01 -0.12 0.54 -2.00 0.00 0.00 179.45 179.29 3dqz s VAL 100 N -2.89 -0.01 -0.11 0.07 0.11 -1.22 -4.24 120.40 112.11 3dqz s VAL 100 Ca -0.01 0.03 -0.20 0.00 -2.93 0.00 0.00 61.98 58.86 3dqz s VAL 100 Cb 0.10 -0.76 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 3dqz s VAL 100 CO 0.83 0.01 0.55 -0.76 -3.33 0.00 0.00 175.10 172.41 3dqz s LEU 101 N 0.86 4.28 -0.34 2.54 1.43 0.22 -1.65 118.68 126.02 3dqz s LEU 101 Ca -0.05 0.93 -0.05 0.00 -1.03 0.00 0.00 54.13 53.94 3dqz s LEU 101 Cb -0.05 -2.83 0.05 0.00 0.03 0.00 0.00 46.19 43.40 3dqz s LEU 101 CO -0.07 -0.05 0.10 -0.69 0.23 0.00 0.00 176.35 175.86 3dqz s VAL 102 N 0.76 3.51 -0.60 -1.59 1.01 0.94 -1.22 120.40 123.21 3dqz s VAL 102 Ca 0.30 -1.34 -0.22 0.00 0.00 0.00 0.00 61.98 60.72 3dqz s VAL 102 Cb -0.16 -3.06 0.07 0.00 0.00 0.00 0.00 36.38 33.23 3dqz s VAL 102 CO 0.13 -0.24 0.86 -0.36 0.00 0.00 0.00 175.10 175.48 3dqz s PHE 103 N 1.33 2.81 -0.41 5.22 0.40 -0.68 -0.75 117.98 125.90 3dqz s PHE 103 Ca -0.01 -0.50 -0.18 0.00 -0.60 0.00 0.00 56.93 55.64 3dqz s PHE 103 Cb -0.20 -4.07 0.02 0.00 0.51 0.00 0.00 43.02 39.27 3dqz s PHE 103 CO 0.01 -1.42 0.50 -1.17 0.70 0.00 0.00 175.22 173.83 3dqz s LEU 104 N 3.57 4.69 -1.45 -0.37 2.96 -0.60 -0.69 118.68 126.78 3dqz s LEU 104 Ca 0.21 -0.49 -0.18 0.00 -0.22 0.00 0.00 54.13 53.44 3dqz s LEU 104 Cb -0.18 -2.50 0.18 0.00 0.50 0.00 0.00 46.19 44.20 3dqz s LEU 104 CO 0.12 -0.61 0.46 0.59 -1.32 0.00 0.00 176.35 175.58 3dqz n ASN 105 N 5.79 -1.58 -4.91 3.68 3.02 0.12 -2.00 115.26 119.39 3dqz n ASN 105 Ca -0.06 -0.88 -0.21 0.00 -0.03 0.00 0.00 54.58 53.41 3dqz n ASN 105 Cb 0.48 -1.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.22 3dqz n ASN 105 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dqz s ALA 106 N -2.89 3.86 -0.12 5.41 0.00 -1.26 -3.13 121.76 123.63 3dqz s ALA 106 Ca 0.65 -1.41 -0.30 0.00 0.00 0.00 0.00 51.96 50.90 3dqz s ALA 106 Cb -0.38 -1.48 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 3dqz s ALA 106 CO 0.79 0.15 1.16 -0.06 0.00 0.00 0.00 175.76 177.81 3dqz s PHE 107 N -2.13 3.17 -0.53 0.00 0.08 0.22 -4.84 117.98 113.94 3dqz s PHE 107 Ca 0.37 1.25 -0.13 0.00 0.12 0.00 0.00 56.93 58.54 3dqz s PHE 107 Cb -0.08 -3.39 0.13 0.00 -0.57 0.00 0.00 43.02 39.12 3dqz s PHE 107 CO 0.28 -1.13 0.46 -1.17 -0.10 0.00 0.00 175.22 173.55 3dqz s LEU 108 N 2.65 6.03 0.59 -0.37 2.96 -1.26 -3.74 118.68 125.53 3dqz s LEU 108 Ca 0.53 -1.92 -0.15 0.00 -0.22 0.00 0.00 54.13 52.37 3dqz s LEU 108 Cb -0.22 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 3dqz s LEU 108 CO 0.17 -0.77 1.03 -2.16 -1.32 0.00 0.00 176.35 173.31 3dqz s PRO 109 N 1.39 3.48 0.00 0.98 0.05 -1.26 -4.90 135.00 134.73 3dqz s PRO 109 Ca 0.05 1.06 0.00 0.00 0.05 0.00 0.00 61.00 62.16 3dqz s PRO 109 Cb -0.27 -2.06 0.00 0.00 0.05 0.00 0.00 34.50 32.22 3dqz s PRO 109 CO 0.01 -0.67 0.00 -0.40 0.05 0.00 0.00 177.00 175.99 3dqz n ASP 110 N -2.10 0.11 -0.15 6.66 5.68 -1.26 -5.01 116.55 120.47 3dqz n ASP 110 Ca 0.08 -0.28 0.05 0.00 -0.50 0.00 0.00 54.79 54.14 3dqz n ASP 110 Cb 0.53 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.59 3dqz n ASP 110 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 3dqz n THR 111 N -0.27 1.17 0.00 2.12 5.66 -1.26 -4.38 114.28 117.32 3dqz n THR 111 Ca 0.00 -1.38 0.00 0.00 -3.05 0.00 0.00 64.05 59.62 3dqz n THR 111 Cb 0.00 0.14 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 3dqz n THR 111 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 3dqz n THR 112 N -0.85 0.00 -3.38 1.09 -1.04 -1.26 -4.75 114.28 104.08 3dqz n THR 112 Ca 0.09 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.89 3dqz n THR 112 Cb 0.58 -0.38 -0.00 0.00 -1.82 0.00 0.00 70.33 68.71 3dqz n THR 112 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 3dqz s HIS 113 N -1.76 2.35 0.66 -1.42 3.76 -1.26 -5.06 115.29 112.56 3dqz s HIS 113 Ca 0.00 -0.56 -0.17 0.00 -0.15 0.00 0.00 55.06 54.18 3dqz s HIS 113 Cb 0.00 -2.19 -0.02 0.00 1.11 0.00 0.00 32.58 31.48 3dqz s HIS 113 CO 0.00 -0.42 0.96 1.33 -0.85 0.00 0.00 174.74 175.76 3dqz n VAL 114 N -1.77 3.40 -0.07 -0.90 0.24 -1.26 -4.64 118.33 113.32 3dqz n VAL 114 Ca 0.06 -0.45 0.21 0.00 -2.04 0.00 0.00 64.34 62.13 3dqz n VAL 114 Cb 0.61 -1.13 0.67 0.00 -1.47 0.00 0.00 33.84 32.52 3dqz n VAL 114 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3dqz h PRO 115 N 0.12 0.07 0.00 7.34 0.11 -1.77 -0.73 132.00 137.14 3dqz h PRO 115 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3dqz h PRO 115 Cb 1.35 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3dqz h PRO 115 CO 0.49 0.04 0.00 -1.13 -0.21 0.00 0.00 178.00 177.19 3dqz n SER 116 N -4.37 0.00 -0.30 -2.05 3.41 -1.22 -4.51 113.62 104.57 3dqz n SER 116 Ca 0.13 0.30 -0.09 0.00 -0.26 0.00 0.00 58.87 58.95 3dqz n SER 116 Cb 0.68 -0.43 -0.08 0.00 -0.26 0.00 0.00 64.21 64.12 3dqz n SER 116 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 3dqz h HIS 117 N 0.00 -1.48 0.00 7.33 6.17 -1.46 0.14 115.15 125.85 3dqz h HIS 117 Ca 0.00 0.10 -0.00 0.00 0.71 0.00 0.00 60.37 61.17 3dqz h HIS 117 Cb 0.41 0.74 -0.00 0.00 2.52 0.00 0.00 27.41 31.08 3dqz h HIS 117 CO 0.00 -0.30 -0.02 -0.39 0.71 0.00 0.00 177.93 177.93 3dqz h VAL 118 N -0.04 0.06 0.02 5.26 -1.51 -1.83 -0.53 116.25 117.68 3dqz h VAL 118 Ca 0.12 -0.40 -0.21 0.00 -1.23 0.00 0.00 66.70 64.98 3dqz h VAL 118 Cb 0.34 1.37 0.02 0.00 -2.13 0.00 0.00 31.29 30.89 3dqz h VAL 118 CO -0.71 0.02 -0.83 -0.07 -1.23 0.00 0.00 177.57 174.75 3dqz h LEU 119 N 0.00 0.70 0.22 4.19 3.38 -1.13 -2.41 115.31 120.26 3dqz h LEU 119 Ca -0.00 -0.77 -0.01 0.00 0.09 0.00 0.00 57.88 57.19 3dqz h LEU 119 Cb 0.37 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3dqz h LEU 119 CO 0.00 1.38 -0.11 0.44 0.09 0.00 0.00 178.44 180.25 3dqz h ASP 120 N 0.10 -0.25 -0.50 -0.43 3.32 -0.33 -1.12 116.42 117.20 3dqz h ASP 120 Ca -0.11 -0.13 0.14 0.00 0.02 0.00 0.00 57.03 56.95 3dqz h ASP 120 Cb 1.53 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 41.12 3dqz h ASP 120 CO 0.16 -0.01 0.36 0.50 -1.72 0.00 0.00 179.24 178.53 3dqz h LYS 121 N -0.49 0.04 0.01 3.56 1.63 -1.22 -1.25 116.57 118.84 3dqz h LYS 121 Ca -0.03 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3dqz h LYS 121 Cb 0.37 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 3dqz h LYS 121 CO 0.05 0.03 -0.00 -0.92 -3.45 0.00 0.00 179.45 175.15 3dqz h TYR 122 N 0.04 -0.01 0.00 1.91 3.20 -1.17 -3.18 116.97 117.77 3dqz h TYR 122 Ca 0.24 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 3dqz h TYR 122 Cb 0.89 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.16 3dqz h TYR 122 CO -0.00 0.52 -0.01 0.52 -1.64 0.00 0.00 178.16 177.55 3dqz h MET 123 N -0.54 0.00 0.00 1.82 2.86 -0.24 -1.44 114.93 117.39 3dqz h MET 123 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dqz h MET 123 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 3dqz h MET 123 CO 0.00 0.01 0.00 0.39 1.06 0.00 0.00 176.91 178.37 3dqz n GLU 124 N -3.19 0.08 -1.84 1.72 1.02 -0.57 -4.79 120.64 113.07 3dqz n GLU 124 Ca -0.02 0.09 -0.42 0.00 -0.02 0.00 0.00 57.16 56.79 3dqz n GLU 124 Cb 0.13 -1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 29.93 3dqz n GLU 124 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3dqz s MET 125 N -3.04 4.17 0.78 3.49 -1.94 -0.54 -4.97 119.30 117.26 3dqz s MET 125 Ca 0.12 2.46 -0.10 0.00 -1.71 0.00 0.00 55.69 56.46 3dqz s MET 125 Cb 0.16 -3.39 0.06 0.00 2.01 0.00 0.00 34.83 33.67 3dqz s MET 125 CO 0.52 -0.73 1.10 -1.25 -0.01 0.00 0.00 175.02 174.65 3dqz s PRO 126 N 2.03 2.17 0.00 2.03 0.04 -1.26 -4.57 135.00 135.43 3dqz s PRO 126 Ca 0.75 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.99 3dqz s PRO 126 Cb -0.44 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.21 3dqz s PRO 126 CO 0.33 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 176.06 3dqz n GLY 127 N -1.10 3.87 0.00 0.56 0.00 -1.26 -5.08 105.19 102.18 3dqz n GLY 127 Ca 0.09 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3dqz n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dqz n GLY 128 N 0.00 0.74 2.40 -0.02 0.00 -1.26 -4.85 105.19 102.19 3dqz n GLY 128 Ca 0.00 -2.18 -0.21 0.00 0.00 0.00 0.00 46.02 43.63 3dqz n GLY 128 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dqz n LEU 129 N 0.00 3.97 0.00 0.99 4.77 -1.26 -5.10 117.00 120.36 3dqz n LEU 129 Ca 0.00 -4.61 0.00 0.00 -0.03 0.00 0.00 56.01 51.37 3dqz n LEU 129 Cb 0.00 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3dqz n LEU 129 CO 0.00 1.97 0.00 0.61 -1.33 0.00 0.00 177.39 178.64 3dqz n GLY 130 N -0.51 3.11 1.21 -0.72 0.00 -1.26 -1.85 105.19 105.17 3dqz n GLY 130 Ca 0.33 -0.10 0.07 0.00 0.00 0.00 0.00 46.02 46.31 3dqz n GLY 130 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dqz n ASP 131 N 3.01 3.54 -4.63 1.61 5.75 -1.26 -4.96 116.55 119.61 3dqz n ASP 131 Ca 0.00 -2.32 -0.36 0.00 -0.01 0.00 0.00 54.79 52.10 3dqz n ASP 131 Cb 0.00 -0.49 0.08 0.00 -1.03 0.00 0.00 41.12 39.69 3dqz n ASP 131 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dqz s GLU 133 N -3.27 2.58 0.11 0.00 2.02 0.19 -4.86 118.70 115.47 3dqz s GLU 133 Ca 0.75 -1.16 -0.24 0.00 0.02 0.00 0.00 54.97 54.34 3dqz s GLU 133 Cb -0.36 -3.09 -0.07 0.00 0.10 0.00 0.00 34.13 30.72 3dqz s GLU 133 CO 0.48 -0.53 0.75 -0.06 0.02 0.00 0.00 175.26 175.92 3dqz s PHE 134 N 1.27 3.83 0.23 1.61 0.08 -1.26 -1.52 117.98 122.22 3dqz s PHE 134 Ca -0.03 1.53 -0.02 0.00 0.12 0.00 0.00 56.93 58.52 3dqz s PHE 134 Cb -0.19 -2.76 -0.03 0.00 -0.57 0.00 0.00 43.02 39.48 3dqz s PHE 134 CO -0.03 0.43 0.23 -1.54 -0.10 0.00 0.00 175.22 174.21 3dqz s SER 135 N -0.71 0.30 0.18 1.36 1.04 -0.85 -4.99 113.70 110.04 3dqz s SER 135 Ca 0.36 -1.35 0.05 0.00 0.48 0.00 0.00 55.95 55.49 3dqz s SER 135 Cb -0.22 0.45 -0.05 0.00 0.10 0.00 0.00 66.02 66.31 3dqz s SER 135 CO 0.24 -0.94 -0.08 -0.44 0.98 0.00 0.00 173.24 173.00 3dqz s SER 136 N -3.16 1.94 -0.21 7.02 0.01 -1.26 -0.89 113.70 117.15 3dqz s SER 136 Ca 0.36 -1.08 -0.08 0.00 1.31 0.00 0.00 55.95 56.46 3dqz s SER 136 Cb 0.05 -0.03 0.09 0.00 0.21 0.00 0.00 66.02 66.34 3dqz s SER 136 CO 0.14 -0.36 0.46 -2.28 0.41 0.00 0.00 173.24 171.60 3dqz s HIS 137 N -3.30 -0.85 0.13 2.43 5.04 -0.22 -4.88 115.29 113.65 3dqz s HIS 137 Ca 0.21 1.62 -0.30 0.00 -1.54 0.00 0.00 55.06 55.05 3dqz s HIS 137 Cb 0.03 0.38 -0.07 0.00 0.04 0.00 0.00 32.58 32.96 3dqz s HIS 137 CO 0.04 -0.49 1.10 -1.21 -2.34 0.00 0.00 174.74 171.85 3dqz s GLU 138 N 2.41 4.56 0.41 2.88 2.02 -1.26 0.50 118.70 130.22 3dqz s GLU 138 Ca -0.04 1.68 0.04 0.00 0.02 0.00 0.00 54.97 56.67 3dqz s GLU 138 Cb -0.11 -3.32 -0.03 0.00 0.10 0.00 0.00 34.13 30.78 3dqz s GLU 138 CO -0.14 0.00 0.11 0.95 0.02 0.00 0.00 175.26 176.21 3dqz s THR 139 N 0.16 0.71 0.60 3.63 -4.23 0.02 -4.91 115.64 111.62 3dqz s THR 139 Ca 0.51 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.31 3dqz s THR 139 Cb -0.28 -2.38 0.37 0.00 1.34 0.00 0.00 72.50 71.54 3dqz s THR 139 CO 0.33 0.00 1.95 -0.09 -0.54 0.00 0.00 174.62 176.27 3dqz h ARG 140 N 1.79 0.00 -1.42 3.99 2.43 -1.98 -2.95 114.38 116.25 3dqz h ARG 140 Ca -0.37 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.28 3dqz h ARG 140 Cb 1.27 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 30.41 3dqz h ARG 140 CO 0.59 0.00 -0.87 0.09 -1.51 0.00 0.00 179.97 178.28 3dqz n ASN 141 N -3.64 3.72 0.00 -3.80 4.13 -1.26 -5.10 115.26 109.31 3dqz n ASN 141 Ca 0.05 -3.42 0.00 0.00 1.68 0.00 0.00 54.58 52.89 3dqz n ASN 141 Cb 0.55 -0.49 0.00 0.00 -1.54 0.00 0.00 39.78 38.30 3dqz n ASN 141 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dqz n GLY 142 N -0.34 -2.37 3.81 7.41 0.00 -1.11 -4.94 105.19 107.66 3dqz n GLY 142 Ca 0.30 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.27 3dqz n GLY 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dqz s THR 143 N -0.37 4.42 -0.11 2.61 -4.23 -1.26 -0.80 115.64 115.90 3dqz s THR 143 Ca 0.00 1.46 0.00 0.00 -1.18 0.00 0.00 61.69 61.97 3dqz s THR 143 Cb 0.00 -3.75 -0.02 0.00 1.34 0.00 0.00 72.50 70.07 3dqz s THR 143 CO 0.00 -0.10 -0.12 -0.32 -0.54 0.00 0.00 174.62 173.54 3dqz s MET 144 N -2.68 3.20 -0.19 3.99 1.75 0.18 -4.86 119.30 120.70 3dqz s MET 144 Ca 0.55 -0.66 -0.20 0.00 -1.25 0.00 0.00 55.69 54.13 3dqz s MET 144 Cb -0.13 -2.61 -0.03 0.00 2.84 0.00 0.00 34.83 34.90 3dqz s MET 144 CO 0.18 0.33 0.60 -1.12 -0.65 0.00 0.00 175.02 174.36 3dqz s SER 145 N 0.06 6.67 0.30 1.11 0.01 -1.26 -1.06 113.70 119.53 3dqz s SER 145 Ca -0.04 0.81 0.07 0.00 1.31 0.00 0.00 55.95 58.10 3dqz s SER 145 Cb -0.14 -2.34 -0.03 0.00 0.21 0.00 0.00 66.02 63.72 3dqz s SER 145 CO 0.04 -0.23 0.24 -0.76 0.41 0.00 0.00 173.24 172.94 3dqz s LEU 146 N 1.74 3.67 -0.14 2.44 1.43 -0.07 -4.34 118.68 123.42 3dqz s LEU 146 Ca 0.28 -0.40 -0.16 0.00 -1.03 0.00 0.00 54.13 52.81 3dqz s LEU 146 Cb -0.16 -2.25 0.04 0.00 0.03 0.00 0.00 46.19 43.86 3dqz s LEU 146 CO 0.10 -0.21 0.44 -0.22 0.23 0.00 0.00 176.35 176.70 3dqz s LEU 147 N -3.92 0.31 -0.05 1.79 2.96 -0.04 -2.00 118.68 117.72 3dqz s LEU 147 Ca 0.37 0.79 0.03 0.00 -0.22 0.00 0.00 54.13 55.10 3dqz s LEU 147 Cb -0.07 1.56 0.01 0.00 0.50 0.00 0.00 46.19 48.19 3dqz s LEU 147 CO 0.26 -0.21 -0.12 -0.75 -1.32 0.00 0.00 176.35 174.20 3dqz s LYS 148 N -0.03 1.53 0.73 1.98 2.20 -0.57 -0.55 119.74 125.03 3dqz s LYS 148 Ca -0.02 -0.41 -0.12 0.00 -0.36 0.00 0.00 55.97 55.05 3dqz s LYS 148 Cb -0.03 -1.30 0.04 0.00 -1.51 0.00 0.00 37.83 35.02 3dqz s LYS 148 CO 0.02 0.08 1.11 -1.64 -0.36 0.00 0.00 175.35 174.55 3dqz s MET 149 N 0.48 2.41 0.14 4.03 -1.94 -1.26 0.57 119.30 123.72 3dqz s MET 149 Ca -0.10 1.29 0.05 0.00 -1.71 0.00 0.00 55.69 55.22 3dqz s MET 149 Cb -0.14 -1.91 -0.04 0.00 2.01 0.00 0.00 34.83 34.76 3dqz s MET 149 CO 0.03 -1.54 0.08 0.20 -0.01 0.00 0.00 175.02 173.77 3dqz s GLY 150 N -2.99 1.81 0.20 -0.03 0.00 -1.25 -4.70 107.32 100.36 3dqz s GLY 150 Ca 0.64 -1.18 -0.11 0.00 0.00 0.00 0.00 44.72 44.07 3dqz s GLY 150 CO 0.50 -1.18 1.83 -2.55 0.00 0.00 0.00 173.10 171.70 3dqz h PRO 151 N 2.81 0.74 -0.34 2.90 0.11 -1.97 -1.03 132.00 135.21 3dqz h PRO 151 Ca -0.47 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 3dqz h PRO 151 Cb 1.19 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3dqz h PRO 151 CO 0.62 0.49 0.12 0.87 -0.21 0.00 0.00 178.00 179.89 3dqz h LYS 152 N 0.76 0.53 -0.49 1.05 1.57 -1.96 -1.02 116.57 117.01 3dqz h LYS 152 Ca 0.26 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3dqz h LYS 152 Cb 0.04 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3dqz h LYS 152 CO -0.11 0.54 0.33 0.35 -0.57 0.00 0.00 179.45 179.99 3dqz h PHE 153 N 0.40 0.62 -0.12 -1.35 3.04 -1.81 -1.46 116.94 116.26 3dqz h PHE 153 Ca 0.11 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.08 3dqz h PHE 153 Cb 0.23 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 3dqz h PHE 153 CO 0.00 0.39 0.07 0.52 -2.02 0.00 0.00 178.31 177.27 3dqz h MET 154 N 0.66 0.15 -0.33 1.11 2.86 -1.04 -0.34 114.93 118.00 3dqz h MET 154 Ca 0.18 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.73 3dqz h MET 154 Cb -0.07 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3dqz h MET 154 CO -0.04 0.10 -0.14 -0.22 1.06 0.00 0.00 176.91 177.67 3dqz h LYS 155 N 0.15 0.57 0.00 1.72 3.64 -1.02 0.71 116.57 122.35 3dqz h LYS 155 Ca 0.04 -0.18 -0.23 0.00 -1.27 0.00 0.00 60.65 59.01 3dqz h LYS 155 Cb -0.02 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 3dqz h LYS 155 CO -0.01 0.70 -1.52 0.00 -2.27 0.00 0.00 179.45 176.35 3dqz h ALA 156 N 1.33 0.70 0.00 5.00 0.00 -1.18 -2.98 119.26 122.14 3dqz h ALA 156 Ca 0.09 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.83 3dqz h ALA 156 Cb 0.55 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3dqz h ALA 156 CO 0.03 1.29 -0.27 0.54 0.00 0.00 0.00 179.25 180.84 3dqz n ARG 157 N -3.01 4.85 -0.03 0.00 1.74 -0.15 -4.65 116.66 115.41 3dqz n ARG 157 Ca -0.12 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.91 3dqz n ARG 157 Cb 0.96 -0.61 -0.03 0.00 -1.02 0.00 0.00 32.46 31.75 3dqz n ARG 157 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3dqz n LEU 158 N -1.08 2.89 -0.54 0.55 4.32 -0.32 -2.19 117.00 120.63 3dqz n LEU 158 Ca 0.00 -0.03 0.09 0.00 -0.02 0.00 0.00 56.01 56.05 3dqz n LEU 158 Cb 0.00 -0.20 0.20 0.00 -1.62 0.00 0.00 43.42 41.81 3dqz n LEU 158 CO 0.00 0.58 0.65 -1.22 -1.22 0.00 0.00 177.39 176.18 3dqz n TYR 159 N -2.66 0.53 -0.13 -1.77 4.02 0.09 -2.80 117.16 114.45 3dqz n TYR 159 Ca -0.10 -0.91 0.23 0.00 -0.01 0.00 0.00 57.90 57.10 3dqz n TYR 159 Cb 0.61 -0.24 0.66 0.00 -0.02 0.00 0.00 39.34 40.35 3dqz n TYR 159 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3dqz h GLN 160 N 1.04 0.10 -0.38 -0.72 7.50 -1.75 -0.87 115.11 120.04 3dqz h GLN 160 Ca 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.14 3dqz h GLN 160 Cb 1.23 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.74 3dqz h GLN 160 CO 0.12 0.07 0.00 0.09 -1.50 0.00 0.00 178.83 177.61 3dqz n ASN 161 N -4.36 3.01 -4.85 1.46 3.02 -1.26 -5.00 115.26 107.27 3dqz n ASN 161 Ca 0.15 -1.95 -0.33 0.00 -0.03 0.00 0.00 54.58 52.43 3dqz n ASN 161 Cb 0.76 -0.25 -0.06 0.00 -0.61 0.00 0.00 39.78 39.63 3dqz n ASN 161 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dqz n PRO 163 N -0.10 1.16 -0.05 0.00 -0.02 -1.26 -4.86 135.00 129.86 3dqz n PRO 163 Ca 0.01 0.43 0.09 0.00 -2.02 0.00 0.00 63.50 62.01 3dqz n PRO 163 Cb 0.53 -2.07 0.48 0.00 -0.02 0.00 0.00 33.50 32.41 3dqz n PRO 163 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3dqz h ILE 164 N 1.10 0.97 -0.84 4.25 6.09 -1.96 -1.41 117.51 125.71 3dqz h ILE 164 Ca -0.46 -0.16 0.10 0.00 -1.37 0.00 0.00 64.86 62.97 3dqz h ILE 164 Cb 1.35 0.47 -0.06 0.00 0.47 0.00 0.00 36.82 39.05 3dqz h ILE 164 CO 0.54 0.08 0.55 -0.33 -3.07 0.00 0.00 178.15 175.92 3dqz h GLU 165 N 0.45 0.79 -0.00 2.19 3.07 -1.99 -0.84 114.58 118.25 3dqz h GLU 165 Ca 0.23 -0.05 -0.18 0.00 -0.50 0.00 0.00 59.36 58.87 3dqz h GLU 165 Cb 0.34 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 3dqz h GLU 165 CO -0.06 0.52 -0.82 -0.44 -1.40 0.00 0.00 179.01 176.81 3dqz h ASP 166 N 0.81 0.13 -0.33 1.42 3.32 -1.60 0.16 116.42 120.33 3dqz h ASP 166 Ca 0.39 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.25 3dqz h ASP 166 Cb 0.42 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3dqz h ASP 166 CO -0.16 0.89 -0.15 0.22 -1.72 0.00 0.00 179.24 178.33 3dqz h TYR 167 N 0.06 0.77 -0.62 4.55 3.20 -1.35 -1.67 116.97 121.91 3dqz h TYR 167 Ca -0.02 -0.19 -0.03 0.00 3.14 0.00 0.00 58.73 61.62 3dqz h TYR 167 Cb 1.43 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.49 3dqz h TYR 167 CO 0.01 0.88 0.26 0.93 -1.64 0.00 0.00 178.16 178.61 3dqz h GLU 168 N 0.44 0.92 -0.61 1.82 4.39 -0.94 -1.38 114.58 119.23 3dqz h GLU 168 Ca 0.07 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3dqz h GLU 168 Cb 0.67 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 3dqz h GLU 168 CO 0.05 0.77 0.38 1.25 -1.16 0.00 0.00 179.01 180.30 3dqz h LEU 169 N 0.87 0.72 -0.52 1.33 5.85 -0.66 -2.52 115.31 120.38 3dqz h LEU 169 Ca 0.21 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3dqz h LEU 169 Cb 0.18 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3dqz h LEU 169 CO -0.02 0.55 0.25 0.00 -0.34 0.00 0.00 178.44 178.88 3dqz h ALA 170 N 1.20 0.67 -0.28 1.25 0.00 -0.99 -1.92 119.26 119.19 3dqz h ALA 170 Ca 0.22 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.09 3dqz h ALA 170 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3dqz h ALA 170 CO -0.04 0.23 0.23 0.87 0.00 0.00 0.00 179.25 180.53 3dqz h LYS 171 N 0.69 0.00 0.00 0.00 1.57 -0.96 0.25 116.57 118.12 3dqz h LYS 171 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3dqz h LYS 171 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3dqz h LYS 171 CO -0.02 0.00 -0.25 -1.33 -0.57 0.00 0.00 179.45 177.28 3dqz n MET 172 N -4.20 0.10 0.00 3.15 2.81 -0.75 -4.48 117.12 113.74 3dqz n MET 172 Ca 0.04 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 3dqz n MET 172 Cb 0.38 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 3dqz n MET 172 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3dqz n LEU 173 N -1.74 0.00 -4.75 4.03 4.77 -0.17 -5.07 117.00 114.08 3dqz n LEU 173 Ca 0.06 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.66 3dqz n LEU 173 Cb 0.37 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.50 3dqz n LEU 173 CO 0.31 0.00 0.95 -1.38 -1.33 0.00 0.00 177.39 175.95 3dqz s HIS 174 N -1.58 2.30 0.19 -1.77 -3.43 0.70 -4.79 115.29 106.91 3dqz s HIS 174 Ca 0.00 1.41 0.05 0.00 -0.80 0.00 0.00 55.06 55.72 3dqz s HIS 174 Cb 0.00 -3.73 -0.05 0.00 -1.43 0.00 0.00 32.58 27.37 3dqz s HIS 174 CO 0.00 -2.76 -0.07 1.03 -2.00 0.00 0.00 174.74 170.94 3dqz s ARG 175 N -2.99 1.22 0.24 -0.38 0.52 -0.70 -5.02 118.95 111.84 3dqz s ARG 175 Ca 0.73 -1.57 -0.30 0.00 -0.52 0.00 0.00 55.73 54.08 3dqz s ARG 175 Cb -0.38 -0.70 -0.09 0.00 0.52 0.00 0.00 34.95 34.29 3dqz s ARG 175 CO 0.45 0.02 1.31 -1.14 0.02 0.00 0.00 175.30 175.96 3dqz s GLN 176 N -3.78 4.38 0.00 3.54 0.74 -1.26 -4.32 119.66 118.97 3dqz s GLN 176 Ca 0.22 2.11 0.00 0.00 0.05 0.00 0.00 55.36 57.74 3dqz s GLN 176 Cb 0.03 -3.15 0.00 0.00 1.10 0.00 0.00 33.01 30.99 3dqz s GLN 176 CO 0.05 -0.23 0.00 0.41 -0.55 0.00 0.00 175.29 174.97 3dqz n GLY 177 N 1.89 4.93 3.27 2.59 0.00 0.28 -4.66 105.19 113.50 3dqz n GLY 177 Ca 0.04 -1.36 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 3dqz n GLY 177 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dqz s SER 178 N 1.02 -0.14 0.00 1.61 0.15 -1.26 -0.86 113.70 114.21 3dqz s SER 178 Ca 0.00 -0.27 0.23 0.00 0.70 0.00 0.00 55.95 56.60 3dqz s SER 178 Cb 0.00 0.40 0.04 0.00 -1.71 0.00 0.00 66.02 64.75 3dqz s SER 178 CO 0.00 -0.71 1.11 0.49 1.20 0.00 0.00 173.24 175.33 3dqz n PHE 179 N 0.22 0.00 -3.37 3.44 3.01 -1.26 -4.91 117.46 114.59 3dqz n PHE 179 Ca -0.17 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.05 3dqz n PHE 179 Cb 0.61 -0.02 0.01 0.00 -0.01 0.00 0.00 39.48 40.07 3dqz n PHE 179 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3dqz n PHE 180 N -0.48 -1.95 0.00 1.38 3.72 -1.26 -4.84 117.46 114.03 3dqz n PHE 180 Ca 0.08 0.57 0.04 0.00 -0.05 0.00 0.00 57.45 58.09 3dqz n PHE 180 Cb 0.42 -3.61 0.43 0.00 -0.94 0.00 0.00 39.48 35.78 3dqz n PHE 180 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3dqz h THR 181 N -1.32 1.10 -0.07 4.37 1.35 -1.93 0.78 112.91 117.19 3dqz h THR 181 Ca -0.49 -0.19 -0.08 0.00 -0.55 0.00 0.00 66.41 65.11 3dqz h THR 181 Cb 1.33 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3dqz h THR 181 CO 0.57 0.10 -0.25 -0.33 -0.25 0.00 0.00 175.52 175.36 3dqz h GLU 182 N 0.54 0.30 -0.73 4.72 3.07 -1.89 -2.12 114.58 118.47 3dqz h GLU 182 Ca 0.15 -0.22 -0.02 0.00 -0.50 0.00 0.00 59.36 58.76 3dqz h GLU 182 Cb -0.06 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.85 3dqz h GLU 182 CO -0.03 0.85 0.37 0.22 -1.40 0.00 0.00 179.01 179.02 3dqz h ASP 183 N -0.20 0.95 0.51 1.42 3.58 -1.82 -2.99 116.42 117.87 3dqz h ASP 183 Ca -0.01 -0.12 -0.10 0.00 0.42 0.00 0.00 57.03 57.22 3dqz h ASP 183 Cb 0.88 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 3dqz h ASP 183 CO 0.05 0.80 -0.47 -0.07 -2.88 0.00 0.00 179.24 176.68 3dqz h LEU 184 N 1.02 0.00 -1.27 2.28 3.38 -0.88 -2.69 115.31 117.16 3dqz h LEU 184 Ca 0.25 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 3dqz h LEU 184 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3dqz h LEU 184 CO -0.03 0.47 -0.31 0.77 0.09 0.00 0.00 178.44 179.42 3dqz h SER 185 N 0.00 0.00 -0.49 -0.43 4.64 -1.23 -2.71 113.55 113.33 3dqz h SER 185 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dqz h SER 185 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3dqz h SER 185 CO 0.06 0.31 0.00 0.29 -0.87 0.00 0.00 176.83 176.62 3dqz n LYS 186 N -3.71 2.23 -3.92 4.77 5.02 -1.02 -4.87 118.16 116.66 3dqz n LYS 186 Ca -0.01 -1.90 -0.32 0.00 -2.02 0.00 0.00 58.31 54.06 3dqz n LYS 186 Cb 0.41 -1.43 -0.04 0.00 -0.02 0.00 0.00 35.03 33.95 3dqz n LYS 186 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3dqz s LYS 187 N -1.35 3.42 0.22 1.97 2.20 -1.02 -5.05 119.74 120.12 3dqz s LYS 187 Ca 0.36 -0.40 -0.31 0.00 -0.36 0.00 0.00 55.97 55.26 3dqz s LYS 187 Cb 0.19 -3.05 -0.11 0.00 -1.51 0.00 0.00 37.83 33.35 3dqz s LYS 187 CO 0.26 0.63 1.59 -1.21 -0.36 0.00 0.00 175.35 176.26 3dqz s GLU 188 N -2.28 4.18 0.68 4.03 2.02 -1.26 -4.41 118.70 121.65 3dqz s GLU 188 Ca 0.32 2.47 -0.17 0.00 0.02 0.00 0.00 54.97 57.60 3dqz s GLU 188 Cb -0.13 -3.10 -0.00 0.00 0.10 0.00 0.00 34.13 31.00 3dqz s GLU 188 CO 0.24 -0.62 1.14 0.36 0.02 0.00 0.00 175.26 176.40 3dqz n LYS 189 N 3.32 0.81 -1.83 1.61 2.85 -1.26 -4.76 118.16 118.90 3dqz n LYS 189 Ca 0.12 0.33 -0.41 0.00 -1.05 0.00 0.00 58.31 57.30 3dqz n LYS 189 Cb 0.38 -2.37 -0.01 0.00 -0.65 0.00 0.00 35.03 32.37 3dqz n LYS 189 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 3dqz s PHE 190 N -1.60 2.75 0.48 5.58 0.08 -1.26 -4.97 117.98 119.04 3dqz s PHE 190 Ca 0.78 0.94 -0.13 0.00 0.12 0.00 0.00 56.93 58.64 3dqz s PHE 190 Cb -0.37 -4.01 -0.07 0.00 -0.57 0.00 0.00 43.02 38.00 3dqz s PHE 190 CO 0.45 -3.26 0.90 -1.54 -0.10 0.00 0.00 175.22 171.67 3dqz s SER 191 N 0.27 6.54 0.11 1.36 1.04 -1.26 -4.53 113.70 117.23 3dqz s SER 191 Ca 0.59 1.37 0.06 0.00 0.48 0.00 0.00 55.95 58.45 3dqz s SER 191 Cb -0.46 -2.42 -0.22 0.00 0.10 0.00 0.00 66.02 63.01 3dqz s SER 191 CO 0.52 -0.54 1.25 -0.08 0.98 0.00 0.00 173.24 175.37 3dqz h GLU 192 N 0.92 0.02 -0.36 4.02 4.57 -1.93 -1.60 114.58 120.22 3dqz h GLU 192 Ca -0.47 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 57.59 3dqz h GLU 192 Cb 1.19 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 3dqz h GLU 192 CO 0.62 1.00 -0.13 0.93 -1.18 0.00 0.00 179.01 180.26 3dqz h GLU 193 N 0.01 0.64 0.00 1.92 3.07 -1.93 -1.49 114.58 116.79 3dqz h GLU 193 Ca -0.03 -0.20 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 3dqz h GLU 193 Cb 1.79 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.65 3dqz h GLU 193 CO 0.13 0.75 0.00 0.41 -1.40 0.00 0.00 179.01 178.90 3dqz n GLY 194 N -0.51 0.28 0.26 -3.84 0.00 -1.24 -4.31 105.19 95.83 3dqz n GLY 194 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 3dqz n GLY 194 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3dqz h TYR 195 N 0.00 0.36 -0.19 1.61 3.20 -1.53 -1.87 116.97 118.55 3dqz h TYR 195 Ca 0.00 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 3dqz h TYR 195 Cb 0.00 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3dqz h TYR 195 CO 0.00 -0.01 0.03 0.78 -1.64 0.00 0.00 178.16 177.32 3dqz h GLY 196 N 0.34 0.28 2.00 1.82 0.00 -1.28 -2.83 103.07 103.40 3dqz h GLY 196 Ca 0.39 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.51 3dqz h GLY 196 CO -0.43 0.13 -0.35 1.48 0.00 0.00 0.00 176.54 177.36 3dqz h SER 197 N 0.27 0.00 -3.81 0.19 4.64 -0.40 -3.45 113.55 110.99 3dqz h SER 197 Ca 0.07 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.88 3dqz h SER 197 Cb 0.14 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.25 3dqz h SER 197 CO -0.00 0.35 0.52 -0.69 -0.87 0.00 0.00 176.83 176.14 3dqz s VAL 198 N -3.41 3.30 0.34 0.95 1.01 -1.07 -4.99 120.40 116.53 3dqz s VAL 198 Ca 0.02 1.30 -0.29 0.00 0.00 0.00 0.00 61.98 63.01 3dqz s VAL 198 Cb 0.09 -3.83 -0.11 0.00 0.00 0.00 0.00 36.38 32.54 3dqz s VAL 198 CO 0.69 0.31 1.39 -1.10 0.00 0.00 0.00 175.10 176.38 3dqz s GLN 199 N -1.47 4.25 -0.03 2.72 -0.21 -1.26 -4.87 119.66 118.79 3dqz s GLN 199 Ca 0.46 2.36 -0.02 0.00 0.02 0.00 0.00 55.36 58.18 3dqz s GLN 199 Cb -0.34 -3.04 0.01 0.00 1.00 0.00 0.00 33.01 30.65 3dqz s GLN 199 CO 0.44 -0.34 0.07 -0.98 -2.12 0.00 0.00 175.29 172.36 3dqz s ARG 200 N -1.75 0.07 0.33 2.91 1.70 -1.26 0.71 118.95 121.66 3dqz s ARG 200 Ca 0.51 0.14 0.06 0.00 -0.47 0.00 0.00 55.73 55.97 3dqz s ARG 200 Cb -0.43 -0.02 -0.07 0.00 -0.57 0.00 0.00 34.95 33.86 3dqz s ARG 200 CO 0.56 -0.05 0.00 0.14 -1.08 0.00 0.00 175.30 174.87 3dqz s VAL 201 N 0.31 1.56 0.01 4.99 -7.23 -0.35 -0.90 120.40 118.79 3dqz s VAL 201 Ca -0.02 -2.05 0.08 0.00 -1.81 0.00 0.00 61.98 58.18 3dqz s VAL 201 Cb -0.03 -2.73 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 3dqz s VAL 201 CO -0.01 -0.10 -0.25 -0.47 -0.31 0.00 0.00 175.10 173.96 3dqz s TYR 202 N -3.04 2.18 -0.13 2.82 6.14 -0.32 -1.68 117.35 123.31 3dqz s TYR 202 Ca 0.34 -0.41 -0.00 0.00 0.64 0.00 0.00 57.07 57.64 3dqz s TYR 202 Cb 0.07 -1.36 0.03 0.00 0.42 0.00 0.00 41.96 41.12 3dqz s TYR 202 CO 0.15 0.03 -0.10 0.08 0.64 0.00 0.00 175.55 176.35 3dqz s VAL 203 N -0.67 1.24 -0.01 3.14 1.01 0.13 0.24 120.40 125.48 3dqz s VAL 203 Ca 0.10 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.66 3dqz s VAL 203 Cb -0.09 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 3dqz s VAL 203 CO 0.00 0.37 -0.17 0.00 0.00 0.00 0.00 175.10 175.30 3dqz s MET 204 N 1.61 1.40 0.37 2.72 0.23 0.20 -0.71 119.30 125.12 3dqz s MET 204 Ca 0.04 -0.62 -0.26 0.00 -1.03 0.00 0.00 55.69 53.82 3dqz s MET 204 Cb -0.13 -1.35 -0.09 0.00 -1.53 0.00 0.00 34.83 31.73 3dqz s MET 204 CO -0.09 0.37 1.10 -1.12 -2.03 0.00 0.00 175.02 173.25 3dqz s SER 205 N -0.42 6.83 0.39 -1.18 0.01 -1.26 -0.26 113.70 117.81 3dqz s SER 205 Ca 0.07 2.19 0.21 0.00 1.31 0.00 0.00 55.95 59.72 3dqz s SER 205 Cb -0.07 -2.60 0.64 0.00 0.21 0.00 0.00 66.02 64.20 3dqz s SER 205 CO -0.01 -0.45 1.71 0.77 0.41 0.00 0.00 173.24 175.67 3dqz h SER 206 N 2.89 0.00 -1.39 2.44 4.64 -1.26 -3.31 113.55 117.56 3dqz h SER 206 Ca -0.48 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.24 3dqz h SER 206 Cb 1.22 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.90 3dqz h SER 206 CO 0.64 0.30 -0.59 -0.62 -0.87 0.00 0.00 176.83 175.69 3dqz n GLU 207 N -3.35 3.41 -2.66 4.77 1.02 -0.33 -4.93 120.64 118.56 3dqz n GLU 207 Ca 0.01 -4.35 -0.43 0.00 -0.02 0.00 0.00 57.16 52.37 3dqz n GLU 207 Cb 0.52 -2.26 -0.03 0.00 -0.02 0.00 0.00 31.44 29.66 3dqz n GLU 207 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3dqz s ASP 208 N -3.35 6.66 0.00 1.62 -1.08 -1.24 -4.18 116.67 115.11 3dqz s ASP 208 Ca 0.49 0.52 0.25 0.00 -0.52 0.00 0.00 52.55 53.29 3dqz s ASP 208 Cb 0.41 -2.52 0.39 0.00 -1.46 0.00 0.00 42.92 39.74 3dqz s ASP 208 CO -0.16 -1.12 1.38 0.29 0.52 0.00 0.00 175.17 176.08 3dqz n LYS 209 N 7.47 2.18 -0.10 4.34 5.02 -1.25 -4.22 118.16 131.59 3dqz n LYS 209 Ca 0.11 -1.71 -0.23 0.00 -2.02 0.00 0.00 58.31 54.46 3dqz n LYS 209 Cb 0.48 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 33.91 3dqz n LYS 209 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dqz n ALA 210 N 1.07 0.84 -3.92 7.82 0.00 -0.93 -4.77 120.51 120.63 3dqz n ALA 210 Ca 0.15 -0.57 -0.33 0.00 0.00 0.00 0.00 53.44 52.70 3dqz n ALA 210 Cb 0.54 -0.49 -0.14 0.00 0.00 0.00 0.00 19.45 19.36 3dqz n ALA 210 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3dqz s ILE 211 N -2.39 2.56 0.30 0.00 1.01 -1.26 -5.09 121.20 116.33 3dqz s ILE 211 Ca -0.30 -1.92 -0.29 0.00 0.00 0.00 0.00 60.65 58.15 3dqz s ILE 211 Cb 0.07 -2.68 -0.13 0.00 0.01 0.00 0.00 42.46 39.73 3dqz s ILE 211 CO 0.59 -0.36 1.28 -2.65 0.00 0.00 0.00 174.94 173.79 3dqz n PRO 212 N 4.43 1.97 -0.37 2.79 -0.02 -1.26 -4.75 135.00 137.79 3dqz n PRO 212 Ca -0.05 0.69 0.28 0.00 -2.02 0.00 0.00 63.50 62.40 3dqz n PRO 212 Cb 0.42 -2.26 0.55 0.00 -0.02 0.00 0.00 33.50 32.19 3dqz n PRO 212 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dqz h ASP 214 N 0.27 0.13 -0.35 0.00 5.19 -1.98 -1.28 116.42 118.40 3dqz h ASP 214 Ca 0.71 -0.13 -0.11 0.00 -0.62 0.00 0.00 57.03 56.88 3dqz h ASP 214 Cb 1.93 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 41.39 3dqz h ASP 214 CO -0.41 1.04 -0.20 0.15 -3.12 0.00 0.00 179.24 176.70 3dqz h PHE 215 N 0.03 0.87 -1.01 4.55 3.57 -1.42 -0.80 116.94 122.74 3dqz h PHE 215 Ca -0.04 -0.23 0.06 0.00 3.53 0.00 0.00 57.97 61.29 3dqz h PHE 215 Cb 1.71 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 40.18 3dqz h PHE 215 CO 0.02 0.97 0.65 0.82 -2.23 0.00 0.00 178.31 178.54 3dqz h ILE 216 N 0.53 1.11 -0.10 1.41 2.04 -1.01 -0.78 117.51 120.72 3dqz h ILE 216 Ca 0.07 -0.41 -0.18 0.00 1.00 0.00 0.00 64.86 65.34 3dqz h ILE 216 Cb 0.76 -0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3dqz h ILE 216 CO 0.06 0.22 -0.70 0.03 0.00 0.00 0.00 178.15 177.76 3dqz h ARG 217 N 1.21 0.45 -0.73 2.37 2.47 -1.07 -1.82 114.38 117.26 3dqz h ARG 217 Ca 0.43 -0.35 -0.05 0.00 -1.26 0.00 0.00 59.98 58.75 3dqz h ARG 217 Cb 0.12 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.48 3dqz h ARG 217 CO -0.16 0.98 0.27 2.35 0.56 0.00 0.00 179.97 183.97 3dqz h TRP 218 N 0.31 1.12 0.00 3.04 7.01 -0.57 0.17 115.95 127.04 3dqz h TRP 218 Ca -0.03 -0.09 -0.00 0.00 2.11 0.00 0.00 58.89 60.89 3dqz h TRP 218 Cb 1.27 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 28.00 3dqz h TRP 218 CO 0.05 0.86 -0.00 0.52 -2.79 0.00 0.00 178.44 177.08 3dqz h MET 219 N 1.07 -0.00 -0.59 2.65 2.86 -0.98 0.27 114.93 120.21 3dqz h MET 219 Ca 0.24 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.80 3dqz h MET 219 Cb 0.23 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3dqz h MET 219 CO -0.02 0.15 0.04 0.82 1.06 0.00 0.00 176.91 178.97 3dqz h ILE 220 N -0.16 1.26 -0.21 -1.22 2.04 -1.22 -0.97 117.51 117.02 3dqz h ILE 220 Ca -0.00 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.80 3dqz h ILE 220 Cb 0.16 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3dqz h ILE 220 CO 0.00 0.39 0.14 -0.78 0.00 0.00 0.00 178.15 177.89 3dqz h ASP 221 N 0.92 0.23 0.14 1.72 3.58 -0.59 -2.23 116.42 120.19 3dqz h ASP 221 Ca 0.18 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 3dqz h ASP 221 Cb 0.48 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.47 3dqz h ASP 221 CO 0.02 0.17 0.00 -1.13 -2.88 0.00 0.00 179.24 175.42 3dqz h ASN 222 N 0.28 0.00 -0.75 2.28 -1.24 0.10 -3.39 115.58 112.86 3dqz h ASN 222 Ca 0.08 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.14 3dqz h ASN 222 Cb -0.02 0.00 -0.19 0.00 0.73 0.00 0.00 38.32 38.83 3dqz h ASN 222 CO -0.02 0.00 -0.30 0.12 -1.29 0.00 0.00 177.43 175.94 3dqz s PHE 223 N -4.07 -1.35 0.78 0.67 5.36 -0.42 -4.95 117.98 114.00 3dqz s PHE 223 Ca -0.04 0.51 -0.14 0.00 -0.96 0.00 0.00 56.93 56.30 3dqz s PHE 223 Cb 0.12 0.24 0.07 0.00 -0.34 0.00 0.00 43.02 43.11 3dqz s PHE 223 CO 0.43 -0.85 1.19 -0.80 -1.46 0.00 0.00 175.22 173.73 3dqz s ASN 224 N 2.39 3.83 0.25 6.13 0.01 -1.02 -4.46 114.94 122.06 3dqz s ASN 224 Ca 0.16 2.32 0.08 0.00 -0.71 0.00 0.00 52.86 54.70 3dqz s ASN 224 Cb -0.05 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 38.98 3dqz s ASN 224 CO -0.17 -2.51 -0.11 0.68 -1.51 0.00 0.00 177.10 173.48 3dqz s VAL 225 N -2.17 1.81 0.06 1.60 -7.23 -1.26 -4.99 120.40 108.22 3dqz s VAL 225 Ca 0.72 -2.20 -0.20 0.00 -1.81 0.00 0.00 61.98 58.49 3dqz s VAL 225 Cb -0.28 -2.29 -0.12 0.00 0.56 0.00 0.00 36.38 34.25 3dqz s VAL 225 CO 0.49 -0.42 1.45 0.28 -0.31 0.00 0.00 175.10 176.59 3dqz h SER 226 N 2.37 0.33 -4.90 4.85 0.02 -1.40 -3.46 113.55 111.36 3dqz h SER 226 Ca -0.39 -0.36 -0.18 0.00 -0.84 0.00 0.00 61.79 60.01 3dqz h SER 226 Cb 1.23 -0.09 -0.15 0.00 0.14 0.00 0.00 62.40 63.53 3dqz h SER 226 CO 0.65 0.62 -0.69 -0.54 -1.14 0.00 0.00 176.83 175.72 3dqz s LYS 227 N -4.77 0.71 -0.21 3.45 1.02 -1.26 -5.07 119.74 113.61 3dqz s LYS 227 Ca -0.14 -1.24 -0.00 0.00 0.02 0.00 0.00 55.97 54.61 3dqz s LYS 227 Cb 0.06 -0.02 0.06 0.00 -0.52 0.00 0.00 37.83 37.41 3dqz s LYS 227 CO 0.73 -0.06 -0.04 0.08 -0.92 0.00 0.00 175.35 175.15 3dqz s VAL 228 N -3.59 1.25 0.05 3.17 1.01 -1.26 -1.18 120.40 119.86 3dqz s VAL 228 Ca 0.08 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 3dqz s VAL 228 Cb 0.05 -1.55 -0.06 0.00 0.00 0.00 0.00 36.38 34.83 3dqz s VAL 228 CO -0.07 -0.08 0.41 -0.31 0.00 0.00 0.00 175.10 175.05 3dqz s TYR 229 N 1.53 3.64 -0.05 5.22 1.51 0.14 -4.98 117.35 124.36 3dqz s TYR 229 Ca -0.04 0.88 0.06 0.00 -1.01 0.00 0.00 57.07 56.96 3dqz s TYR 229 Cb -0.18 -2.22 -0.01 0.00 -0.11 0.00 0.00 41.96 39.44 3dqz s TYR 229 CO -0.07 0.56 -0.24 -2.00 -1.11 0.00 0.00 175.55 172.69 3dqz s GLU 230 N -1.59 2.45 -0.32 -0.62 2.12 -1.26 -0.63 118.70 118.85 3dqz s GLU 230 Ca 0.30 -0.89 -0.08 0.00 0.36 0.00 0.00 54.97 54.65 3dqz s GLU 230 Cb -0.15 -2.15 0.02 0.00 0.26 0.00 0.00 34.13 32.10 3dqz s GLU 230 CO 0.16 0.44 0.13 0.42 -0.54 0.00 0.00 175.26 175.87 3dqz s ILE 231 N -0.31 4.18 -0.13 -3.70 1.01 0.64 -4.93 121.20 117.96 3dqz s ILE 231 Ca 0.01 -0.77 -0.29 0.00 0.00 0.00 0.00 60.65 59.59 3dqz s ILE 231 Cb -0.13 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 3dqz s ILE 231 CO 0.02 -0.05 1.50 -0.62 0.00 0.00 0.00 174.94 175.79 3dqz s ASP 232 N 1.51 6.71 0.00 3.58 2.15 -1.26 -1.24 116.67 128.13 3dqz s ASP 232 Ca 0.02 1.89 0.00 0.00 0.43 0.00 0.00 52.55 54.89 3dqz s ASP 232 Cb -0.18 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 3dqz s ASP 232 CO 0.04 -0.93 0.00 0.61 -0.17 0.00 0.00 175.17 174.72 3dqz n GLY 233 N 4.05 0.73 3.78 2.66 0.00 -1.26 -4.92 105.19 110.23 3dqz n GLY 233 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3dqz n GLY 233 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dqz s GLY 234 N -1.56 2.82 0.00 -0.02 0.00 -1.16 -4.78 107.32 102.62 3dqz s GLY 234 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 44.72 45.43 3dqz s GLY 234 CO 0.00 1.18 0.00 2.09 0.00 0.00 0.00 173.10 176.37 3dqz n ASP 235 N 0.31 0.00 -0.29 1.64 5.68 -1.26 -1.19 116.55 121.44 3dqz n ASP 235 Ca 0.03 -0.70 -0.04 0.00 -0.50 0.00 0.00 54.79 53.58 3dqz n ASP 235 Cb 0.49 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.54 3dqz n ASP 235 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 3dqz h HIS 236 N -0.20 0.98 -0.82 2.11 -0.00 -1.75 -3.08 115.15 112.38 3dqz h HIS 236 Ca 0.00 0.02 -0.73 0.00 -0.00 0.00 0.00 60.37 59.67 3dqz h HIS 236 Cb 0.00 -0.33 -0.09 0.00 -0.00 0.00 0.00 27.41 26.99 3dqz h HIS 236 CO 0.00 0.60 2.74 -1.33 -0.00 0.00 0.00 177.93 179.95 3dqz n MET 237 N -4.55 4.01 0.26 5.26 2.81 -1.12 -4.74 117.12 119.05 3dqz n MET 237 Ca 0.08 -3.10 0.17 0.00 -1.81 0.00 0.00 57.70 53.04 3dqz n MET 237 Cb 0.03 -2.80 0.74 0.00 -0.71 0.00 0.00 33.22 30.48 3dqz n MET 237 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 3dqz h VAL 238 N 3.07 0.00 0.00 2.03 3.04 -1.88 -0.82 116.25 121.70 3dqz h VAL 238 Ca 0.66 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 66.00 3dqz h VAL 238 Cb 0.40 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 3dqz h VAL 238 CO 1.62 0.00 0.00 1.15 -1.01 0.00 0.00 177.57 179.33 3dqz n MET 239 N -2.90 0.07 -0.06 4.17 0.00 -1.26 -1.15 117.12 116.00 3dqz n MET 239 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 57.70 57.64 3dqz n MET 239 Cb 0.24 -1.50 -0.06 0.00 0.00 0.00 0.00 33.22 31.90 3dqz n MET 239 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3dqz n LEU 240 N -1.46 2.12 -0.05 3.17 4.77 -0.42 -4.25 117.00 120.88 3dqz n LEU 240 Ca 0.08 -0.05 -0.15 0.00 -0.03 0.00 0.00 56.01 55.86 3dqz n LEU 240 Cb 0.32 -0.24 -0.13 0.00 -2.33 0.00 0.00 43.42 41.03 3dqz n LEU 240 CO 0.26 0.57 0.28 0.77 -1.33 0.00 0.00 177.39 177.95 3dqz h SER 241 N 0.00 0.08 -2.20 -1.43 4.64 -1.35 -3.42 113.55 109.87 3dqz h SER 241 Ca -0.27 -0.97 -0.58 0.00 -0.47 0.00 0.00 61.79 59.50 3dqz h SER 241 Cb 1.48 -0.03 -0.42 0.00 -0.31 0.00 0.00 62.40 63.13 3dqz h SER 241 CO -0.03 1.09 -0.72 0.29 -0.87 0.00 0.00 176.83 176.59 3dqz n LYS 242 N -4.52 2.53 -0.25 4.77 4.76 -0.30 -4.93 118.16 120.22 3dqz n LYS 242 Ca -0.12 -4.50 -0.05 0.00 -2.87 0.00 0.00 58.31 50.77 3dqz n LYS 242 Cb 0.55 -2.10 0.09 0.00 -1.84 0.00 0.00 35.03 31.72 3dqz n LYS 242 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 3dqz h PRO 243 N 3.50 1.11 -0.35 1.97 0.11 -1.72 -0.23 132.00 136.39 3dqz h PRO 243 Ca 0.15 -0.22 -0.16 0.00 0.11 0.00 0.00 66.00 65.87 3dqz h PRO 243 Cb 0.64 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.58 3dqz h PRO 243 CO 0.76 0.93 -0.42 0.37 -0.21 0.00 0.00 178.00 179.44 3dqz h GLN 244 N 1.08 0.90 -0.32 1.05 5.75 -1.91 -0.88 115.11 120.78 3dqz h GLN 244 Ca 0.24 -0.50 -0.13 0.00 -0.15 0.00 0.00 58.65 58.11 3dqz h GLN 244 Cb 0.27 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 3dqz h GLN 244 CO -0.01 1.15 -0.34 0.87 -2.65 0.00 0.00 178.83 177.85 3dqz h LYS 245 N 0.71 0.70 -0.89 1.69 6.56 -1.88 -0.58 116.57 122.87 3dqz h LYS 245 Ca 0.05 -0.33 0.03 0.00 -1.06 0.00 0.00 60.65 59.34 3dqz h LYS 245 Cb 1.02 -0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 32.62 3dqz h LYS 245 CO 0.10 0.94 0.58 1.25 -2.06 0.00 0.00 179.45 180.25 3dqz h LEU 246 N 0.59 0.97 -0.69 2.94 5.85 -0.92 -0.50 115.31 123.55 3dqz h LEU 246 Ca 0.06 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 3dqz h LEU 246 Cb 0.86 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3dqz h LEU 246 CO 0.07 0.67 0.19 0.15 -0.34 0.00 0.00 178.44 179.19 3dqz h PHE 247 N 1.13 1.14 -0.47 1.25 3.57 -0.69 -1.84 116.94 121.03 3dqz h PHE 247 Ca 0.35 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3dqz h PHE 247 Cb -0.01 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.38 3dqz h PHE 247 CO -0.02 0.92 0.30 -0.44 -2.23 0.00 0.00 178.31 176.84 3dqz h ASP 248 N 1.03 0.56 0.11 0.41 3.32 -0.50 0.28 116.42 121.63 3dqz h ASP 248 Ca 0.22 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3dqz h ASP 248 Cb 0.34 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3dqz h ASP 248 CO -0.00 0.43 -0.09 0.28 -1.72 0.00 0.00 179.24 178.14 3dqz h SER 249 N 0.63 -0.24 0.14 6.45 0.02 -0.83 -0.20 113.55 119.51 3dqz h SER 249 Ca 0.17 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 3dqz h SER 249 Cb -0.03 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3dqz h SER 249 CO -0.03 -0.15 -0.20 -0.07 -1.14 0.00 0.00 176.83 175.24 3dqz h LEU 250 N -0.22 0.11 -0.53 5.07 3.38 -1.26 0.12 115.31 121.99 3dqz h LEU 250 Ca -0.00 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 3dqz h LEU 250 Cb 0.20 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3dqz h LEU 250 CO -0.01 0.33 -0.43 -1.28 0.09 0.00 0.00 178.44 177.13 3dqz h SER 251 N 0.11 0.77 -0.50 -0.43 0.87 -0.63 -0.36 113.55 113.38 3dqz h SER 251 Ca 0.02 -0.36 -0.09 0.00 -1.23 0.00 0.00 61.79 60.13 3dqz h SER 251 Cb 0.42 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 3dqz h SER 251 CO 0.03 1.09 -0.05 0.00 -0.53 0.00 0.00 176.83 177.37 3dqz h ALA 252 N 0.94 0.68 -0.42 6.23 0.00 -0.42 -2.50 119.26 123.76 3dqz h ALA 252 Ca 0.04 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3dqz h ALA 252 Cb 0.98 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3dqz h ALA 252 CO 0.09 0.53 0.25 0.82 0.00 0.00 0.00 179.25 180.95 3dqz h ILE 253 N 0.77 1.14 -0.96 0.00 2.04 -0.83 -0.94 117.51 118.74 3dqz h ILE 253 Ca 0.13 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.70 3dqz h ILE 253 Cb 0.59 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 3dqz h ILE 253 CO 0.04 0.14 0.63 0.00 0.00 0.00 0.00 178.15 178.95 3dqz h ALA 254 N 1.11 1.26 0.05 1.87 0.00 -1.02 -1.22 119.26 121.31 3dqz h ALA 254 Ca 0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3dqz h ALA 254 Cb 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.45 3dqz h ALA 254 CO -0.03 0.52 -0.02 1.15 0.00 0.00 0.00 179.25 180.87 3dqz h THR 255 N 1.22 1.14 0.00 0.00 2.02 -1.14 -3.08 112.91 113.08 3dqz h THR 255 Ca 0.38 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 3dqz h THR 255 Cb -0.02 1.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3dqz h THR 255 CO -0.12 0.16 -0.02 0.44 0.37 0.00 0.00 175.52 176.35 3dqz h ASP 256 N -0.34 0.00 0.00 4.18 3.32 -0.89 -3.52 116.42 119.17 3dqz h ASP 256 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3dqz h ASP 256 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3dqz h ASP 256 CO 0.01 0.02 0.00 -1.22 -1.72 0.00 0.00 179.24 176.33