#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q3k n LYS 3 N 0.00 1.54 -2.95 -1.46 4.76 -1.26 -4.94 118.16 113.85 1q3k n LYS 3 Ca 0.00 -2.26 -0.33 0.00 -2.87 0.00 0.00 58.31 52.85 1q3k n LYS 3 Cb 0.00 -3.48 -0.07 0.00 -1.84 0.00 0.00 35.03 29.65 1q3k n LYS 3 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1q3k s SER 4 N 6.07 6.92 0.00 4.39 0.15 -1.26 -4.97 113.70 124.99 1q3k s SER 4 Ca 0.65 1.54 0.25 0.00 0.70 0.00 0.00 55.95 59.09 1q3k s SER 4 Cb 0.04 -2.48 0.55 0.00 -1.71 0.00 0.00 66.02 62.43 1q3k s SER 4 CO 0.14 -0.26 1.44 1.33 1.20 0.00 0.00 173.24 177.08 1q3k n VAL 5 N -0.38 0.00 -3.14 4.45 0.24 -1.26 -4.85 118.33 113.40 1q3k n VAL 5 Ca 0.05 -0.10 -0.41 0.00 -2.04 0.00 0.00 64.34 61.84 1q3k n VAL 5 Cb 0.53 0.47 -0.07 0.00 -1.47 0.00 0.00 33.84 33.31 1q3k n VAL 5 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1q3k s PHE 6 N -2.67 3.23 0.32 6.34 0.40 -1.26 0.42 117.98 124.75 1q3k s PHE 6 Ca 0.19 0.61 0.08 0.00 -0.60 0.00 0.00 56.93 57.20 1q3k s PHE 6 Cb 0.18 -2.93 0.81 0.00 0.51 0.00 0.00 43.02 41.59 1q3k s PHE 6 CO 0.60 -0.43 1.77 0.28 0.70 0.00 0.00 175.22 178.14 1q3k h VAL 7 N 5.51 0.66 0.00 -0.44 2.07 -1.47 0.10 116.25 122.68 1q3k h VAL 7 Ca -0.27 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1q3k h VAL 7 Cb 1.12 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1q3k h VAL 7 CO 0.78 0.13 0.00 0.61 0.02 0.00 0.00 177.57 179.11 1q3k n GLY 8 N -1.34 -0.87 0.79 2.17 0.00 -1.26 -1.28 105.19 103.40 1q3k n GLY 8 Ca 0.24 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.40 1q3k n GLY 8 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q3k n GLU 9 N -1.84 1.86 -3.58 1.61 1.02 0.02 -4.96 120.64 114.77 1q3k n GLU 9 Ca 0.01 -1.80 -0.20 0.00 -0.02 0.00 0.00 57.16 55.15 1q3k n GLU 9 Cb 0.09 -1.36 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 1q3k n GLU 9 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1q3k s LEU 10 N -1.30 3.78 0.67 -4.62 1.43 -0.40 -4.94 118.68 113.30 1q3k s LEU 10 Ca 0.25 -0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 52.95 1q3k s LEU 10 Cb 0.16 -2.50 0.05 0.00 0.03 0.00 0.00 46.19 43.92 1q3k s LEU 10 CO 0.23 -0.43 0.98 0.42 0.23 0.00 0.00 176.35 177.77 1q3k s THR 11 N -2.25 2.61 0.32 5.49 -4.23 -1.26 -4.94 115.64 111.37 1q3k s THR 11 Ca 0.44 -0.22 0.03 0.00 -1.18 0.00 0.00 61.69 60.75 1q3k s THR 11 Cb -0.08 -3.10 0.15 0.00 1.34 0.00 0.00 72.50 70.81 1q3k s THR 11 CO 0.29 -0.11 1.85 4.11 -0.54 0.00 0.00 174.62 180.23 1q3k h TRP 12 N -0.47 0.63 -0.66 3.99 5.08 -1.99 -2.38 115.95 120.15 1q3k h TRP 12 Ca -0.44 -0.06 -0.07 0.00 1.08 0.00 0.00 58.89 59.39 1q3k h TRP 12 Cb 1.30 -0.18 -0.03 0.00 -3.00 0.00 0.00 29.16 27.25 1q3k h TRP 12 CO 0.37 0.59 0.12 0.87 -1.28 0.00 0.00 178.44 179.11 1q3k h LYS 13 N 0.58 1.06 -0.25 0.12 1.79 -1.99 0.43 116.57 118.31 1q3k h LYS 13 Ca 0.12 -0.27 -0.04 0.00 -2.18 0.00 0.00 60.65 58.29 1q3k h LYS 13 Cb 0.34 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 1q3k h LYS 13 CO 0.01 0.96 0.01 0.93 -1.08 0.00 0.00 179.45 180.28 1q3k h GLU 14 N 1.00 0.44 -0.02 3.15 5.08 -1.88 -1.84 114.58 120.52 1q3k h GLU 14 Ca 0.20 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1q3k h GLU 14 Cb 0.40 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1q3k h GLU 14 CO 0.01 0.61 0.02 -0.92 -1.00 0.00 0.00 179.01 177.72 1q3k h TYR 15 N 0.22 0.03 -0.61 4.33 3.20 -1.20 -1.08 116.97 121.86 1q3k h TYR 15 Ca 0.07 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.06 1q3k h TYR 15 Cb 0.40 -0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.58 1q3k h TYR 15 CO 0.03 0.03 0.14 1.49 -1.64 0.00 0.00 178.16 178.21 1q3k h GLU 16 N 0.02 0.27 -0.30 1.82 4.81 -0.85 -0.53 114.58 119.83 1q3k h GLU 16 Ca 0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1q3k h GLU 16 Cb 0.00 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1q3k h GLU 16 CO -0.00 0.18 0.19 0.00 -0.73 0.00 0.00 179.01 178.64 1q3k h ALA 17 N 1.48 0.38 -0.57 2.92 0.00 -1.06 0.45 119.26 122.86 1q3k h ALA 17 Ca 0.32 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1q3k h ALA 17 Cb 0.47 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1q3k h ALA 17 CO -0.40 -0.14 0.35 0.00 0.00 0.00 0.00 179.25 179.07 1q3k h ARG 18 N 0.39 0.76 -0.02 0.00 2.47 -0.07 -0.96 114.38 116.95 1q3k h ARG 18 Ca 0.11 -0.06 -0.20 0.00 -1.26 0.00 0.00 59.98 58.57 1q3k h ARG 18 Cb -0.02 -0.17 0.02 0.00 -1.65 0.00 0.00 29.97 28.15 1q3k h ARG 18 CO -0.02 0.53 -0.78 0.28 0.56 0.00 0.00 179.97 180.54 1q3k h VAL 19 N 0.78 1.35 0.00 2.04 2.07 -0.65 -3.16 116.25 118.68 1q3k h VAL 19 Ca 0.21 -2.11 -0.03 0.00 0.82 0.00 0.00 66.70 65.59 1q3k h VAL 19 Cb -0.05 2.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1q3k h VAL 19 CO -0.04 0.64 -0.12 0.00 0.02 0.00 0.00 177.57 178.06 1q3k h ALA 20 N 0.38 1.19 0.00 1.67 0.00 -0.63 -2.60 119.26 119.28 1q3k h ALA 20 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1q3k h ALA 20 Cb 1.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1q3k h ALA 20 CO 0.15 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.55 1q3k n ALA 21 N -2.24 1.55 0.00 0.00 0.00 -0.39 -4.96 120.51 114.47 1q3k n ALA 21 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1q3k n ALA 21 Cb 0.27 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1q3k n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q3k n GLY 22 N -0.47 -1.12 3.95 0.00 0.00 -0.98 -4.93 105.19 101.65 1q3k n GLY 22 Ca 0.04 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 1q3k n GLY 22 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1q3k n ASP 23 N -0.95 -2.83 -4.71 1.61 5.68 -1.26 -4.93 116.55 109.17 1q3k n ASP 23 Ca 0.00 -0.79 -0.42 0.00 -0.50 0.00 0.00 54.79 53.08 1q3k n ASP 23 Cb 0.00 -2.37 -0.03 0.00 -1.14 0.00 0.00 41.12 37.59 1q3k n ASP 23 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1q3k s VAL 25 N 1.33 5.33 -0.00 0.00 1.01 -1.26 -4.24 120.40 122.56 1q3k s VAL 25 Ca 0.58 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.92 1q3k s VAL 25 Cb -0.28 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1q3k s VAL 25 CO 0.27 0.36 0.05 -0.76 0.00 0.00 0.00 175.10 175.02 1q3k s LEU 26 N 0.84 3.75 -0.07 3.92 2.01 -0.69 -1.43 118.68 127.01 1q3k s LEU 26 Ca 0.12 0.09 0.02 0.00 0.01 0.00 0.00 54.13 54.37 1q3k s LEU 26 Cb -0.13 -2.17 0.01 0.00 0.01 0.00 0.00 46.19 43.92 1q3k s LEU 26 CO 0.04 0.28 -0.13 -0.04 1.01 0.00 0.00 176.35 177.50 1q3k s MET 27 N -1.66 1.80 -0.29 1.70 -1.94 0.41 -0.43 119.30 118.90 1q3k s MET 27 Ca 0.21 -0.44 0.03 0.00 -1.71 0.00 0.00 55.69 53.77 1q3k s MET 27 Cb -0.12 -1.49 0.07 0.00 2.01 0.00 0.00 34.83 35.31 1q3k s MET 27 CO 0.12 0.03 -0.05 -1.17 -0.01 0.00 0.00 175.02 173.94 1q3k s LEU 28 N 0.68 3.85 0.20 -0.03 2.96 -0.18 0.04 118.68 126.20 1q3k s LEU 28 Ca -0.14 -1.58 -0.30 0.00 -0.22 0.00 0.00 54.13 51.89 1q3k s LEU 28 Cb -0.16 -1.59 -0.09 0.00 0.50 0.00 0.00 46.19 44.85 1q3k s LEU 28 CO 0.04 -0.25 1.32 -2.84 -1.32 0.00 0.00 176.35 173.29 1q3k s PRO 29 N 1.07 4.38 -0.25 0.98 0.02 -1.26 -1.28 135.00 138.66 1q3k s PRO 29 Ca -0.03 2.07 0.01 0.00 0.02 0.00 0.00 61.00 63.06 1q3k s PRO 29 Cb -0.20 -3.19 0.07 0.00 0.02 0.00 0.00 34.50 31.20 1q3k s PRO 29 CO -0.05 -0.26 -0.02 0.08 -0.33 0.00 0.00 177.00 176.41 1q3k s VAL 30 N 0.12 1.49 0.00 3.83 1.01 -0.33 -0.27 120.40 126.25 1q3k s VAL 30 Ca 0.57 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1q3k s VAL 30 Cb -0.37 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1q3k s VAL 30 CO 0.38 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1q3k n GLY 31 N 4.66 5.05 3.55 4.51 0.00 -0.31 -0.64 105.19 122.02 1q3k n GLY 31 Ca -0.09 -1.29 -0.07 0.00 0.00 0.00 0.00 46.02 44.57 1q3k n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3k s ALA 32 N -2.00 -1.89 -0.43 4.61 0.00 -1.18 -2.81 121.76 118.06 1q3k s ALA 32 Ca 0.00 1.09 -0.05 0.00 0.00 0.00 0.00 51.96 53.00 1q3k s ALA 32 Cb 0.00 0.29 0.11 0.00 0.00 0.00 0.00 23.12 23.52 1q3k s ALA 32 CO 0.00 -0.71 0.25 -1.17 0.00 0.00 0.00 175.76 174.13 1q3k s LEU 33 N -2.46 5.36 -0.03 0.00 2.96 -0.92 -4.01 118.68 119.59 1q3k s LEU 33 Ca 0.07 -1.96 -0.06 0.00 -0.22 0.00 0.00 54.13 51.97 1q3k s LEU 33 Cb -0.01 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.80 1q3k s LEU 33 CO -0.07 -0.59 0.13 -0.70 -1.32 0.00 0.00 176.35 173.81 1q3k s GLU 34 N 1.23 0.31 0.32 1.98 2.12 -0.32 -1.10 118.70 123.23 1q3k s GLU 34 Ca 0.07 -0.10 -0.28 0.00 0.36 0.00 0.00 54.97 55.02 1q3k s GLU 34 Cb -0.24 0.14 -0.13 0.00 0.26 0.00 0.00 34.13 34.16 1q3k s GLU 34 CO -0.03 -0.06 1.27 0.00 -0.54 0.00 0.00 175.26 175.90 1q3k n GLN 35 N 2.26 2.02 -2.70 4.30 -0.00 -1.26 -4.43 117.38 117.57 1q3k n GLN 35 Ca -0.17 0.71 -0.13 0.00 -0.00 0.00 0.00 57.00 57.41 1q3k n GLN 35 Cb 0.57 -2.27 0.02 0.00 -0.00 0.00 0.00 30.24 28.56 1q3k n GLN 35 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1q3k n HIS 36 N 0.54 1.38 -3.24 2.61 8.25 -1.26 -4.97 115.22 118.53 1q3k n HIS 36 Ca 0.06 -2.96 0.02 0.00 -0.26 0.00 0.00 57.72 54.58 1q3k n HIS 36 Cb 0.35 -0.35 -0.00 0.00 1.12 0.00 0.00 29.99 31.11 1q3k n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1q3k n GLY 37 N -0.08 -1.88 0.03 -1.41 0.00 -1.25 -3.53 105.19 97.07 1q3k n GLY 37 Ca 0.15 -1.34 0.13 0.00 0.00 0.00 0.00 46.02 44.96 1q3k n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1q3k n HIS 38 N -0.93 0.00 0.46 1.61 8.25 -1.25 -4.14 115.22 119.22 1q3k n HIS 38 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.54 1q3k n HIS 38 Cb 0.05 -0.34 -0.10 0.00 1.12 0.00 0.00 29.99 30.72 1q3k n HIS 38 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1q3k n HIS 39 N -1.37 0.00 -4.31 4.41 1.44 -1.26 -4.81 115.22 109.32 1q3k n HIS 39 Ca 0.08 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.63 1q3k n HIS 39 Cb 0.32 -0.13 -0.10 0.00 0.12 0.00 0.00 29.99 30.20 1q3k n HIS 39 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 1q3k s MET 40 N -2.70 1.26 1.02 -1.40 1.00 -1.23 -0.45 119.30 116.79 1q3k s MET 40 Ca 0.02 -1.59 -0.15 0.00 0.00 0.00 0.00 55.69 53.96 1q3k s MET 40 Cb 0.11 -0.78 0.20 0.00 0.00 0.00 0.00 34.83 34.36 1q3k s MET 40 CO 0.65 0.04 1.17 0.00 0.00 0.00 0.00 175.02 176.88 1q3k n MET 42 N -4.12 1.10 -0.22 0.00 0.00 -1.26 -4.19 117.12 108.44 1q3k n MET 42 Ca 0.11 -0.81 0.10 0.00 0.00 0.00 0.00 57.70 57.10 1q3k n MET 42 Cb 0.59 -1.48 0.26 0.00 0.00 0.00 0.00 33.22 32.59 1q3k n MET 42 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1q3k n ASN 43 N -0.24 2.84 -0.31 7.83 0.23 -1.26 -1.18 115.26 123.17 1q3k n ASN 43 Ca 0.11 -1.94 0.01 0.00 -0.53 0.00 0.00 54.58 52.23 1q3k n ASN 43 Cb 0.42 -0.28 0.07 0.00 -2.08 0.00 0.00 39.78 37.91 1q3k n ASN 43 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1q3k h VAL 44 N 3.38 0.10 0.00 3.53 2.07 -1.82 0.32 116.25 123.83 1q3k h VAL 44 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1q3k h VAL 44 Cb 0.76 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1q3k h VAL 44 CO 0.00 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.06 1q3k n ASP 45 N -5.51 0.40 -0.10 0.57 9.92 -1.26 -1.41 116.55 119.15 1q3k n ASP 45 Ca 0.11 0.64 -0.23 0.00 -0.53 0.00 0.00 54.79 54.77 1q3k n ASP 45 Cb 0.41 -0.71 -0.12 0.00 -0.64 0.00 0.00 41.12 40.07 1q3k n ASP 45 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1q3k n VAL 46 N -1.98 1.58 0.03 2.53 0.31 0.00 -3.92 118.33 116.88 1q3k n VAL 46 Ca 0.01 -0.41 -0.12 0.00 -0.01 0.00 0.00 64.34 63.81 1q3k n VAL 46 Cb 0.12 -1.77 -0.07 0.00 -0.91 0.00 0.00 33.84 31.21 1q3k n VAL 46 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1q3k h LEU 47 N -0.51 -0.01 0.47 7.52 3.38 -0.64 -2.10 115.31 123.42 1q3k h LEU 47 Ca -0.53 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 1q3k h LEU 47 Cb 1.71 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 1q3k h LEU 47 CO -0.18 -0.00 -0.42 -0.07 0.09 0.00 0.00 178.44 177.86 1q3k h LEU 48 N 0.00 -1.13 -1.86 1.67 3.38 -1.49 0.55 115.31 116.43 1q3k h LEU 48 Ca 0.01 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1q3k h LEU 48 Cb 0.01 0.36 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1q3k h LEU 48 CO -0.02 -0.57 -0.11 1.55 0.09 0.00 0.00 178.44 179.38 1q3k h PRO 49 N -0.88 0.00 -0.52 1.13 0.13 -1.76 0.10 132.00 130.20 1q3k h PRO 49 Ca -0.06 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.99 1q3k h PRO 49 Cb 0.74 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.85 1q3k h PRO 49 CO -0.02 0.11 0.03 1.15 -0.23 0.00 0.00 178.00 179.04 1q3k h THR 50 N 0.00 1.26 -0.37 1.56 2.02 -0.99 0.15 112.91 116.54 1q3k h THR 50 Ca -0.00 -1.05 -0.08 0.00 0.77 0.00 0.00 66.41 66.05 1q3k h THR 50 Cb 0.22 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1q3k h THR 50 CO 0.01 0.37 -0.08 0.00 0.37 0.00 0.00 175.52 176.19 1q3k h ALA 51 N 0.96 0.50 -0.73 6.16 0.00 0.06 -0.96 119.26 125.25 1q3k h ALA 51 Ca 0.15 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1q3k h ALA 51 Cb 0.48 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1q3k h ALA 51 CO 0.02 0.35 0.25 0.28 0.00 0.00 0.00 179.25 180.15 1q3k h VAL 52 N 0.50 1.26 -0.18 0.00 2.07 -0.77 -2.30 116.25 116.83 1q3k h VAL 52 Ca 0.09 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 1q3k h VAL 52 Cb 0.59 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1q3k h VAL 52 CO 0.04 0.34 0.11 0.00 0.02 0.00 0.00 177.57 178.07 1q3k h GLN 54 N 0.21 0.15 -0.39 0.00 4.15 -0.91 0.52 115.11 118.85 1q3k h GLN 54 Ca 0.06 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.37 1q3k h GLN 54 Cb 0.02 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1q3k h GLN 54 CO -0.01 0.10 -0.18 0.00 -1.93 0.00 0.00 178.83 176.81 1q3k h ARG 55 N 0.16 0.81 -0.50 1.69 3.08 -1.28 -0.61 114.38 117.72 1q3k h ARG 55 Ca 0.20 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 1q3k h ARG 55 Cb 0.27 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1q3k h ARG 55 CO -0.30 0.98 0.22 0.28 -1.07 0.00 0.00 179.97 180.07 1q3k h VAL 56 N 0.61 1.20 -0.90 2.04 2.07 -0.89 -1.39 116.25 118.99 1q3k h VAL 56 Ca 0.09 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1q3k h VAL 56 Cb 0.73 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1q3k h VAL 56 CO 0.06 0.23 0.54 0.00 0.02 0.00 0.00 177.57 178.42 1q3k h ALA 57 N 1.06 1.25 -0.55 1.67 0.00 0.14 0.16 119.26 122.99 1q3k h ALA 57 Ca 0.17 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1q3k h ALA 57 Cb 0.16 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1q3k h ALA 57 CO -0.02 0.64 0.06 0.93 0.00 0.00 0.00 179.25 180.86 1q3k h GLU 58 N 1.25 0.89 -0.18 0.00 5.08 -0.74 0.24 114.58 121.13 1q3k h GLU 58 Ca 0.32 -0.23 -0.18 0.00 -1.00 0.00 0.00 59.36 58.28 1q3k h GLU 58 Cb -0.05 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.09 1q3k h GLU 58 CO -0.06 0.85 -0.58 0.00 -1.00 0.00 0.00 179.01 178.22 1q3k h ARG 59 N 0.84 0.71 -0.11 2.33 2.47 -0.36 -3.34 114.38 116.92 1q3k h ARG 59 Ca 0.17 -0.52 0.00 0.00 -1.26 0.00 0.00 59.98 58.37 1q3k h ARG 59 Cb 0.41 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 1q3k h ARG 59 CO 0.01 1.14 0.00 0.44 0.56 0.00 0.00 179.97 182.13 1q3k n ILE 60 N -4.09 0.13 -2.72 2.04 -5.35 -0.04 -4.99 119.36 104.34 1q3k n ILE 60 Ca -0.07 -0.57 -0.07 0.00 -0.27 0.00 0.00 62.75 61.78 1q3k n ILE 60 Cb 0.64 1.30 0.02 0.00 -1.74 0.00 0.00 39.64 39.86 1q3k n ILE 60 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1q3k n GLY 61 N 1.16 0.46 3.97 3.28 0.00 0.75 -5.04 105.19 109.77 1q3k n GLY 61 Ca 0.13 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 1q3k n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3k s ALA 62 N -2.98 4.46 0.03 4.61 0.00 -0.54 -4.78 121.76 122.55 1q3k s ALA 62 Ca 0.15 -1.81 0.08 0.00 0.00 0.00 0.00 51.96 50.37 1q3k s ALA 62 Cb -0.06 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 1q3k s ALA 62 CO 0.18 -0.45 -0.22 -0.51 0.00 0.00 0.00 175.76 174.76 1q3k s LEU 63 N -4.38 2.38 -0.19 0.00 1.43 -0.51 -4.70 118.68 112.70 1q3k s LEU 63 Ca 0.53 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 53.10 1q3k s LEU 63 Cb -0.06 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 1q3k s LEU 63 CO 0.32 0.27 -0.00 -0.69 0.23 0.00 0.00 176.35 176.48 1q3k s VAL 64 N -0.82 3.98 0.61 -1.59 1.01 0.17 -0.44 120.40 123.31 1q3k s VAL 64 Ca 0.13 -0.31 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 1q3k s VAL 64 Cb -0.10 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1q3k s VAL 64 CO 0.03 0.44 1.01 -0.76 0.00 0.00 0.00 175.10 175.82 1q3k s LEU 65 N 0.83 3.25 0.23 3.92 1.43 0.11 -1.18 118.68 127.27 1q3k s LEU 65 Ca 0.00 1.37 -0.32 0.00 -1.03 0.00 0.00 54.13 54.16 1q3k s LEU 65 Cb -0.14 -4.40 -0.12 0.00 0.03 0.00 0.00 46.19 41.55 1q3k s LEU 65 CO 0.02 -0.86 1.67 -2.65 0.23 0.00 0.00 176.35 174.76 1q3k n PRO 66 N -2.72 2.70 -2.26 1.29 -0.02 -1.26 -4.57 135.00 128.16 1q3k n PRO 66 Ca 0.06 0.97 -0.34 0.00 -2.02 0.00 0.00 63.50 62.16 1q3k n PRO 66 Cb 0.54 -2.79 -0.00 0.00 -0.02 0.00 0.00 33.50 31.23 1q3k n PRO 66 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1q3k s GLY 67 N 0.95 2.50 -0.46 -1.23 0.00 -1.26 -4.77 107.32 103.05 1q3k s GLY 67 Ca 0.72 0.70 -0.29 0.00 0.00 0.00 0.00 44.72 45.85 1q3k s GLY 67 CO 0.38 1.04 1.30 1.08 0.00 0.00 0.00 173.10 176.90 1q3k s LEU 68 N -3.90 3.57 0.34 0.66 1.43 0.62 -4.88 118.68 116.53 1q3k s LEU 68 Ca 0.70 0.59 0.16 0.00 -1.03 0.00 0.00 54.13 54.55 1q3k s LEU 68 Cb -0.21 -3.47 0.57 0.00 0.03 0.00 0.00 46.19 43.10 1q3k s LEU 68 CO 0.28 -1.40 1.69 1.56 0.23 0.00 0.00 176.35 178.70 1q3k h GLN 69 N 10.15 0.00 -5.40 1.70 1.08 -1.88 -0.80 115.11 119.97 1q3k h GLN 69 Ca -0.26 0.00 -0.67 0.00 -1.45 0.00 0.00 58.65 56.27 1q3k h GLN 69 Cb 1.08 0.00 -0.31 0.00 -0.05 0.00 0.00 27.48 28.20 1q3k h GLN 69 CO 1.12 0.45 -0.85 0.71 -0.95 0.00 0.00 178.83 179.31 1q3k s TYR 70 N -3.60 2.62 0.02 2.96 1.51 -1.26 -2.16 117.35 117.44 1q3k s TYR 70 Ca -0.00 -0.91 0.00 0.00 -1.01 0.00 0.00 57.07 55.15 1q3k s TYR 70 Cb 0.11 -1.74 0.00 0.00 -0.11 0.00 0.00 41.96 40.23 1q3k s TYR 70 CO 0.71 -0.34 0.00 0.41 -1.11 0.00 0.00 175.55 175.22 1q3k n GLY 71 N 3.46 4.01 3.74 0.71 0.00 -1.12 -4.79 105.19 111.20 1q3k n GLY 71 Ca -0.19 -2.21 -0.31 0.00 0.00 0.00 0.00 46.02 43.31 1q3k n GLY 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1q3k s TYR 72 N -0.95 2.26 0.23 1.61 5.04 -1.26 -0.84 117.35 123.44 1q3k s TYR 72 Ca 0.00 1.63 -0.31 0.00 -2.44 0.00 0.00 57.07 55.95 1q3k s TYR 72 Cb -0.00 -3.17 -0.14 0.00 0.35 0.00 0.00 41.96 39.00 1q3k s TYR 72 CO 0.00 -2.14 1.31 1.63 -1.34 0.00 0.00 175.55 175.01 1q3k n LYS 73 N -3.60 1.77 -1.93 4.97 5.02 -1.24 -4.71 118.16 118.43 1q3k n LYS 73 Ca 0.10 0.63 -0.42 0.00 -2.02 0.00 0.00 58.31 56.61 1q3k n LYS 73 Cb 0.52 -2.22 -0.03 0.00 -0.02 0.00 0.00 35.03 33.29 1q3k n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1q3k s SER 74 N 0.12 6.57 -0.13 4.39 0.15 -1.26 -4.88 113.70 118.66 1q3k s SER 74 Ca 0.68 2.70 -0.06 0.00 0.70 0.00 0.00 55.95 59.96 1q3k s SER 74 Cb -0.70 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 60.96 1q3k s SER 74 CO 0.52 -0.80 0.11 -1.10 1.20 0.00 0.00 173.24 173.17 1q3k s GLN 75 N 0.31 3.50 0.19 5.44 -1.52 -1.26 -2.37 119.66 123.96 1q3k s GLN 75 Ca 0.65 -0.21 -0.22 0.00 -1.95 0.00 0.00 55.36 53.63 1q3k s GLN 75 Cb -0.44 -3.15 0.12 0.00 -0.22 0.00 0.00 33.01 29.32 1q3k s GLN 75 CO 0.38 0.65 1.57 0.37 -0.25 0.00 0.00 175.29 178.02 1q3k h GLN 76 N 5.40 -0.13 0.00 2.91 4.15 -1.91 0.45 115.11 125.98 1q3k h GLN 76 Ca -0.51 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1q3k h GLN 76 Cb 1.21 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1q3k h GLN 76 CO 0.61 -0.08 0.00 1.63 -1.93 0.00 0.00 178.83 179.05 1q3k n LYS 77 N -5.43 0.61 0.00 1.69 5.02 -1.26 -2.09 118.16 116.70 1q3k n LYS 77 Ca 0.05 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1q3k n LYS 77 Cb 0.36 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1q3k n LYS 77 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1q3k n SER 78 N -1.06 2.38 0.00 4.39 3.41 -0.30 -4.48 113.62 117.95 1q3k n SER 78 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1q3k n SER 78 Cb 0.09 0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1q3k n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1q3k n GLY 79 N 1.51 -1.52 0.03 5.00 0.00 0.14 -4.50 105.19 105.85 1q3k n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1q3k n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q3k n GLY 80 N -0.06 3.07 0.00 -0.02 0.00 -0.89 -4.81 105.19 102.48 1q3k n GLY 80 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1q3k n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q3k n GLY 81 N 0.00 3.56 1.02 -0.02 0.00 -1.22 -4.37 105.19 104.17 1q3k n GLY 81 Ca 0.00 -1.77 0.03 0.00 0.00 0.00 0.00 46.02 44.29 1q3k n GLY 81 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1q3k n ASN 82 N 0.00 2.82 0.00 1.61 2.85 -1.00 -3.67 115.26 117.88 1q3k n ASN 82 Ca 0.00 -2.34 0.11 0.00 -0.11 0.00 0.00 54.58 52.24 1q3k n ASN 82 Cb 0.00 -0.53 -0.07 0.00 1.24 0.00 0.00 39.78 40.42 1q3k n ASN 82 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1q3k n HIS 83 N 0.28 0.05 -2.32 1.20 1.44 -1.26 -4.94 115.22 109.67 1q3k n HIS 83 Ca 0.11 0.01 -0.40 0.00 -2.01 0.00 0.00 57.72 55.44 1q3k n HIS 83 Cb 0.60 -0.18 -0.03 0.00 0.12 0.00 0.00 29.99 30.50 1q3k n HIS 83 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1q3k s PHE 84 N -3.12 3.31 0.81 -1.40 0.40 -1.24 -5.03 117.98 111.71 1q3k s PHE 84 Ca 0.05 1.57 -0.10 0.00 -0.60 0.00 0.00 56.93 57.85 1q3k s PHE 84 Cb 0.16 -3.44 0.08 0.00 0.51 0.00 0.00 43.02 40.32 1q3k s PHE 84 CO 0.85 -1.14 1.10 -2.14 0.70 0.00 0.00 175.22 174.59 1q3k s PRO 85 N -1.71 1.96 0.00 0.24 0.02 -1.26 -3.64 135.00 130.60 1q3k s PRO 85 Ca 0.48 1.21 0.00 0.00 0.02 0.00 0.00 61.00 62.71 1q3k s PRO 85 Cb -0.34 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.32 1q3k s PRO 85 CO 0.45 -1.86 0.00 0.41 -0.33 0.00 0.00 177.00 175.66 1q3k n GLY 86 N -0.95 1.84 3.71 0.52 0.00 -1.26 -4.66 105.19 104.38 1q3k n GLY 86 Ca 0.09 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1q3k n GLY 86 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1q3k s THR 87 N -0.06 2.86 -0.27 2.61 -1.32 -1.24 -4.63 115.64 113.60 1q3k s THR 87 Ca 0.00 0.53 -0.00 0.00 -1.21 0.00 0.00 61.69 61.01 1q3k s THR 87 Cb 0.00 -3.34 0.08 0.00 -1.51 0.00 0.00 72.50 67.73 1q3k s THR 87 CO 0.00 0.03 0.03 -0.89 -2.21 0.00 0.00 174.62 171.58 1q3k s THR 88 N 1.65 1.21 0.15 5.08 2.01 -0.26 -4.96 115.64 120.51 1q3k s THR 88 Ca 0.70 -1.33 0.06 0.00 0.31 0.00 0.00 61.69 61.44 1q3k s THR 88 Cb -0.41 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 1q3k s THR 88 CO 0.31 -0.41 0.04 -0.44 -0.69 0.00 0.00 174.62 173.43 1q3k s SER 89 N 1.49 5.04 0.24 3.53 0.01 -1.26 -4.35 113.70 118.41 1q3k s SER 89 Ca 0.03 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 57.04 1q3k s SER 89 Cb -0.18 -1.18 -0.04 0.00 0.21 0.00 0.00 66.02 64.83 1q3k s SER 89 CO -0.14 0.11 0.42 -0.76 0.41 0.00 0.00 173.24 173.28 1q3k s LEU 90 N -2.80 4.20 0.64 2.44 1.43 -0.02 -4.90 118.68 119.67 1q3k s LEU 90 Ca 0.28 0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 53.60 1q3k s LEU 90 Cb -0.10 -3.14 -0.02 0.00 0.03 0.00 0.00 46.19 42.96 1q3k s LEU 90 CO 0.20 -0.11 1.05 -1.81 0.23 0.00 0.00 176.35 175.91 1q3k s ASP 91 N -3.52 5.67 0.16 2.29 1.01 -1.26 -3.70 116.67 117.33 1q3k s ASP 91 Ca 0.38 1.67 -0.21 0.00 0.71 0.00 0.00 52.55 55.10 1q3k s ASP 91 Cb -0.10 -2.51 0.07 0.00 1.01 0.00 0.00 42.92 41.39 1q3k s ASP 91 CO 0.31 -1.24 1.63 1.23 0.21 0.00 0.00 175.17 177.30 1q3k h GLY 92 N -0.16 -0.05 1.53 0.21 0.00 -1.98 -1.91 103.07 100.70 1q3k h GLY 92 Ca -0.45 0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.19 1q3k h GLY 92 CO 0.58 -0.20 0.28 0.00 0.00 0.00 0.00 176.54 177.20 1q3k h ALA 93 N 0.96 1.76 -0.16 3.60 0.00 -1.99 -0.96 119.26 122.47 1q3k h ALA 93 Ca 0.17 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1q3k h ALA 93 Cb 0.46 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1q3k h ALA 93 CO -0.46 0.21 -0.35 1.15 0.00 0.00 0.00 179.25 179.79 1q3k h THR 94 N 0.52 1.35 0.21 0.00 2.02 -1.74 -0.87 112.91 114.41 1q3k h THR 94 Ca 0.17 -1.61 -0.01 0.00 0.77 0.00 0.00 66.41 65.72 1q3k h THR 94 Cb 0.02 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1q3k h THR 94 CO -0.04 0.49 -0.10 0.25 0.37 0.00 0.00 175.52 176.49 1q3k h LEU 95 N 0.16 -0.23 -0.55 2.58 5.85 -1.19 -1.95 115.31 119.99 1q3k h LEU 95 Ca 0.00 -0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.72 1q3k h LEU 95 Cb 0.96 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.98 1q3k h LEU 95 CO 0.08 -0.05 0.14 0.74 -0.34 0.00 0.00 178.44 179.01 1q3k h THR 96 N -0.41 0.73 -0.35 1.05 2.02 -1.20 -2.49 112.91 112.25 1q3k h THR 96 Ca -0.03 -0.10 -0.06 0.00 0.77 0.00 0.00 66.41 66.99 1q3k h THR 96 Cb 0.31 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1q3k h THR 96 CO 0.05 0.05 -0.02 1.23 0.37 0.00 0.00 175.52 177.20 1q3k h GLY 97 N 0.29 0.60 0.88 2.16 0.00 -0.97 -0.83 103.07 105.20 1q3k h GLY 97 Ca 0.28 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1q3k h GLY 97 CO -0.33 0.35 0.07 -0.84 0.00 0.00 0.00 176.54 175.79 1q3k h THR 98 N 0.53 1.17 -0.72 4.70 2.02 -1.03 -0.63 112.91 118.95 1q3k h THR 98 Ca 0.11 -0.53 -0.05 0.00 0.77 0.00 0.00 66.41 66.71 1q3k h THR 98 Cb 0.38 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1q3k h THR 98 CO 0.01 0.17 0.24 0.58 0.37 0.00 0.00 175.52 176.90 1q3k h VAL 99 N 0.16 1.26 -0.36 3.16 2.07 -1.33 -1.57 116.25 119.63 1q3k h VAL 99 Ca 0.06 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 1q3k h VAL 99 Cb 0.20 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1q3k h VAL 99 CO -0.00 0.34 0.05 -0.61 0.02 0.00 0.00 177.57 177.37 1q3k h GLN 100 N 1.05 0.61 -0.54 1.57 4.15 -0.90 -2.18 115.11 118.86 1q3k h GLN 100 Ca 0.23 -0.16 -0.08 0.00 0.77 0.00 0.00 58.65 59.40 1q3k h GLN 100 Cb 0.28 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1q3k h GLN 100 CO -0.01 0.68 -0.00 -0.44 -1.93 0.00 0.00 178.83 177.12 1q3k h ASP 101 N 0.44 0.88 -0.39 -0.69 3.32 -0.86 -2.02 116.42 117.10 1q3k h ASP 101 Ca 0.11 -0.23 -0.13 0.00 0.02 0.00 0.00 57.03 56.80 1q3k h ASP 101 Cb 0.37 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1q3k h ASP 101 CO 0.01 0.94 -0.27 0.40 -1.72 0.00 0.00 179.24 178.61 1q3k h ILE 102 N 0.84 1.28 -0.59 0.35 2.04 -1.18 -2.14 117.51 118.10 1q3k h ILE 102 Ca 0.16 -1.42 -0.08 0.00 1.00 0.00 0.00 64.86 64.52 1q3k h ILE 102 Cb 0.50 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1q3k h ILE 102 CO 0.02 0.48 0.07 0.40 0.00 0.00 0.00 178.15 179.12 1q3k h ILE 103 N 0.69 1.26 -0.85 -0.67 2.04 -1.25 0.43 117.51 119.15 1q3k h ILE 103 Ca 0.08 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1q3k h ILE 103 Cb 0.84 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1q3k h ILE 103 CO 0.07 0.38 0.55 -0.09 0.00 0.00 0.00 178.15 179.06 1q3k h ARG 104 N 0.90 1.14 -0.29 2.37 2.43 -1.28 -0.77 114.38 118.87 1q3k h ARG 104 Ca 0.18 -0.08 -0.15 0.00 -0.81 0.00 0.00 59.98 59.11 1q3k h ARG 104 Cb 0.46 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1q3k h ARG 104 CO 0.02 0.77 -0.43 0.93 -1.51 0.00 0.00 179.97 179.75 1q3k h GLU 105 N 1.16 0.72 -0.65 0.20 4.39 -0.77 -1.95 114.58 117.69 1q3k h GLU 105 Ca 0.31 -0.39 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 1q3k h GLU 105 Cb -0.10 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 1q3k h GLU 105 CO -0.06 1.01 0.23 -0.07 -1.16 0.00 0.00 179.01 178.96 1q3k h LEU 106 N 0.59 0.89 -1.06 1.33 3.38 -0.64 -1.07 115.31 118.73 1q3k h LEU 106 Ca 0.04 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1q3k h LEU 106 Cb 0.98 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1q3k h LEU 106 CO 0.09 0.82 0.26 0.00 0.09 0.00 0.00 178.44 179.70 1q3k h ALA 107 N 1.31 1.26 -0.61 1.53 0.00 -0.87 -0.57 119.26 121.31 1q3k h ALA 107 Ca 0.22 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1q3k h ALA 107 Cb 0.23 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1q3k h ALA 107 CO -0.01 0.55 0.22 -0.09 0.00 0.00 0.00 179.25 179.92 1q3k h ARG 108 N 0.92 0.92 -0.37 0.00 2.43 -0.46 -2.72 114.38 115.11 1q3k h ARG 108 Ca 0.22 -0.18 0.08 0.00 -0.81 0.00 0.00 59.98 59.29 1q3k h ARG 108 Cb 0.17 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1q3k h ARG 108 CO -0.02 0.80 0.26 0.45 -1.51 0.00 0.00 179.97 179.95 1q3k h HIS 109 N 0.85 0.12 0.00 2.20 3.86 -0.82 -3.46 115.15 117.90 1q3k h HIS 109 Ca 0.20 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1q3k h HIS 109 Cb 0.24 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1q3k h HIS 109 CO 0.01 0.06 0.00 0.41 0.86 0.00 0.00 177.93 179.27 1q3k n GLY 110 N -1.57 1.13 3.76 2.45 0.00 -0.95 -4.94 105.19 105.06 1q3k n GLY 110 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1q3k n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q3k s VAL 111 N -2.00 2.85 0.00 1.61 1.01 -0.26 -4.92 120.40 118.68 1q3k s VAL 111 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1q3k s VAL 111 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1q3k s VAL 111 CO 0.00 -0.09 0.26 0.54 0.00 0.00 0.00 175.10 175.81 1q3k n ARG 112 N -1.24 0.00 -3.79 2.72 5.12 -1.26 -4.12 116.66 114.08 1q3k n ARG 112 Ca 0.12 -0.26 -0.27 0.00 -1.93 0.00 0.00 57.85 55.51 1q3k n ARG 112 Cb 0.49 -0.45 -0.17 0.00 -1.16 0.00 0.00 32.46 31.17 1q3k n ARG 112 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1q3k s ARG 113 N 0.00 0.90 -0.04 5.56 0.52 -1.26 -0.85 118.95 123.78 1q3k s ARG 113 Ca 0.00 -0.33 0.02 0.00 -0.52 0.00 0.00 55.73 54.90 1q3k s ARG 113 Cb 0.00 -1.81 0.01 0.00 0.52 0.00 0.00 34.95 33.67 1q3k s ARG 113 CO 0.00 -0.49 -0.09 -1.17 0.02 0.00 0.00 175.30 173.56 1q3k s LEU 114 N 1.81 1.71 -0.18 2.53 2.96 -0.50 -1.69 118.68 125.32 1q3k s LEU 114 Ca 0.01 -0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1q3k s LEU 114 Cb -0.15 -0.61 -0.00 0.00 0.50 0.00 0.00 46.19 45.93 1q3k s LEU 114 CO -0.07 0.05 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.20 1q3k s VAL 115 N 0.35 2.82 -0.27 1.68 1.01 0.43 -0.96 120.40 125.47 1q3k s VAL 115 Ca -0.06 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 1q3k s VAL 115 Cb -0.11 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1q3k s VAL 115 CO 0.01 0.49 0.10 -0.76 0.00 0.00 0.00 175.10 174.95 1q3k s LEU 116 N 1.08 3.66 -0.40 3.92 1.43 0.53 -1.01 118.68 127.90 1q3k s LEU 116 Ca 0.00 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 52.80 1q3k s LEU 116 Cb -0.15 -1.97 0.08 0.00 0.03 0.00 0.00 46.19 44.19 1q3k s LEU 116 CO -0.03 -0.07 0.20 -0.32 0.23 0.00 0.00 176.35 176.36 1q3k s MET 117 N 1.64 2.40 0.15 1.70 1.75 -0.41 -1.99 119.30 124.54 1q3k s MET 117 Ca 0.06 -1.53 -0.27 0.00 -1.25 0.00 0.00 55.69 52.70 1q3k s MET 117 Cb -0.16 -3.63 -0.07 0.00 2.84 0.00 0.00 34.83 33.81 1q3k s MET 117 CO 0.05 -0.93 0.82 1.21 -0.65 0.00 0.00 175.02 175.52 1q3k s ASN 118 N 1.89 7.42 0.00 1.11 3.04 0.41 -1.19 114.94 127.62 1q3k s ASN 118 Ca 0.03 1.68 0.00 0.00 0.04 0.00 0.00 52.86 54.62 1q3k s ASN 118 Cb -0.22 -2.52 0.00 0.00 -1.54 0.00 0.00 41.25 36.96 1q3k s ASN 118 CO -0.00 0.14 0.33 0.61 -3.04 0.00 0.00 177.10 175.13 1q3k n GLY 119 N 1.78 -0.63 2.95 1.21 0.00 0.18 -3.30 105.19 107.39 1q3k n GLY 119 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1q3k n GLY 119 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1q3k s HIS 120 N -0.26 2.41 0.23 1.61 5.65 -1.24 -4.65 115.29 119.04 1q3k s HIS 120 Ca 0.00 -1.72 -0.10 0.00 0.25 0.00 0.00 55.06 53.49 1q3k s HIS 120 Cb 0.00 -1.60 0.35 0.00 -1.18 0.00 0.00 32.58 30.15 1q3k s HIS 120 CO 0.00 -0.77 1.38 0.98 -0.65 0.00 0.00 174.74 175.69 1q3k n TYR 121 N 4.67 0.22 0.37 3.88 9.36 -1.26 -1.21 117.16 133.20 1q3k n TYR 121 Ca -0.13 1.09 0.09 0.00 3.32 0.00 0.00 57.90 62.27 1q3k n TYR 121 Cb 0.45 -0.96 0.38 0.00 -0.63 0.00 0.00 39.34 38.58 1q3k n TYR 121 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1q3k n GLU 122 N -5.40 0.09 0.14 2.98 4.71 -1.26 -3.06 120.64 118.84 1q3k n GLU 122 Ca 0.13 0.38 -0.01 0.00 -0.01 0.00 0.00 57.16 57.65 1q3k n GLU 122 Cb 0.42 -1.70 0.18 0.00 -1.01 0.00 0.00 31.44 29.33 1q3k n GLU 122 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 1q3k h ASN 123 N 0.00 0.00 -0.34 1.62 2.35 -1.49 -3.41 115.58 114.32 1q3k h ASN 123 Ca 0.00 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1q3k h ASN 123 Cb 0.25 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 1q3k h ASN 123 CO 0.00 0.60 -0.20 -1.20 -1.65 0.00 0.00 177.43 174.99 1q3k n SER 124 N -3.79 -0.36 0.18 5.81 7.64 -1.17 -1.23 113.62 120.71 1q3k n SER 124 Ca -0.01 0.98 0.03 0.00 1.01 0.00 0.00 58.87 60.88 1q3k n SER 124 Cb 0.61 -0.27 0.41 0.00 -1.01 0.00 0.00 64.21 63.95 1q3k n SER 124 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1q3k h MET 125 N 0.00 0.05 -0.00 1.43 2.86 -1.88 -1.52 114.93 115.87 1q3k h MET 125 Ca 0.05 -0.01 -0.18 0.00 -2.06 0.00 0.00 59.70 57.50 1q3k h MET 125 Cb 0.14 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 1q3k h MET 125 CO -0.32 0.32 -0.83 0.74 1.06 0.00 0.00 176.91 177.88 1q3k h PHE 126 N 0.04 0.15 -0.63 -0.22 -1.00 -1.45 -1.21 116.94 112.62 1q3k h PHE 126 Ca 0.01 -0.08 -0.08 0.00 2.81 0.00 0.00 57.97 60.62 1q3k h PHE 126 Cb 0.50 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.02 1q3k h PHE 126 CO 0.00 0.88 0.07 0.82 -1.61 0.00 0.00 178.31 178.47 1q3k h ILE 127 N 0.06 1.26 -0.43 -0.55 2.04 -0.63 -1.07 117.51 118.18 1q3k h ILE 127 Ca -0.02 -1.07 -0.09 0.00 1.00 0.00 0.00 64.86 64.68 1q3k h ILE 127 Cb 1.44 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1q3k h ILE 127 CO 0.12 0.39 -0.09 0.58 0.00 0.00 0.00 178.15 179.15 1q3k h VAL 128 N 0.99 1.27 -0.66 1.67 2.07 -1.09 -1.46 116.25 119.04 1q3k h VAL 128 Ca 0.19 -1.20 -0.09 0.00 0.82 0.00 0.00 66.70 66.43 1q3k h VAL 128 Cb 0.47 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1q3k h VAL 128 CO 0.02 0.41 0.08 -0.08 0.02 0.00 0.00 177.57 178.01 1q3k h GLU 129 N 0.66 1.12 -0.92 1.57 4.57 -1.04 -1.08 114.58 119.45 1q3k h GLU 129 Ca 0.11 -0.31 0.05 0.00 -1.18 0.00 0.00 59.36 58.02 1q3k h GLU 129 Cb 0.63 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 29.04 1q3k h GLU 129 CO 0.04 1.03 0.59 0.78 -1.18 0.00 0.00 179.01 180.28 1q3k h GLY 130 N 1.03 1.37 0.71 1.92 0.00 -0.89 -0.93 103.07 106.29 1q3k h GLY 130 Ca 0.20 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1q3k h GLY 130 CO 0.02 0.36 -0.01 -2.22 0.00 0.00 0.00 176.54 174.68 1q3k h ILE 131 N 1.13 1.27 -0.69 2.60 2.04 -1.03 -1.46 117.51 121.37 1q3k h ILE 131 Ca 0.38 -0.86 0.02 0.00 1.00 0.00 0.00 64.86 65.40 1q3k h ILE 131 Cb 0.07 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 1q3k h ILE 131 CO -0.14 0.24 0.44 -0.78 0.00 0.00 0.00 178.15 177.91 1q3k h ASP 132 N -0.18 0.74 -0.64 1.72 3.58 -0.86 0.38 116.42 121.15 1q3k h ASP 132 Ca 0.02 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.37 1q3k h ASP 132 Cb 0.38 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 1q3k h ASP 132 CO 0.01 0.52 0.05 -0.07 -2.88 0.00 0.00 179.24 176.86 1q3k h LEU 133 N 0.87 1.07 -0.24 2.28 3.38 -1.18 0.20 115.31 121.70 1q3k h LEU 133 Ca 0.27 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1q3k h LEU 133 Cb -0.02 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1q3k h LEU 133 CO -0.09 1.09 -0.10 0.00 0.09 0.00 0.00 178.44 179.43 1q3k h ALA 134 N 1.02 0.34 -0.92 1.53 0.00 -0.79 -2.30 119.26 118.14 1q3k h ALA 134 Ca 0.19 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1q3k h ALA 134 Cb 0.51 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1q3k h ALA 134 CO 0.02 0.19 0.59 -0.07 0.00 0.00 0.00 179.25 179.98 1q3k h LEU 135 N 0.23 1.08 -0.83 0.00 3.38 -0.78 0.86 115.31 119.25 1q3k h LEU 135 Ca 0.06 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1q3k h LEU 135 Cb 0.60 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1q3k h LEU 135 CO 0.03 0.81 0.54 -0.09 0.09 0.00 0.00 178.44 179.82 1q3k h ARG 136 N 1.26 1.06 -0.46 1.13 2.43 -0.90 -1.01 114.38 117.89 1q3k h ARG 136 Ca 0.34 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.34 1q3k h ARG 136 Cb -0.10 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.20 1q3k h ARG 136 CO -0.07 0.70 -0.12 1.49 -1.51 0.00 0.00 179.97 180.46 1q3k h GLU 137 N 1.09 0.90 -0.97 0.20 4.81 -0.65 -2.98 114.58 116.97 1q3k h GLU 137 Ca 0.32 -0.35 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1q3k h GLU 137 Cb -0.07 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.20 1q3k h GLU 137 CO -0.09 0.99 0.63 -0.07 -0.73 0.00 0.00 179.01 179.75 1q3k h LEU 138 N 0.74 1.03 -1.31 1.64 4.07 -0.00 -0.78 115.31 120.69 1q3k h LEU 138 Ca 0.12 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.05 1q3k h LEU 138 Cb 0.67 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.16 1q3k h LEU 138 CO 0.05 0.68 0.13 0.03 -1.08 0.00 0.00 178.44 178.25 1q3k h ARG 139 N 1.18 0.60 0.00 1.13 3.08 -1.08 0.12 114.38 119.41 1q3k h ARG 139 Ca 0.41 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.30 1q3k h ARG 139 Cb 0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1q3k h ARG 139 CO -0.15 0.53 -0.28 1.88 -1.07 0.00 0.00 179.97 180.87 1q3k h TYR 140 N 0.59 0.00 -0.20 3.04 0.99 -1.04 -1.43 116.97 118.92 1q3k h TYR 140 Ca 0.14 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.87 1q3k h TYR 140 Cb 0.18 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.91 1q3k h TYR 140 CO 0.01 0.28 0.00 0.00 -0.00 0.00 0.00 178.16 178.45 1q3k n ALA 141 N -2.46 2.50 -0.81 3.88 0.00 0.25 -4.91 120.51 118.96 1q3k n ALA 141 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1q3k n ALA 141 Cb 0.34 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1q3k n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q3k n GLY 142 N 1.09 0.84 3.53 0.00 0.00 -0.54 -5.02 105.19 105.08 1q3k n GLY 142 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1q3k n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q3k s ILE 143 N -3.26 5.06 -0.03 -0.61 1.01 -0.30 -4.89 121.20 118.18 1q3k s ILE 143 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.70 1q3k s ILE 143 Cb 0.00 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.50 1q3k s ILE 143 CO 0.00 -0.28 0.52 1.41 0.00 0.00 0.00 174.94 176.59 1q3k n HIS 144 N 5.66 0.00 -0.82 3.97 8.25 -1.26 -3.35 115.22 127.67 1q3k n HIS 144 Ca -0.06 -0.01 0.08 0.00 -0.26 0.00 0.00 57.72 57.47 1q3k n HIS 144 Cb 0.48 -0.00 0.35 0.00 1.12 0.00 0.00 29.99 31.94 1q3k n HIS 144 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1q3k n ASP 145 N 0.01 4.94 -4.69 0.41 5.75 -1.26 -4.92 116.55 116.78 1q3k n ASP 145 Ca 0.00 -2.78 -0.40 0.00 -0.01 0.00 0.00 54.79 51.60 1q3k n ASP 145 Cb 0.01 -0.60 -0.05 0.00 -1.03 0.00 0.00 41.12 39.45 1q3k n ASP 145 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1q3k s PHE 146 N -2.45 3.51 -0.03 2.11 5.36 -1.26 -4.85 117.98 120.36 1q3k s PHE 146 Ca 0.50 1.22 0.06 0.00 -0.96 0.00 0.00 56.93 57.75 1q3k s PHE 146 Cb 0.36 -2.88 -0.01 0.00 -0.34 0.00 0.00 43.02 40.15 1q3k s PHE 146 CO 0.17 -0.05 -0.21 0.21 -1.46 0.00 0.00 175.22 173.88 1q3k s LYS 147 N 1.36 1.90 -0.02 10.12 2.20 -0.03 -5.02 119.74 130.25 1q3k s LYS 147 Ca 0.37 -0.75 0.05 0.00 -0.36 0.00 0.00 55.97 55.28 1q3k s LYS 147 Cb -0.17 -1.74 -0.01 0.00 -1.51 0.00 0.00 37.83 34.40 1q3k s LYS 147 CO 0.16 0.39 -0.17 0.08 -0.36 0.00 0.00 175.35 175.45 1q3k s VAL 148 N -0.30 1.36 -0.19 4.02 1.01 -1.26 -1.40 120.40 123.64 1q3k s VAL 148 Ca 0.03 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 1q3k s VAL 148 Cb -0.10 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.16 1q3k s VAL 148 CO 0.01 0.38 -0.16 -0.69 0.00 0.00 0.00 175.10 174.65 1q3k s VAL 149 N -0.35 2.46 -0.05 2.92 1.01 -0.13 -4.98 120.40 121.27 1q3k s VAL 149 Ca 0.05 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1q3k s VAL 149 Cb -0.07 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1q3k s VAL 149 CO -0.00 0.51 -0.11 -0.69 0.00 0.00 0.00 175.10 174.80 1q3k s VAL 150 N 1.26 3.35 -0.03 2.92 1.01 -1.26 -0.35 120.40 127.31 1q3k s VAL 150 Ca 0.04 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 1q3k s VAL 150 Cb -0.14 -2.35 0.09 0.00 0.00 0.00 0.00 36.38 33.98 1q3k s VAL 150 CO -0.09 0.58 0.75 -1.48 0.00 0.00 0.00 175.10 174.86 1q3k s LEU 151 N -0.82 -0.55 -0.27 3.92 0.05 -0.84 -4.97 118.68 115.20 1q3k s LEU 151 Ca 0.12 0.42 -0.08 0.00 0.05 0.00 0.00 54.13 54.65 1q3k s LEU 151 Cb -0.11 2.35 -0.02 0.00 -2.05 0.00 0.00 46.19 46.36 1q3k s LEU 151 CO 0.01 -0.63 0.09 -0.44 -0.55 0.00 0.00 176.35 174.84 1q3k s SER 152 N -1.64 5.25 0.37 1.48 0.01 -1.26 -0.45 113.70 117.47 1q3k s SER 152 Ca -0.05 -0.34 0.16 0.00 1.31 0.00 0.00 55.95 57.03 1q3k s SER 152 Cb -0.00 -1.94 1.05 0.00 0.21 0.00 0.00 66.02 65.33 1q3k s SER 152 CO 0.01 -0.09 1.75 0.10 0.41 0.00 0.00 173.24 175.42 1q3k h TYR 153 N 8.27 0.78 0.00 2.43 -0.00 -1.92 0.78 116.97 127.30 1q3k h TYR 153 Ca -0.36 0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.40 1q3k h TYR 153 Cb 1.16 -0.22 0.00 0.00 0.00 0.00 0.00 36.73 37.67 1q3k h TYR 153 CO 0.66 0.04 0.00 0.11 -0.00 0.00 0.00 178.16 178.97 1q3k h TRP 154 N 0.44 0.00 0.00 0.10 0.09 -1.94 -1.99 115.95 112.64 1q3k h TRP 154 Ca 0.63 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.61 1q3k h TRP 154 Cb 1.47 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.71 1q3k h TRP 154 CO -0.00 0.00 0.00 -0.25 0.09 0.00 0.00 178.44 178.28 1q3k n ASP 155 N -2.86 0.13 -0.22 0.11 8.00 0.27 -2.16 116.55 119.81 1q3k n ASP 155 Ca -0.01 0.53 0.14 0.00 0.71 0.00 0.00 54.79 56.16 1q3k n ASP 155 Cb 0.19 -0.56 0.70 0.00 -0.02 0.00 0.00 41.12 41.43 1q3k n ASP 155 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1q3k n PHE 156 N -1.64 0.02 -3.31 1.24 3.01 -0.75 -4.33 117.46 111.70 1q3k n PHE 156 Ca 0.04 -0.01 -0.45 0.00 1.01 0.00 0.00 57.45 58.03 1q3k n PHE 156 Cb 0.20 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.67 1q3k n PHE 156 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1q3k s VAL 157 N -1.98 5.89 -0.16 -4.37 1.01 -0.92 -4.72 120.40 115.16 1q3k s VAL 157 Ca 0.41 -3.26 0.00 0.00 0.00 0.00 0.00 61.98 59.13 1q3k s VAL 157 Cb 0.20 -4.61 -0.10 0.00 0.00 0.00 0.00 36.38 31.87 1q3k s VAL 157 CO 0.33 -1.20 -0.15 0.29 0.00 0.00 0.00 175.10 174.37 1q3k n LYS 158 N 3.07 0.40 -1.65 2.72 5.02 -1.26 -4.92 118.16 121.52 1q3k n LYS 158 Ca 0.24 0.10 -0.61 0.00 -2.02 0.00 0.00 58.31 56.01 1q3k n LYS 158 Cb 0.40 -1.30 -0.09 0.00 -0.02 0.00 0.00 35.03 34.02 1q3k n LYS 158 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1q3k n ASP 159 N -3.03 1.76 0.04 4.39 2.03 -1.26 -4.79 116.55 115.69 1q3k n ASP 159 Ca -0.29 1.02 0.15 0.00 0.52 0.00 0.00 54.79 56.19 1q3k n ASP 159 Cb 0.80 -1.03 0.62 0.00 -0.72 0.00 0.00 41.12 40.79 1q3k n ASP 159 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1q3k h PRO 160 N 7.07 0.11 -0.37 -0.67 0.11 -1.98 0.88 132.00 137.16 1q3k h PRO 160 Ca -0.40 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.59 1q3k h PRO 160 Cb 1.35 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 1q3k h PRO 160 CO 0.99 0.08 -0.21 0.00 -0.21 0.00 0.00 178.00 178.64 1q3k h ALA 161 N 1.79 0.53 -0.32 -0.75 0.00 -1.98 0.18 119.26 118.70 1q3k h ALA 161 Ca 0.20 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 1q3k h ALA 161 Cb 0.64 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1q3k h ALA 161 CO -0.02 0.49 -0.27 0.28 0.00 0.00 0.00 179.25 179.73 1q3k h VAL 162 N 0.60 1.29 -0.53 0.00 2.07 -1.60 -0.74 116.25 117.34 1q3k h VAL 162 Ca 0.08 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.17 1q3k h VAL 162 Cb 0.77 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1q3k h VAL 162 CO 0.06 0.46 0.33 0.40 0.02 0.00 0.00 177.57 178.85 1q3k h ILE 163 N 0.51 1.15 -0.22 4.57 2.04 -0.76 0.28 117.51 125.08 1q3k h ILE 163 Ca 0.06 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1q3k h ILE 163 Cb 0.84 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1q3k h ILE 163 CO 0.07 0.15 0.13 -0.61 0.00 0.00 0.00 178.15 177.89 1q3k h GLN 164 N 0.72 0.31 -0.37 2.37 4.15 -0.54 0.92 115.11 122.67 1q3k h GLN 164 Ca 0.19 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.55 1q3k h GLN 164 Cb -0.04 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 1q3k h GLN 164 CO -0.04 0.27 0.09 -0.09 -1.93 0.00 0.00 178.83 177.14 1q3k h ARG 165 N 0.26 0.53 -0.01 1.69 2.43 -0.70 -1.26 114.38 117.32 1q3k h ARG 165 Ca 0.08 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1q3k h ARG 165 Cb 0.05 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1q3k h ARG 165 CO -0.01 0.49 -0.21 -0.07 -1.51 0.00 0.00 179.97 178.66 1q3k h LEU 166 N 0.52 0.19 -5.92 3.80 -0.00 0.14 -3.39 115.31 110.66 1q3k h LEU 166 Ca 0.12 -0.76 -0.64 0.00 -0.00 0.00 0.00 57.88 56.61 1q3k h LEU 166 Cb 0.19 -0.06 -0.39 0.00 -0.00 0.00 0.00 40.66 40.41 1q3k h LEU 166 CO -0.00 0.93 -0.30 -1.22 -0.00 0.00 0.00 178.44 177.84 1q3k n TYR 167 N -4.54 3.58 -1.39 1.13 4.02 0.31 -4.98 117.16 115.29 1q3k n TYR 167 Ca -0.10 -3.76 -0.30 0.00 -0.01 0.00 0.00 57.90 53.73 1q3k n TYR 167 Cb 0.48 -0.67 -0.09 0.00 -0.02 0.00 0.00 39.34 39.03 1q3k n TYR 167 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1q3k n PRO 168 N 0.37 0.73 0.00 -0.72 -0.02 -0.50 -0.62 135.00 134.24 1q3k n PRO 168 Ca 0.32 -1.78 0.00 0.00 -2.02 0.00 0.00 63.50 60.02 1q3k n PRO 168 Cb 0.38 -3.38 0.00 0.00 -0.02 0.00 0.00 33.50 30.48 1q3k n PRO 168 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1q3k n GLU 169 N 7.95 0.00 0.00 -0.52 4.07 -1.26 -5.11 120.64 125.76 1q3k n GLU 169 Ca 0.45 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.55 1q3k n GLU 169 Cb 0.45 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.83 1q3k n GLU 169 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1q3k n GLY 170 N 0.00 0.47 3.71 8.31 0.00 0.21 -4.98 105.19 112.91 1q3k n GLY 170 Ca 0.00 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 1q3k n GLY 170 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1q3k s PHE 171 N -1.83 3.56 0.06 1.61 5.99 -1.26 -4.90 117.98 121.21 1q3k s PHE 171 Ca 0.00 1.25 -0.02 0.00 0.00 0.00 0.00 56.93 58.17 1q3k s PHE 171 Cb 0.00 -2.83 -0.27 0.00 0.00 0.00 0.00 43.02 39.92 1q3k s PHE 171 CO 0.00 0.05 1.06 -0.07 -0.00 0.00 0.00 175.22 176.26 1q3k h LEU 172 N 6.93 0.34 0.00 6.12 3.38 -1.96 -3.50 115.31 126.61 1q3k h LEU 172 Ca -0.40 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1q3k h LEU 172 Cb 1.19 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1q3k h LEU 172 CO 0.76 1.32 0.00 0.61 0.09 0.00 0.00 178.44 181.22 1q3k n GLY 173 N 1.55 3.69 0.27 0.83 0.00 -1.26 -4.89 105.19 105.37 1q3k n GLY 173 Ca -0.10 -1.74 0.14 0.00 0.00 0.00 0.00 46.02 44.32 1q3k n GLY 173 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1q3k h TRP 174 N 0.00 0.00 0.19 1.61 -0.00 -1.97 -3.23 115.95 112.54 1q3k h TRP 174 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.89 58.90 1q3k h TRP 174 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 29.12 1q3k h TRP 174 CO 0.00 0.10 -0.41 -0.44 -0.00 0.00 0.00 178.44 177.69 1q3k h ASP 175 N 0.00 -1.19 -0.22 -3.49 3.45 -1.90 -2.46 116.42 110.61 1q3k h ASP 175 Ca -0.00 0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.58 1q3k h ASP 175 Cb 0.36 0.44 0.00 0.00 -0.56 0.00 0.00 39.33 39.57 1q3k h ASP 175 CO 0.01 -0.50 0.00 2.30 -1.57 0.00 0.00 179.24 179.48 1q3k n ILE 176 N -5.47 0.38 -0.85 0.35 -5.35 -1.22 -4.30 119.36 102.89 1q3k n ILE 176 Ca -0.08 -0.32 -0.11 0.00 -0.27 0.00 0.00 62.75 61.97 1q3k n ILE 176 Cb 0.38 0.06 -0.03 0.00 -1.74 0.00 0.00 39.64 38.31 1q3k n ILE 176 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1q3k n GLU 177 N 0.16 1.63 -3.55 6.28 -0.58 -0.93 -3.15 120.64 120.51 1q3k n GLU 177 Ca 0.08 -0.98 -0.41 0.00 -0.42 0.00 0.00 57.16 55.42 1q3k n GLU 177 Cb 0.24 -1.54 -0.10 0.00 -0.57 0.00 0.00 31.44 29.47 1q3k n GLU 177 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1q3k s HIS 178 N -0.56 3.26 -0.27 -0.32 5.65 -1.26 -4.25 115.29 117.54 1q3k s HIS 178 Ca 0.31 -1.01 0.00 0.00 0.25 0.00 0.00 55.06 54.61 1q3k s HIS 178 Cb 0.19 -2.66 0.00 0.00 -1.18 0.00 0.00 32.58 28.93 1q3k s HIS 178 CO -0.03 -0.70 0.00 0.41 -0.65 0.00 0.00 174.74 173.77 1q3k n GLY 179 N 5.04 0.57 0.00 1.59 0.00 -1.26 -2.05 105.19 109.08 1q3k n GLY 179 Ca -0.11 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1q3k n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q3k n GLY 180 N -2.17 1.41 0.15 -0.02 0.00 -1.25 -4.45 105.19 98.86 1q3k n GLY 180 Ca -0.03 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 1q3k n GLY 180 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1q3k h VAL 181 N 0.00 1.10 0.44 1.61 2.07 -1.84 -2.26 116.25 117.37 1q3k h VAL 181 Ca 0.00 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1q3k h VAL 181 Cb 0.00 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1q3k h VAL 181 CO 0.00 0.10 -0.45 0.15 0.02 0.00 0.00 177.57 177.39 1q3k h PHE 182 N 0.39 -1.24 -0.18 1.57 3.57 -1.94 -1.28 116.94 117.83 1q3k h PHE 182 Ca 0.11 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 1q3k h PHE 182 Cb 0.01 0.49 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 1q3k h PHE 182 CO -0.04 -0.61 -0.27 0.93 -2.23 0.00 0.00 178.31 176.08 1q3k h GLU 183 N -0.90 0.50 -0.69 1.11 5.08 -1.84 -2.63 114.58 115.21 1q3k h GLU 183 Ca -0.04 -0.30 0.04 0.00 -1.00 0.00 0.00 59.36 58.06 1q3k h GLU 183 Cb 0.80 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.03 1q3k h GLU 183 CO -0.07 0.90 0.41 1.15 -1.00 0.00 0.00 179.01 180.40 1q3k h THR 184 N 0.15 1.04 -0.19 1.13 2.02 -1.45 -0.39 112.91 115.22 1q3k h THR 184 Ca 0.02 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1q3k h THR 184 Cb 0.85 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1q3k h THR 184 CO 0.06 0.14 0.07 0.28 0.37 0.00 0.00 175.52 176.45 1q3k h SER 185 N 0.79 0.26 0.28 4.18 0.02 -1.21 0.25 113.55 118.12 1q3k h SER 185 Ca 0.29 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1q3k h SER 185 Cb 0.09 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1q3k h SER 185 CO -0.14 0.36 -0.17 0.25 -1.14 0.00 0.00 176.83 175.99 1q3k h LEU 186 N 0.14 0.00 -0.19 5.07 5.85 -1.29 -1.46 115.31 123.44 1q3k h LEU 186 Ca 0.06 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.56 1q3k h LEU 186 Cb 0.18 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.22 1q3k h LEU 186 CO -0.00 0.17 -0.85 -0.03 -0.34 0.00 0.00 178.44 177.39 1q3k h MET 187 N 0.00 0.63 -0.03 1.25 4.05 -0.37 -2.15 114.93 118.30 1q3k h MET 187 Ca -0.00 -0.57 -0.06 0.00 -0.28 0.00 0.00 59.70 58.79 1q3k h MET 187 Cb 0.36 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 1q3k h MET 187 CO 0.02 1.18 -0.25 -0.07 0.23 0.00 0.00 176.91 178.02 1q3k h LEU 188 N 0.40 0.04 0.00 3.39 3.38 0.53 0.24 115.31 123.30 1q3k h LEU 188 Ca -0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1q3k h LEU 188 Cb 1.47 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1q3k h LEU 188 CO 0.16 0.30 -0.72 0.00 0.09 0.00 0.00 178.44 178.27 1q3k n ALA 189 N -2.49 3.04 -0.05 1.53 0.00 -0.95 -4.05 120.51 117.54 1q3k n ALA 189 Ca -0.02 -0.29 -0.10 0.00 0.00 0.00 0.00 53.44 53.04 1q3k n ALA 189 Cb 0.32 -1.12 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 1q3k n ALA 189 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1q3k n LEU 190 N -2.07 1.43 -3.25 0.00 4.77 -0.82 -4.91 117.00 112.16 1q3k n LEU 190 Ca 0.03 0.07 -0.25 0.00 -0.03 0.00 0.00 56.01 55.83 1q3k n LEU 190 Cb 0.44 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 41.15 1q3k n LEU 190 CO 0.37 0.35 -0.17 -1.22 -1.33 0.00 0.00 177.39 175.40 1q3k n TYR 191 N -3.24 1.00 -0.26 -1.77 4.02 0.82 -4.98 117.16 112.75 1q3k n TYR 191 Ca -0.19 -3.77 0.11 0.00 -0.01 0.00 0.00 57.90 54.04 1q3k n TYR 191 Cb 0.65 -0.42 0.37 0.00 -0.02 0.00 0.00 39.34 39.92 1q3k n TYR 191 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1q3k h PRO 192 N 3.95 0.70 0.00 -0.72 0.11 -1.69 -0.72 132.00 133.63 1q3k h PRO 192 Ca 0.11 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 1q3k h PRO 192 Cb 0.81 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.76 1q3k h PRO 192 CO 0.59 0.46 -0.03 -0.44 -0.21 0.00 0.00 178.00 178.37 1q3k h ASP 193 N 0.72 0.00 -0.19 -2.05 3.32 -1.93 -1.85 116.42 114.44 1q3k h ASP 193 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 1q3k h ASP 193 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1q3k h ASP 193 CO -0.19 0.03 0.00 0.18 -1.72 0.00 0.00 179.24 177.54 1q3k n LEU 194 N -3.98 1.55 -3.87 1.55 4.77 -0.28 -4.84 117.00 111.90 1q3k n LEU 194 Ca -0.03 -0.68 -0.18 0.00 -0.03 0.00 0.00 56.01 55.09 1q3k n LEU 194 Cb 0.11 -0.12 -0.16 0.00 -2.33 0.00 0.00 43.42 40.92 1q3k n LEU 194 CO 0.30 0.34 -0.39 0.54 -1.33 0.00 0.00 177.39 176.85 1q3k s VAL 195 N -1.75 0.34 -0.43 4.08 0.11 -0.70 -2.44 120.40 119.61 1q3k s VAL 195 Ca 0.29 -0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.32 1q3k s VAL 195 Cb 0.16 -0.38 0.13 0.00 -1.53 0.00 0.00 36.38 34.76 1q3k s VAL 195 CO 0.23 0.16 0.21 -0.62 -3.33 0.00 0.00 175.10 171.76 1q3k s ASP 196 N 0.74 3.86 0.62 3.54 2.15 0.40 -4.91 116.67 123.07 1q3k s ASP 196 Ca -0.08 -2.54 0.26 0.00 0.43 0.00 0.00 52.55 50.61 1q3k s ASP 196 Cb -0.12 -1.14 1.23 0.00 -0.30 0.00 0.00 42.92 42.59 1q3k s ASP 196 CO -0.01 -0.29 1.67 -0.07 -0.17 0.00 0.00 175.17 176.31 1q3k h LEU 197 N 6.90 0.00 -0.76 -1.34 -0.00 -1.96 -0.39 115.31 117.76 1q3k h LEU 197 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1q3k h LEU 197 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 1q3k h LEU 197 CO 0.51 0.00 0.00 -0.33 -0.00 0.00 0.00 178.44 178.62 1q3k h GLU 198 N 0.00 0.00 -0.01 1.13 5.08 -1.95 -2.25 114.58 116.58 1q3k h GLU 198 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1q3k h GLU 198 Cb 1.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.81 1q3k h GLU 198 CO -0.00 0.00 -0.46 0.54 -1.00 0.00 0.00 179.01 178.09 1q3k n ARG 199 N -2.38 1.02 -1.63 2.33 1.74 -0.15 -4.91 116.66 112.68 1q3k n ARG 199 Ca 0.02 -0.79 -0.48 0.00 -0.77 0.00 0.00 57.85 55.84 1q3k n ARG 199 Cb 0.26 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.46 30.17 1q3k n ARG 199 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1q3k n VAL 200 N -0.30 0.48 -3.02 1.55 0.31 -0.85 -4.44 118.33 112.06 1q3k n VAL 200 Ca 0.10 -0.19 -0.44 0.00 -0.01 0.00 0.00 64.34 63.79 1q3k n VAL 200 Cb 0.43 -1.97 -0.04 0.00 -0.91 0.00 0.00 33.84 31.35 1q3k n VAL 200 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1q3k s VAL 201 N 5.40 4.72 0.52 2.52 1.01 -1.26 -4.98 120.40 128.33 1q3k s VAL 201 Ca 0.97 -1.06 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 1q3k s VAL 201 Cb -0.65 -4.61 -0.06 0.00 0.00 0.00 0.00 36.38 31.06 1q3k s VAL 201 CO 0.48 -1.29 1.35 -0.62 0.00 0.00 0.00 175.10 175.02 1q3k s ASP 202 N 3.54 5.49 0.08 3.32 -1.08 -1.26 -4.87 116.67 121.89 1q3k s ASP 202 Ca 0.19 2.75 -0.26 0.00 -0.52 0.00 0.00 52.55 54.72 1q3k s ASP 202 Cb -0.17 -2.64 0.08 0.00 -1.46 0.00 0.00 42.92 38.74 1q3k s ASP 202 CO 0.03 -1.42 0.77 -1.38 0.52 0.00 0.00 175.17 173.69 1q3k s HIS 203 N -1.30 -0.41 0.50 -5.34 -3.43 -1.26 -5.04 115.29 99.01 1q3k s HIS 203 Ca 0.68 0.22 -0.22 0.00 -0.80 0.00 0.00 55.06 54.95 1q3k s HIS 203 Cb -0.40 0.56 -0.06 0.00 -1.43 0.00 0.00 32.58 31.24 1q3k s HIS 203 CO 0.48 -0.70 1.20 -2.14 -2.00 0.00 0.00 174.74 171.58 1q3k s PRO 204 N -3.40 3.53 0.32 -0.38 0.02 -1.26 -4.01 135.00 129.81 1q3k s PRO 204 Ca 0.04 1.83 -0.26 0.00 0.02 0.00 0.00 61.00 62.63 1q3k s PRO 204 Cb -0.01 -2.28 -0.14 0.00 0.02 0.00 0.00 34.50 32.09 1q3k s PRO 204 CO -0.10 -0.76 0.80 -2.30 -0.33 0.00 0.00 177.00 174.32 1q3k n PRO 205 N -0.79 0.90 -2.12 5.54 -0.02 -1.26 -4.84 135.00 132.41 1q3k n PRO 205 Ca 0.09 0.32 -0.41 0.00 -2.02 0.00 0.00 63.50 61.48 1q3k n PRO 205 Cb 0.48 -1.62 -0.02 0.00 -0.02 0.00 0.00 33.50 32.32 1q3k n PRO 205 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q3k s ALA 206 N -1.18 3.50 0.02 3.55 0.00 0.43 -5.00 121.76 123.08 1q3k s ALA 206 Ca 0.61 1.25 0.05 0.00 0.00 0.00 0.00 51.96 53.87 1q3k s ALA 206 Cb -0.70 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 18.92 1q3k s ALA 206 CO 0.58 -0.63 -0.14 0.99 0.00 0.00 0.00 175.76 176.56 1q3k s THR 207 N -1.08 1.14 0.06 0.00 2.01 -1.26 -4.97 115.64 111.54 1q3k s THR 207 Ca 0.49 -0.83 -0.00 0.00 0.31 0.00 0.00 61.69 61.66 1q3k s THR 207 Cb -0.40 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 1q3k s THR 207 CO 0.52 0.15 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.21 1q3k s PHE 208 N -0.61 0.58 0.96 4.92 0.40 -1.26 -5.06 117.98 117.91 1q3k s PHE 208 Ca 0.04 -0.99 -0.12 0.00 -0.60 0.00 0.00 56.93 55.26 1q3k s PHE 208 Cb -0.07 -0.40 0.16 0.00 0.51 0.00 0.00 43.02 43.22 1q3k s PHE 208 CO 0.00 -0.31 1.09 -2.14 0.70 0.00 0.00 175.22 174.56 1q3k s PRO 209 N -3.69 0.75 0.00 0.24 0.02 -1.26 -4.90 135.00 126.16 1q3k s PRO 209 Ca 0.06 0.65 0.00 0.00 0.02 0.00 0.00 61.00 61.73 1q3k s PRO 209 Cb 0.06 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.81 1q3k s PRO 209 CO -0.08 -2.54 0.45 -2.30 -0.33 0.00 0.00 177.00 172.19 1q3k n PRO 210 N -4.07 0.56 -4.07 5.54 -0.02 -1.26 -4.80 135.00 126.88 1q3k n PRO 210 Ca 0.06 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.41 1q3k n PRO 210 Cb 0.56 -1.24 -0.05 0.00 -0.02 0.00 0.00 33.50 32.75 1q3k n PRO 210 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1q3k s TYR 211 N -0.15 0.91 0.23 6.00 -0.85 -1.26 -5.18 117.35 117.05 1q3k s TYR 211 Ca 0.00 -1.17 0.11 0.00 -0.52 0.00 0.00 57.07 55.49 1q3k s TYR 211 Cb 0.00 -0.05 -0.05 0.00 0.38 0.00 0.00 41.96 42.25 1q3k s TYR 211 CO 0.00 -1.07 -0.18 -0.51 -1.52 0.00 0.00 175.55 172.27 1q3k s ASP 212 N -3.18 3.72 -0.03 -0.18 1.01 -1.26 -5.09 116.67 111.66 1q3k s ASP 212 Ca 0.29 -0.86 0.04 0.00 0.71 0.00 0.00 52.55 52.73 1q3k s ASP 212 Cb 0.00 -0.40 -0.00 0.00 1.01 0.00 0.00 42.92 43.53 1q3k s ASP 212 CO 0.17 0.08 -0.14 -0.69 0.21 0.00 0.00 175.17 174.80 1q3k s VAL 213 N -2.05 1.13 -0.01 -1.27 1.01 -1.26 -5.13 120.40 112.82 1q3k s VAL 213 Ca 0.26 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1q3k s VAL 213 Cb -0.07 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1q3k s VAL 213 CO 0.14 0.33 -0.01 -0.36 0.00 0.00 0.00 175.10 175.20 1q3k s PHE 214 N -0.01 0.13 0.56 5.22 0.40 -1.26 -3.78 117.98 119.23 1q3k s PHE 214 Ca -0.01 -0.01 -0.21 0.00 -0.60 0.00 0.00 56.93 56.10 1q3k s PHE 214 Cb -0.09 -0.12 -0.05 0.00 0.51 0.00 0.00 43.02 43.27 1q3k s PHE 214 CO 0.01 -0.02 1.28 -2.30 0.70 0.00 0.00 175.22 174.88 1q3k n PRO 215 N 3.26 1.50 -1.71 0.24 -0.02 -1.26 -5.06 135.00 131.95 1q3k n PRO 215 Ca -0.15 0.56 -0.43 0.00 -2.02 0.00 0.00 63.50 61.46 1q3k n PRO 215 Cb 0.58 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 1q3k n PRO 215 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1q3k n VAL 216 N -1.19 0.01 -3.12 -1.45 3.14 -1.25 -4.91 118.33 109.56 1q3k n VAL 216 Ca 0.11 -0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.06 1q3k n VAL 216 Cb 0.45 -1.91 -0.06 0.00 -1.06 0.00 0.00 33.84 31.26 1q3k n VAL 216 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1q3k s ASP 217 N 1.12 6.26 0.43 6.55 2.15 -1.26 -4.95 116.67 126.96 1q3k s ASP 217 Ca 0.76 -0.70 0.14 0.00 0.43 0.00 0.00 52.55 53.18 1q3k s ASP 217 Cb -0.54 -2.31 1.03 0.00 -0.30 0.00 0.00 42.92 40.80 1q3k s ASP 217 CO 0.33 -0.88 1.94 -0.65 -0.17 0.00 0.00 175.17 175.75 1q3k h PRO 218 N 8.98 0.42 -0.01 4.34 0.11 -1.95 -1.16 132.00 142.73 1q3k h PRO 218 Ca -0.27 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1q3k h PRO 218 Cb 1.09 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1q3k h PRO 218 CO 0.95 0.28 0.02 0.00 -0.21 0.00 0.00 178.00 179.04 1q3k h ALA 219 N 1.66 1.48 -0.06 -0.75 0.00 -2.00 -2.22 119.26 117.36 1q3k h ALA 219 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1q3k h ALA 219 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1q3k h ALA 219 CO -0.10 -0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.66 1q3k n ARG 220 N -3.74 1.41 -4.73 0.00 1.74 -0.44 -4.75 116.66 106.16 1q3k n ARG 220 Ca -0.03 -0.60 -0.33 0.00 -0.77 0.00 0.00 57.85 56.12 1q3k n ARG 220 Cb 0.10 -1.40 -0.12 0.00 -1.02 0.00 0.00 32.46 30.02 1q3k n ARG 220 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1q3k s THR 221 N -1.92 3.27 0.24 0.55 2.01 -0.84 -4.94 115.64 114.01 1q3k s THR 221 Ca 0.35 -0.74 -0.31 0.00 0.31 0.00 0.00 61.69 61.30 1q3k s THR 221 Cb 0.18 -2.33 -0.13 0.00 0.01 0.00 0.00 72.50 70.23 1q3k s THR 221 CO 0.28 0.53 1.45 -2.65 -0.69 0.00 0.00 174.62 173.54 1q3k n PRO 222 N 2.06 2.15 -0.31 4.92 -0.02 -1.26 -4.87 135.00 137.68 1q3k n PRO 222 Ca -0.17 0.77 0.15 0.00 -2.02 0.00 0.00 63.50 62.23 1q3k n PRO 222 Cb 0.52 -2.45 0.32 0.00 -0.02 0.00 0.00 33.50 31.88 1q3k n PRO 222 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q3k h ALA 223 N 4.41 1.38 0.00 3.55 0.00 -1.90 0.57 119.26 127.27 1q3k h ALA 223 Ca -0.45 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1q3k h ALA 223 Cb 1.27 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1q3k h ALA 223 CO 0.77 -0.51 -0.01 -1.35 0.00 0.00 0.00 179.25 178.15 1q3k h PRO 224 N 0.19 0.00 0.00 0.00 0.11 -1.93 -3.46 132.00 126.92 1q3k h PRO 224 Ca 0.59 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.70 1q3k h PRO 224 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1q3k h PRO 224 CO -0.68 0.01 0.00 0.41 -0.21 0.00 0.00 178.00 177.53 1q3k n GLY 225 N -0.97 1.99 3.89 -0.55 0.00 0.19 -3.76 105.19 105.97 1q3k n GLY 225 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1q3k n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q3k s THR 226 N -2.46 4.80 -1.13 2.61 -4.23 -1.26 -4.38 115.64 109.59 1q3k s THR 226 Ca 0.00 0.55 0.19 0.00 -1.18 0.00 0.00 61.69 61.25 1q3k s THR 226 Cb 0.00 -3.84 -0.15 0.00 1.34 0.00 0.00 72.50 69.85 1q3k s THR 226 CO 0.00 -0.89 0.84 0.18 -0.54 0.00 0.00 174.62 174.21 1q3k n LEU 227 N -2.23 1.14 -3.53 4.79 4.77 -0.87 -4.28 117.00 116.79 1q3k n LEU 227 Ca 0.03 -0.57 -0.16 0.00 -0.03 0.00 0.00 56.01 55.28 1q3k n LEU 227 Cb 0.54 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.58 1q3k n LEU 227 CO 0.53 0.25 0.52 -0.94 -1.33 0.00 0.00 177.39 176.43 1q3k s SER 228 N -2.61 -0.59 0.41 -1.43 1.04 -1.19 -0.43 113.70 108.90 1q3k s SER 228 Ca 0.10 0.61 -0.24 0.00 0.48 0.00 0.00 55.95 56.89 1q3k s SER 228 Cb 0.15 0.49 -0.09 0.00 0.10 0.00 0.00 66.02 66.67 1q3k s SER 228 CO 0.69 -0.56 1.11 -0.55 0.98 0.00 0.00 173.24 174.91 1q3k s SER 229 N -1.25 6.60 -0.20 7.02 0.15 -1.26 -3.89 113.70 120.88 1q3k s SER 229 Ca -0.08 2.19 0.15 0.00 0.70 0.00 0.00 55.95 58.90 1q3k s SER 229 Cb -0.00 -2.60 0.48 0.00 -1.71 0.00 0.00 66.02 62.19 1q3k s SER 229 CO 0.07 -0.61 1.38 0.00 1.20 0.00 0.00 173.24 175.28 1q3k n ALA 230 N -0.05 3.19 0.12 5.45 0.00 -1.26 -3.72 120.51 124.23 1q3k n ALA 230 Ca 0.05 -2.59 0.01 0.00 0.00 0.00 0.00 53.44 50.91 1q3k n ALA 230 Cb 0.48 -0.65 0.34 0.00 0.00 0.00 0.00 19.45 19.62 1q3k n ALA 230 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1q3k h LYS 231 N 1.25 0.22 -0.05 0.00 2.10 -1.93 -1.74 116.57 116.43 1q3k h LYS 231 Ca 0.05 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1q3k h LYS 231 Cb 1.41 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.71 1q3k h LYS 231 CO 0.22 0.44 0.00 0.25 -2.00 0.00 0.00 179.45 178.36 1q3k n THR 232 N -4.20 0.06 -2.39 0.07 -2.24 -1.26 -4.86 114.28 99.47 1q3k n THR 232 Ca -0.01 -0.07 -0.41 0.00 -2.27 0.00 0.00 64.05 61.29 1q3k n THR 232 Cb 0.33 -0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.47 1q3k n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1q3k s ALA 233 N -1.94 3.43 0.04 6.98 0.00 -0.65 -5.03 121.76 124.58 1q3k s ALA 233 Ca 0.15 0.94 -0.00 0.00 0.00 0.00 0.00 51.96 53.05 1q3k s ALA 233 Cb 0.07 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 1q3k s ALA 233 CO 0.12 -0.35 -0.04 -1.54 0.00 0.00 0.00 175.76 173.95 1q3k s SER 234 N 0.06 0.43 0.31 0.00 1.04 -1.26 -4.90 113.70 109.38 1q3k s SER 234 Ca 0.52 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 56.24 1q3k s SER 234 Cb -0.32 0.13 0.51 0.00 0.10 0.00 0.00 66.02 66.44 1q3k s SER 234 CO 0.37 -0.42 1.89 -0.09 0.98 0.00 0.00 173.24 175.97 1q3k h ARG 235 N 3.97 0.78 -0.69 4.02 2.43 -1.88 -1.89 114.38 121.12 1q3k h ARG 235 Ca -0.33 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 58.75 1q3k h ARG 235 Cb 1.18 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.55 1q3k h ARG 235 CO 0.52 0.65 0.42 0.93 -1.51 0.00 0.00 179.97 180.98 1q3k h GLU 236 N 0.77 0.78 -0.50 0.20 3.07 -1.95 0.25 114.58 117.19 1q3k h GLU 236 Ca 0.18 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.96 1q3k h GLU 236 Cb 0.17 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1q3k h GLU 236 CO -0.02 0.52 0.18 0.87 -1.40 0.00 0.00 179.01 179.16 1q3k h LYS 237 N 0.81 0.77 -0.89 2.33 1.57 -1.75 -2.32 116.57 117.08 1q3k h LYS 237 Ca 0.29 -0.15 0.08 0.00 -1.87 0.00 0.00 60.65 58.99 1q3k h LYS 237 Cb 0.07 -0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.19 1q3k h LYS 237 CO -0.13 0.70 0.55 0.78 -0.57 0.00 0.00 179.45 180.78 1q3k h GLY 238 N 0.68 1.38 1.15 3.86 0.00 -0.28 -0.48 103.07 109.39 1q3k h GLY 238 Ca 0.17 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 1q3k h GLY 238 CO -0.01 0.22 0.04 0.83 0.00 0.00 0.00 176.54 177.63 1q3k h GLU 239 N 0.96 1.03 -0.23 4.80 4.39 -0.39 0.05 114.58 125.19 1q3k h GLU 239 Ca 0.41 -0.29 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 1q3k h GLU 239 Cb 0.27 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1q3k h GLU 239 CO -0.21 0.98 0.01 1.25 -1.16 0.00 0.00 179.01 179.88 1q3k h LEU 240 N 0.95 0.38 0.00 1.33 5.85 -0.74 -2.53 115.31 120.56 1q3k h LEU 240 Ca 0.18 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1q3k h LEU 240 Cb 0.49 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1q3k h LEU 240 CO 0.02 0.58 -0.08 0.40 -0.34 0.00 0.00 178.44 179.02 1q3k h ILE 241 N 0.17 0.79 -0.20 4.05 2.04 -0.92 -1.45 117.51 121.99 1q3k h ILE 241 Ca 0.07 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.98 1q3k h ILE 241 Cb 0.38 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 1q3k h ILE 241 CO 0.01 0.00 -0.24 0.25 0.00 0.00 0.00 178.15 178.17 1q3k h LEU 242 N -0.15 -0.77 -0.03 1.44 5.85 -0.95 0.82 115.31 121.53 1q3k h LEU 242 Ca 0.03 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1q3k h LEU 242 Cb 0.18 0.36 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 1q3k h LEU 242 CO -0.08 -0.28 0.02 -0.33 -0.34 0.00 0.00 178.44 177.42 1q3k h GLU 243 N -0.27 0.03 -0.47 1.25 4.39 -1.31 0.26 114.58 118.46 1q3k h GLU 243 Ca 0.12 -0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.91 1q3k h GLU 243 Cb 0.46 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.02 1q3k h GLU 243 CO -0.36 0.06 -0.03 0.28 -1.16 0.00 0.00 179.01 177.81 1q3k h VAL 244 N -0.00 0.61 0.23 3.13 2.07 -0.77 0.38 116.25 121.90 1q3k h VAL 244 Ca 0.01 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1q3k h VAL 244 Cb 0.04 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1q3k h VAL 244 CO -0.00 0.02 -0.11 0.00 0.02 0.00 0.00 177.57 177.49 1q3k h VAL 246 N -0.54 1.09 -0.03 0.00 2.07 -0.69 0.02 116.25 118.17 1q3k h VAL 246 Ca -0.03 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1q3k h VAL 246 Cb 0.40 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1q3k h VAL 246 CO 0.05 0.17 -0.03 -0.61 0.02 0.00 0.00 177.57 177.18 1q3k h GLN 247 N 0.96 0.07 -0.79 1.57 5.75 -0.91 -0.76 115.11 121.00 1q3k h GLN 247 Ca 0.33 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.79 1q3k h GLN 247 Cb 0.07 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.58 1q3k h GLN 247 CO -0.13 0.54 0.49 0.78 -2.65 0.00 0.00 178.83 177.86 1q3k h GLY 248 N -0.41 1.14 1.16 2.39 0.00 -1.04 -1.02 103.07 105.29 1q3k h GLY 248 Ca 0.00 -0.46 -0.16 0.00 0.00 0.00 0.00 47.33 46.71 1q3k h GLY 248 CO 0.01 0.45 -0.40 -2.22 0.00 0.00 0.00 176.54 174.38 1q3k h ILE 249 N 1.08 1.27 -0.76 2.60 2.04 -1.01 -1.20 117.51 121.53 1q3k h ILE 249 Ca 0.29 -1.58 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 1q3k h ILE 249 Cb -0.06 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1q3k h ILE 249 CO -0.06 0.53 0.45 0.00 0.00 0.00 0.00 178.15 179.07 1q3k h ALA 250 N 0.79 0.97 -0.50 1.87 0.00 -0.80 -1.17 119.26 120.42 1q3k h ALA 250 Ca 0.06 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1q3k h ALA 250 Cb 0.99 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1q3k h ALA 250 CO 0.10 0.45 -0.19 -0.44 0.00 0.00 0.00 179.25 179.17 1q3k h ASP 251 N 1.04 1.03 -0.58 0.00 3.32 -1.05 -2.06 116.42 118.13 1q3k h ASP 251 Ca 0.27 -0.38 0.02 0.00 0.02 0.00 0.00 57.03 56.96 1q3k h ASP 251 Cb -0.02 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.22 1q3k h ASP 251 CO -0.05 1.18 0.36 0.00 -1.72 0.00 0.00 179.24 179.01 1q3k h ALA 252 N 0.88 0.75 -0.34 3.45 0.00 -0.89 -1.29 119.26 121.81 1q3k h ALA 252 Ca 0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1q3k h ALA 252 Cb 0.77 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1q3k h ALA 252 CO 0.06 0.10 -0.02 0.82 0.00 0.00 0.00 179.25 180.21 1q3k h ILE 253 N 0.72 1.21 -0.47 0.00 2.04 -1.06 0.13 117.51 120.08 1q3k h ILE 253 Ca 0.23 -0.84 -0.08 0.00 1.00 0.00 0.00 64.86 65.17 1q3k h ILE 253 Cb -0.01 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1q3k h ILE 253 CO -0.09 0.29 -0.03 1.23 0.00 0.00 0.00 178.15 179.55 1q3k h GLY 254 N 0.86 0.86 0.63 5.37 0.00 -0.57 0.27 103.07 110.49 1q3k h GLY 254 Ca 0.11 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1q3k h GLY 254 CO 0.01 0.55 -0.05 1.46 0.00 0.00 0.00 176.54 178.51 1q3k h GLN 255 N 0.74 -0.14 -0.00 4.80 1.08 -0.32 -2.94 115.11 118.32 1q3k h GLN 255 Ca 0.14 0.01 -0.18 0.00 -1.45 0.00 0.00 58.65 57.17 1q3k h GLN 255 Cb 0.49 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 1q3k h GLN 255 CO 0.02 0.22 -0.82 0.93 -0.95 0.00 0.00 178.83 178.23 1q3k h GLU 256 N -0.52 0.10 -2.22 1.46 4.39 -0.98 -3.36 114.58 113.44 1q3k h GLU 256 Ca -0.02 -0.11 -0.59 0.00 0.34 0.00 0.00 59.36 58.99 1q3k h GLU 256 Cb 0.42 0.03 -0.42 0.00 -0.10 0.00 0.00 28.75 28.69 1q3k h GLU 256 CO 0.02 0.87 -0.67 1.19 -1.16 0.00 0.00 179.01 179.26 1q3k n PHE 257 N -3.64 3.52 -1.71 4.33 0.99 0.96 -5.07 117.46 116.83 1q3k n PHE 257 Ca -0.02 -4.03 -0.42 0.00 -0.00 0.00 0.00 57.45 52.98 1q3k n PHE 257 Cb 0.78 -0.51 -0.03 0.00 -1.00 0.00 0.00 39.48 38.72 1q3k n PHE 257 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1q3k n PRO 258 N 0.24 2.79 -1.66 -1.08 -0.02 -1.11 -4.70 135.00 129.46 1q3k n PRO 258 Ca 0.30 1.01 -0.44 0.00 -2.02 0.00 0.00 63.50 62.34 1q3k n PRO 258 Cb 0.42 -2.86 -0.02 0.00 -0.02 0.00 0.00 33.50 31.02 1q3k n PRO 258 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1q3k n PRO 259 N 4.27 1.86 0.00 0.52 -0.02 -1.26 -5.06 135.00 135.31 1q3k n PRO 259 Ca 0.16 0.66 0.12 0.00 -2.02 0.00 0.00 63.50 62.42 1q3k n PRO 259 Cb 0.35 -2.22 0.16 0.00 -0.02 0.00 0.00 33.50 31.77 1q3k n PRO 259 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89