#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 0.89 -2.78 -1.46 4.76 -1.26 -4.94 118.16 113.38 1q3k n LYS 3 Ca 0.00 -1.80 -0.35 0.00 -2.87 0.00 0.00 58.31 53.29 1q3k n LYS 3 Cb 0.00 -3.28 -0.06 0.00 -1.84 0.00 0.00 35.03 29.85 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 6.64 7.04 0.00 4.39 0.15 -1.26 -4.96 113.70 125.69 1q3k s SER 4 Ca 0.68 1.77 0.26 0.00 0.70 0.00 0.00 55.95 59.36 1q3k s SER 4 Cb 0.06 -2.56 0.63 0.00 -1.71 0.00 0.00 66.02 62.44 1q3k s SER 4 CO 0.19 -0.29 1.49 1.33 1.20 0.00 0.00 173.24 177.16 1q3k n VAL 5 N -0.21 0.00 -3.06 4.45 0.24 -1.26 -4.86 118.33 113.63 1q3k n VAL 5 Ca 0.05 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.34 61.88 1q3k n VAL 5 Cb 0.52 0.32 -0.06 0.00 -1.47 0.00 0.00 33.84 33.15 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 -2.76 3.22 0.39 6.34 0.40 -1.26 0.22 117.98 124.53 1q3k s PHE 6 Ca 0.17 0.68 0.16 0.00 -0.60 0.00 0.00 56.93 57.34 1q3k s PHE 6 Cb 0.18 -3.04 1.03 0.00 0.51 0.00 0.00 43.02 41.70 1q3k s PHE 6 CO 0.61 -0.48 1.82 0.28 0.70 0.00 0.00 175.22 178.15 1q3k h VAL 7 N 5.54 0.64 0.00 -0.44 2.07 -1.34 0.23 116.25 122.96 1q3k h VAL 7 Ca -0.26 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1q3k h VAL 7 Cb 1.11 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1q3k h VAL 7 CO 0.82 0.09 -0.02 1.23 0.02 0.00 0.00 177.57 179.71 1q3k h GLY 8 N 0.47 0.00 -2.15 2.17 0.00 -1.93 -2.21 103.07 99.42 1q3k h GLY 8 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1q3k h GLY 8 CO -0.24 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.48 1q3k n GLU 9 N -3.23 2.43 -3.87 4.80 1.02 0.07 -4.93 120.64 116.92 1q3k n GLU 9 Ca -0.02 -2.15 -0.21 0.00 -0.02 0.00 0.00 57.16 54.76 1q3k n GLU 9 Cb 0.16 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.04 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 -1.60 3.78 0.67 -4.62 1.43 -0.83 -4.94 118.68 112.55 1q3k s LEU 10 Ca 0.36 -0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 53.07 1q3k s LEU 10 Cb 0.22 -2.38 0.05 0.00 0.03 0.00 0.00 46.19 44.11 1q3k s LEU 10 CO 0.31 -0.24 0.97 0.42 0.23 0.00 0.00 176.35 178.04 1q3k s THR 11 N -2.21 2.59 0.33 5.49 -4.23 -1.26 -4.95 115.64 111.41 1q3k s THR 11 Ca 0.38 -0.25 0.08 0.00 -1.18 0.00 0.00 61.69 60.73 1q3k s THR 11 Cb -0.07 -3.09 0.08 0.00 1.34 0.00 0.00 72.50 70.75 1q3k s THR 11 CO 0.27 -0.10 1.78 4.11 -0.54 0.00 0.00 174.62 180.14 1q3k h TRP 12 N -0.45 0.23 -0.55 3.99 5.08 -1.99 -2.77 115.95 119.47 1q3k h TRP 12 Ca -0.44 -0.05 -0.11 0.00 1.08 0.00 0.00 58.89 59.37 1q3k h TRP 12 Cb 1.30 -0.05 -0.02 0.00 -3.00 0.00 0.00 29.16 27.39 1q3k h TRP 12 CO 0.37 0.51 -0.08 0.87 -1.28 0.00 0.00 178.44 178.83 1q3k h LYS 13 N 0.18 1.03 -0.73 0.12 1.79 -1.99 0.19 116.57 117.16 1q3k h LYS 13 Ca 0.02 -0.37 -0.03 0.00 -2.18 0.00 0.00 60.65 58.09 1q3k h LYS 13 Cb 0.67 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.22 1q3k h LYS 13 CO 0.05 1.06 0.33 0.93 -1.08 0.00 0.00 179.45 180.74 1q3k h GLU 14 N 0.91 1.07 -0.28 3.15 5.08 -1.92 -1.37 114.58 121.22 1q3k h GLU 14 Ca 0.15 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1q3k h GLU 14 Cb 0.65 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1q3k h GLU 14 CO 0.04 0.85 0.02 -0.92 -1.00 0.00 0.00 179.01 178.00 1q3k h TYR 15 N 1.04 0.53 -0.98 4.33 3.20 -1.19 -2.21 116.97 121.68 1q3k h TYR 15 Ca 0.25 -0.09 0.07 0.00 3.14 0.00 0.00 58.73 62.10 1q3k h TYR 15 Cb 0.15 -0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.21 1q3k h TYR 15 CO 0.01 0.62 0.64 1.49 -1.64 0.00 0.00 178.16 179.28 1q3k h GLU 16 N 0.29 1.10 -0.24 1.82 4.81 -0.43 -0.74 114.58 121.18 1q3k h GLU 16 Ca 0.08 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1q3k h GLU 16 Cb 0.40 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1q3k h GLU 16 CO 0.01 0.73 0.04 0.00 -0.73 0.00 0.00 179.01 179.06 1q3k h ALA 17 N 1.47 0.32 -0.64 2.92 0.00 -1.12 0.27 119.26 122.49 1q3k h ALA 17 Ca 0.43 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1q3k h ALA 17 Cb 0.19 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1q3k h ALA 17 CO -0.17 0.00 0.42 0.00 0.00 0.00 0.00 179.25 179.51 1q3k h ARG 18 N 0.21 0.76 0.04 0.00 2.47 -0.75 -0.81 114.38 116.29 1q3k h ARG 18 Ca 0.07 -0.05 -0.24 0.00 -1.26 0.00 0.00 59.98 58.51 1q3k h ARG 18 Cb 0.33 -0.17 0.02 0.00 -1.65 0.00 0.00 29.97 28.50 1q3k h ARG 18 CO 0.00 0.50 -0.94 0.28 0.56 0.00 0.00 179.97 180.37 1q3k h VAL 19 N 0.78 1.34 0.00 2.04 2.07 -0.89 -3.23 116.25 118.36 1q3k h VAL 19 Ca 0.25 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.51 1q3k h VAL 19 Cb 0.04 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1q3k h VAL 19 CO -0.07 0.68 0.00 0.00 0.02 0.00 0.00 177.57 178.20 1q3k h ALA 20 N 0.33 1.00 0.00 1.67 0.00 -0.51 -2.56 119.26 119.19 1q3k h ALA 20 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1q3k h ALA 20 Cb 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1q3k h ALA 20 CO 0.18 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.43 1q3k n ALA 21 N -1.89 1.74 0.00 0.00 0.00 -0.35 -4.99 120.51 115.02 1q3k n ALA 21 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1q3k n ALA 21 Cb 0.25 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 0.17 0.19 4.24 0.00 0.00 -0.96 -4.94 105.19 103.89 1q3k n GLY 22 Ca 0.03 -1.56 -0.39 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.59 -1.65 -4.72 1.61 5.68 -1.26 -4.92 116.55 110.70 1q3k n ASP 23 Ca 0.00 -1.12 -0.42 0.00 -0.50 0.00 0.00 54.79 52.76 1q3k n ASP 23 Cb 0.00 -1.44 -0.03 0.00 -1.14 0.00 0.00 41.12 38.51 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 0.83 4.89 -0.01 0.00 1.01 -1.26 -4.27 120.40 121.60 1q3k s VAL 25 Ca 0.58 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1q3k s VAL 25 Cb -0.31 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1q3k s VAL 25 CO 0.31 0.42 0.05 -0.76 0.00 0.00 0.00 175.10 175.12 1q3k s LEU 26 N 0.66 3.77 -0.10 3.92 2.01 -0.24 -1.91 118.68 126.78 1q3k s LEU 26 Ca 0.05 0.10 0.02 0.00 0.01 0.00 0.00 54.13 54.31 1q3k s LEU 26 Cb -0.13 -2.16 0.01 0.00 0.01 0.00 0.00 46.19 43.92 1q3k s LEU 26 CO 0.01 0.28 -0.16 -0.04 1.01 0.00 0.00 176.35 177.46 1q3k s MET 27 N -1.63 2.25 -0.28 1.70 -1.94 0.21 -0.14 119.30 119.47 1q3k s MET 27 Ca 0.21 -0.58 0.00 0.00 -1.71 0.00 0.00 55.69 53.62 1q3k s MET 27 Cb -0.12 -1.88 0.05 0.00 2.01 0.00 0.00 34.83 34.89 1q3k s MET 27 CO 0.12 -0.03 -0.05 -1.17 -0.01 0.00 0.00 175.02 173.88 1q3k s LEU 28 N 0.90 3.64 0.17 -0.03 2.96 -0.03 0.14 118.68 126.43 1q3k s LEU 28 Ca -0.08 -1.27 -0.30 0.00 -0.22 0.00 0.00 54.13 52.26 1q3k s LEU 28 Cb -0.15 -1.64 -0.07 0.00 0.50 0.00 0.00 46.19 44.82 1q3k s LEU 28 CO -0.00 -0.22 1.13 -2.84 -1.32 0.00 0.00 176.35 173.10 1q3k s PRO 29 N 1.20 4.56 -0.21 0.98 0.02 -1.26 -1.27 135.00 139.01 1q3k s PRO 29 Ca -0.06 1.75 0.01 0.00 0.02 0.00 0.00 61.00 62.71 1q3k s PRO 29 Cb -0.19 -3.28 0.05 0.00 0.02 0.00 0.00 34.50 31.10 1q3k s PRO 29 CO -0.03 0.01 -0.07 0.08 -0.33 0.00 0.00 177.00 176.67 1q3k s VAL 30 N -0.07 1.49 0.00 3.83 1.01 0.09 -0.80 120.40 125.95 1q3k s VAL 30 Ca 0.51 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1q3k s VAL 30 Cb -0.30 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.38 1q3k s VAL 30 CO 0.35 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1q3k n GLY 31 N 4.71 3.94 3.61 4.51 0.00 -0.27 -0.51 105.19 121.17 1q3k n GLY 31 Ca -0.13 -0.73 -0.02 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.10 -0.45 4.61 0.00 -1.21 -3.02 121.76 117.59 1q3k s ALA 32 Ca 0.00 1.04 -0.01 0.00 0.00 0.00 0.00 51.96 52.99 1q3k s ALA 32 Cb 0.00 0.19 0.12 0.00 0.00 0.00 0.00 23.12 23.43 1q3k s ALA 32 CO 0.00 -0.84 0.23 -1.17 0.00 0.00 0.00 175.76 173.97 1q3k s LEU 33 N -2.62 5.06 0.03 0.00 2.96 -1.05 -4.08 118.68 118.98 1q3k s LEU 33 Ca 0.11 -2.33 0.01 0.00 -0.22 0.00 0.00 54.13 51.71 1q3k s LEU 33 Cb 0.02 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 1q3k s LEU 33 CO -0.04 -0.44 -0.05 -0.70 -1.32 0.00 0.00 176.35 173.79 1q3k s GLU 34 N 0.70 0.41 0.29 1.98 2.12 -0.30 -0.64 118.70 123.26 1q3k s GLU 34 Ca 0.11 -0.66 -0.30 0.00 0.36 0.00 0.00 54.97 54.48 1q3k s GLU 34 Cb -0.22 -0.10 -0.11 0.00 0.26 0.00 0.00 34.13 33.96 1q3k s GLU 34 CO -0.04 0.00 1.57 1.14 -0.54 0.00 0.00 175.26 177.39 1q3k s GLN 35 N -1.46 4.15 -0.35 4.30 1.03 -1.26 -4.27 119.66 121.79 1q3k s GLN 35 Ca -0.12 2.53 0.11 0.00 0.04 0.00 0.00 55.36 57.92 1q3k s GLN 35 Cb -0.10 -3.04 0.45 0.00 0.03 0.00 0.00 33.01 30.36 1q3k s GLN 35 CO -0.00 -0.60 1.09 0.72 -2.54 0.00 0.00 175.29 173.96 1q3k n HIS 36 N 2.20 2.44 -3.93 9.60 8.25 -1.26 -4.96 115.22 127.56 1q3k n HIS 36 Ca 0.08 -2.70 0.00 0.00 -0.26 0.00 0.00 57.72 54.84 1q3k n HIS 36 Cb 0.38 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.26 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 -0.45 -2.07 0.10 -1.41 0.00 -1.24 -3.73 105.19 96.38 1q3k n GLY 37 Ca 0.29 -1.44 0.13 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 0.00 0.41 1.61 8.25 -1.26 -4.20 115.22 120.03 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 0.00 -0.23 -0.11 0.00 1.12 0.00 0.00 29.99 30.77 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 -1.12 0.00 -4.35 4.41 1.44 -1.26 -4.79 115.22 109.55 1q3k n HIS 39 Ca 0.10 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.63 1q3k n HIS 39 Cb 0.32 -0.17 -0.10 0.00 0.12 0.00 0.00 29.99 30.16 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 -2.77 1.34 1.11 -1.40 1.00 -1.24 -0.99 119.30 116.35 1q3k s MET 40 Ca 0.01 -1.61 -0.18 0.00 0.00 0.00 0.00 55.69 53.91 1q3k s MET 40 Cb 0.11 -1.10 0.25 0.00 0.00 0.00 0.00 34.83 34.09 1q3k s MET 40 CO 0.66 0.16 1.18 0.00 0.00 0.00 0.00 175.02 177.02 1q3k n MET 42 N -4.40 0.52 -0.21 0.00 0.00 -1.26 -4.28 117.12 107.49 1q3k n MET 42 Ca 0.13 -0.41 0.06 0.00 0.00 0.00 0.00 57.70 57.48 1q3k n MET 42 Cb 0.59 -1.49 0.17 0.00 0.00 0.00 0.00 33.22 32.49 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 -0.88 2.14 -0.31 7.83 0.23 -1.26 -1.16 115.26 121.84 1q3k n ASN 43 Ca 0.07 -2.03 -0.04 0.00 -0.53 0.00 0.00 54.58 52.05 1q3k n ASN 43 Cb 0.38 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 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 2.24 0.05 0.00 3.53 2.07 -1.81 0.22 116.25 122.55 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 0.56 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1q3k h VAL 44 CO 0.01 0.00 0.01 0.44 0.02 0.00 0.00 177.57 178.05 1q3k h ASP 45 N -0.08 0.00 0.04 0.57 5.19 -1.79 -0.40 116.42 119.94 1q3k h ASP 45 Ca 0.27 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.34 1q3k h ASP 45 Cb 0.56 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.03 1q3k h ASP 45 CO -0.86 0.00 -1.92 0.52 -3.12 0.00 0.00 179.24 173.86 1q3k n VAL 46 N -2.37 1.60 -0.04 -1.35 0.31 0.64 -4.07 118.33 113.05 1q3k n VAL 46 Ca -0.02 -0.36 -0.08 0.00 -0.01 0.00 0.00 64.34 63.87 1q3k n VAL 46 Cb 0.05 -1.83 -0.03 0.00 -0.91 0.00 0.00 33.84 31.12 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 -0.55 -0.17 0.79 7.52 3.38 -0.59 -1.19 115.31 124.50 1q3k h LEU 47 Ca -0.48 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.51 1q3k h LEU 47 Cb 1.66 0.12 0.01 0.00 0.09 0.00 0.00 40.66 42.54 1q3k h LEU 47 CO -0.16 -0.06 -0.38 -0.07 0.09 0.00 0.00 178.44 177.87 1q3k h LEU 48 N 0.02 -0.89 -1.65 1.67 3.38 -1.32 0.60 115.31 117.11 1q3k h LEU 48 Ca 0.10 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1q3k h LEU 48 Cb 0.15 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1q3k h LEU 48 CO -0.20 -0.63 -0.20 1.55 0.09 0.00 0.00 178.44 179.05 1q3k h PRO 49 N -1.07 0.00 -0.51 1.13 0.13 -1.73 -1.40 132.00 128.54 1q3k h PRO 49 Ca -0.11 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.92 1q3k h PRO 49 Cb 0.81 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.93 1q3k h PRO 49 CO 0.18 0.20 -0.10 1.15 -0.23 0.00 0.00 178.00 179.20 1q3k h THR 50 N 0.00 1.27 -0.29 1.56 2.02 -0.90 -1.33 112.91 115.24 1q3k h THR 50 Ca -0.00 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 65.91 1q3k h THR 50 Cb 0.40 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1q3k h THR 50 CO 0.03 0.43 0.08 0.00 0.37 0.00 0.00 175.52 176.43 1q3k h ALA 51 N 0.91 0.38 -0.81 6.16 0.00 -0.06 -1.07 119.26 124.77 1q3k h ALA 51 Ca 0.13 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1q3k h ALA 51 Cb 0.66 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1q3k h ALA 51 CO 0.05 0.02 0.53 0.28 0.00 0.00 0.00 179.25 180.13 1q3k h VAL 52 N 0.30 1.17 -0.41 0.00 2.07 -1.17 -2.30 116.25 115.92 1q3k h VAL 52 Ca 0.09 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1q3k h VAL 52 Cb 0.26 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1q3k h VAL 52 CO -0.00 0.19 0.23 0.00 0.02 0.00 0.00 177.57 178.01 1q3k h GLN 54 N 0.53 0.38 -0.40 0.00 4.15 -0.78 0.12 115.11 119.10 1q3k h GLN 54 Ca 0.14 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.40 1q3k h GLN 54 Cb 0.05 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1q3k h GLN 54 CO -0.02 0.25 -0.31 0.00 -1.93 0.00 0.00 178.83 176.82 1q3k h ARG 55 N 0.39 0.91 -0.07 1.69 3.08 -0.99 -1.17 114.38 118.23 1q3k h ARG 55 Ca 0.16 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1q3k h ARG 55 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1q3k h ARG 55 CO -0.10 1.11 0.05 0.28 -1.07 0.00 0.00 179.97 180.23 1q3k h VAL 56 N 0.73 1.03 -0.96 2.04 2.07 -0.83 -2.12 116.25 118.21 1q3k h VAL 56 Ca 0.07 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.61 1q3k h VAL 56 Cb 0.90 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 1q3k h VAL 56 CO 0.08 0.02 0.62 0.00 0.02 0.00 0.00 177.57 178.32 1q3k h ALA 57 N 1.02 1.46 -0.57 1.67 0.00 -0.65 0.64 119.26 122.83 1q3k h ALA 57 Ca 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1q3k h ALA 57 Cb -0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1q3k h ALA 57 CO -0.01 0.39 0.14 0.93 0.00 0.00 0.00 179.25 180.70 1q3k h GLU 58 N 1.10 0.89 -0.02 0.00 5.08 -0.91 0.46 114.58 121.19 1q3k h GLU 58 Ca 0.42 -0.19 -0.26 0.00 -1.00 0.00 0.00 59.36 58.34 1q3k h GLU 58 Cb 0.20 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.34 1q3k h GLU 58 CO -0.17 0.79 -1.00 0.00 -1.00 0.00 0.00 179.01 177.64 1q3k h ARG 59 N 0.85 0.67 -0.10 2.33 2.47 -0.29 -3.34 114.38 116.97 1q3k h ARG 59 Ca 0.19 -0.69 0.00 0.00 -1.26 0.00 0.00 59.98 58.21 1q3k h ARG 59 Cb 0.31 0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 1q3k h ARG 59 CO -0.00 1.28 0.00 0.44 0.56 0.00 0.00 179.97 182.25 1q3k n ILE 60 N -3.85 0.18 -2.82 2.04 -5.35 -0.11 -5.00 119.36 104.45 1q3k n ILE 60 Ca -0.10 -0.59 -0.09 0.00 -0.27 0.00 0.00 62.75 61.71 1q3k n ILE 60 Cb 0.86 1.17 0.03 0.00 -1.74 0.00 0.00 39.64 39.97 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 0.86 0.26 3.91 3.28 0.00 0.15 -5.02 105.19 108.63 1q3k n GLY 61 Ca 0.10 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.14 4.20 0.04 4.61 0.00 -0.19 -4.76 121.76 122.52 1q3k s ALA 62 Ca 0.16 -1.83 0.05 0.00 0.00 0.00 0.00 51.96 50.35 1q3k s ALA 62 Cb -0.07 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 1q3k s ALA 62 CO 0.30 -0.25 -0.11 -0.51 0.00 0.00 0.00 175.76 175.18 1q3k s LEU 63 N -4.20 2.95 -0.12 0.00 1.43 -0.80 -4.63 118.68 113.30 1q3k s LEU 63 Ca 0.50 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1q3k s LEU 63 Cb -0.05 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1q3k s LEU 63 CO 0.29 0.25 -0.15 -0.69 0.23 0.00 0.00 176.35 176.28 1q3k s VAL 64 N -1.03 2.83 0.63 -1.59 1.01 0.13 -0.62 120.40 121.77 1q3k s VAL 64 Ca 0.17 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 1q3k s VAL 64 Cb -0.11 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 1q3k s VAL 64 CO 0.08 0.53 0.99 -0.76 0.00 0.00 0.00 175.10 175.95 1q3k s LEU 65 N 0.37 3.15 0.29 3.92 1.43 0.12 -0.87 118.68 127.08 1q3k s LEU 65 Ca -0.12 1.06 -0.30 0.00 -1.03 0.00 0.00 54.13 53.74 1q3k s LEU 65 Cb -0.16 -3.94 -0.11 0.00 0.03 0.00 0.00 46.19 42.00 1q3k s LEU 65 CO 0.06 -1.07 1.62 -2.84 0.23 0.00 0.00 176.35 174.35 1q3k s PRO 66 N -5.15 4.11 0.47 1.29 0.02 -1.26 -4.56 135.00 129.92 1q3k s PRO 66 Ca 0.55 2.60 -0.20 0.00 0.02 0.00 0.00 61.00 63.96 1q3k s PRO 66 Cb -0.11 -3.02 -0.09 0.00 0.02 0.00 0.00 34.50 31.30 1q3k s PRO 66 CO 0.50 -0.66 1.01 0.20 -0.33 0.00 0.00 177.00 177.72 1q3k s GLY 67 N 0.58 2.48 -0.32 0.52 0.00 -1.26 -4.71 107.32 104.60 1q3k s GLY 67 Ca 0.65 0.55 -0.29 0.00 0.00 0.00 0.00 44.72 45.63 1q3k s GLY 67 CO 0.46 0.86 1.58 1.08 0.00 0.00 0.00 173.10 177.08 1q3k s LEU 68 N -3.40 3.67 0.24 0.66 1.43 0.02 -4.87 118.68 116.42 1q3k s LEU 68 Ca 0.66 1.23 0.11 0.00 -1.03 0.00 0.00 54.13 55.10 1q3k s LEU 68 Cb -0.14 -3.53 0.19 0.00 0.03 0.00 0.00 46.19 42.73 1q3k s LEU 68 CO 0.18 -1.44 1.51 1.56 0.23 0.00 0.00 176.35 178.39 1q3k h GLN 69 N 11.25 0.00 -5.27 1.70 1.08 -1.89 -0.71 115.11 121.27 1q3k h GLN 69 Ca -0.31 0.00 -0.66 0.00 -1.45 0.00 0.00 58.65 56.23 1q3k h GLN 69 Cb 1.14 0.00 -0.28 0.00 -0.05 0.00 0.00 27.48 28.29 1q3k h GLN 69 CO 1.04 0.70 -0.77 0.71 -0.95 0.00 0.00 178.83 179.55 1q3k s TYR 70 N -3.25 2.80 0.13 2.96 1.51 -1.26 -2.53 117.35 117.70 1q3k s TYR 70 Ca 0.00 -0.76 0.00 0.00 -1.01 0.00 0.00 57.07 55.31 1q3k s TYR 70 Cb 0.11 -1.86 0.00 0.00 -0.11 0.00 0.00 41.96 40.10 1q3k s TYR 70 CO 0.77 -0.29 0.02 0.41 -1.11 0.00 0.00 175.55 175.34 1q3k n GLY 71 N 3.71 3.85 3.61 0.71 0.00 -1.17 -4.76 105.19 111.14 1q3k n GLY 71 Ca -0.18 -2.24 -0.29 0.00 0.00 0.00 0.00 46.02 43.30 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 -1.30 1.76 0.15 1.61 5.04 -1.26 -1.22 117.35 122.13 1q3k s TYR 72 Ca 0.01 1.29 -0.34 0.00 -2.44 0.00 0.00 57.07 55.59 1q3k s TYR 72 Cb -0.00 -3.18 -0.14 0.00 0.35 0.00 0.00 41.96 38.99 1q3k s TYR 72 CO 0.01 -3.15 1.59 1.63 -1.34 0.00 0.00 175.55 174.29 1q3k n LYS 73 N -4.42 2.15 -1.83 4.97 5.02 -1.24 -4.68 118.16 118.13 1q3k n LYS 73 Ca 0.06 0.77 -0.42 0.00 -2.02 0.00 0.00 58.31 56.71 1q3k n LYS 73 Cb 0.54 -2.55 -0.03 0.00 -0.02 0.00 0.00 35.03 32.98 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 1.04 6.48 -0.08 4.39 0.15 -1.26 -4.89 113.70 119.51 1q3k s SER 74 Ca 0.79 2.77 -0.05 0.00 0.70 0.00 0.00 55.95 60.16 1q3k s SER 74 Cb -0.68 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 60.99 1q3k s SER 74 CO 0.38 -0.89 0.11 -1.10 1.20 0.00 0.00 173.24 172.94 1q3k s GLN 75 N 0.90 3.31 0.16 5.44 -1.52 -1.26 -2.30 119.66 124.38 1q3k s GLN 75 Ca 0.71 -0.26 -0.26 0.00 -1.95 0.00 0.00 55.36 53.61 1q3k s GLN 75 Cb -0.47 -3.06 0.03 0.00 -0.22 0.00 0.00 33.01 29.29 1q3k s GLN 75 CO 0.34 0.73 1.58 0.37 -0.25 0.00 0.00 175.29 178.06 1q3k h GLN 76 N 4.73 -0.27 -0.34 2.91 4.15 -1.91 0.50 115.11 124.88 1q3k h GLN 76 Ca -0.53 0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.91 1q3k h GLN 76 Cb 1.21 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.96 1q3k h GLN 76 CO 0.59 -0.18 0.00 1.63 -1.93 0.00 0.00 178.83 178.95 1q3k n LYS 77 N -5.41 0.75 0.00 1.69 5.02 -1.26 -1.96 118.16 116.98 1q3k n LYS 77 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1q3k n LYS 77 Cb 0.35 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 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 -0.22 0.00 0.00 4.39 3.41 -0.67 -4.59 113.62 115.94 1q3k n SER 78 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1q3k n SER 78 Cb 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 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 0.00 -0.70 0.00 5.00 0.00 0.17 -4.62 105.19 105.04 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 0.00 3.07 0.00 -0.02 0.00 -0.83 -4.81 105.19 102.60 1q3k n GLY 80 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 3.69 0.66 -0.02 0.00 -1.23 -4.34 105.19 103.94 1q3k n GLY 81 Ca 0.00 -1.62 0.03 0.00 0.00 0.00 0.00 46.02 44.43 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 1.80 -0.00 1.61 2.85 -0.97 -3.29 115.26 117.25 1q3k n ASN 82 Ca 0.00 -2.13 0.12 0.00 -0.11 0.00 0.00 54.58 52.46 1q3k n ASN 82 Cb 0.00 -0.34 0.28 0.00 1.24 0.00 0.00 39.78 40.96 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 0.18 0.00 -2.43 1.20 1.44 -1.26 -4.90 115.22 109.45 1q3k n HIS 83 Ca 0.08 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.39 1q3k n HIS 83 Cb 0.35 -0.27 -0.04 0.00 0.12 0.00 0.00 29.99 30.16 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 -3.00 3.48 0.95 -1.40 0.40 -1.21 -5.02 117.98 112.18 1q3k s PHE 84 Ca 0.11 1.66 -0.11 0.00 -0.60 0.00 0.00 56.93 57.99 1q3k s PHE 84 Cb 0.18 -3.33 0.16 0.00 0.51 0.00 0.00 43.02 40.53 1q3k s PHE 84 CO 0.69 -0.74 1.09 -2.14 0.70 0.00 0.00 175.22 174.82 1q3k s PRO 85 N -1.56 0.83 0.00 0.24 0.02 -1.26 -3.54 135.00 129.72 1q3k s PRO 85 Ca 0.46 0.98 0.00 0.00 0.02 0.00 0.00 61.00 62.46 1q3k s PRO 85 Cb -0.32 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.45 1q3k s PRO 85 CO 0.42 -2.58 0.00 0.41 -0.33 0.00 0.00 177.00 174.92 1q3k n GLY 86 N -0.50 1.47 3.66 0.52 0.00 -1.26 -4.65 105.19 104.43 1q3k n GLY 86 Ca 0.07 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.00 3.36 -0.32 2.61 -1.32 -1.23 -4.66 115.64 114.07 1q3k s THR 87 Ca 0.00 0.43 0.01 0.00 -1.21 0.00 0.00 61.69 60.92 1q3k s THR 87 Cb 0.00 -3.28 0.08 0.00 -1.51 0.00 0.00 72.50 67.79 1q3k s THR 87 CO 0.00 -0.04 0.02 -0.89 -2.21 0.00 0.00 174.62 171.50 1q3k s THR 88 N 4.24 2.61 0.13 5.08 2.01 0.19 -4.94 115.64 124.95 1q3k s THR 88 Ca 0.80 -1.88 0.04 0.00 0.31 0.00 0.00 61.69 60.96 1q3k s THR 88 Cb -0.37 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 1q3k s THR 88 CO 0.34 -0.35 0.10 -0.44 -0.69 0.00 0.00 174.62 173.59 1q3k s SER 89 N 1.21 5.48 0.24 3.53 0.01 -1.26 -4.41 113.70 118.49 1q3k s SER 89 Ca 0.01 -0.09 0.03 0.00 1.31 0.00 0.00 55.95 57.22 1q3k s SER 89 Cb -0.20 -1.43 -0.03 0.00 0.21 0.00 0.00 66.02 64.56 1q3k s SER 89 CO -0.05 0.12 0.38 -0.76 0.41 0.00 0.00 173.24 173.33 1q3k s LEU 90 N -2.77 4.27 0.63 2.44 1.43 -0.36 -4.89 118.68 119.44 1q3k s LEU 90 Ca 0.30 0.17 -0.13 0.00 -1.03 0.00 0.00 54.13 53.43 1q3k s LEU 90 Cb -0.11 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.13 1q3k s LEU 90 CO 0.22 -0.08 1.05 -1.81 0.23 0.00 0.00 176.35 175.97 1q3k s ASP 91 N -3.78 5.69 0.26 2.29 1.01 -1.26 -3.63 116.67 117.24 1q3k s ASP 91 Ca 0.35 1.69 -0.02 0.00 0.71 0.00 0.00 52.55 55.28 1q3k s ASP 91 Cb -0.10 -2.51 0.48 0.00 1.01 0.00 0.00 42.92 41.80 1q3k s ASP 91 CO 0.30 -1.23 1.78 1.23 0.21 0.00 0.00 175.17 177.46 1q3k h GLY 92 N -0.06 1.33 1.40 0.21 0.00 -1.98 -2.33 103.07 101.64 1q3k h GLY 92 Ca -0.45 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 46.57 1q3k h GLY 92 CO 0.58 0.02 0.17 0.00 0.00 0.00 0.00 176.54 177.31 1q3k h ALA 93 N 1.52 1.33 -0.15 3.60 0.00 -1.99 -1.92 119.26 121.64 1q3k h ALA 93 Ca 0.44 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1q3k h ALA 93 Cb 0.55 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1q3k h ALA 93 CO -0.32 0.49 -0.11 1.15 0.00 0.00 0.00 179.25 180.46 1q3k h THR 94 N 0.75 1.33 -0.25 0.00 2.02 -1.80 -0.98 112.91 113.98 1q3k h THR 94 Ca 0.18 -1.21 -0.06 0.00 0.77 0.00 0.00 66.41 66.09 1q3k h THR 94 Cb 0.21 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1q3k h THR 94 CO -0.01 0.36 -0.08 0.25 0.37 0.00 0.00 175.52 176.41 1q3k h LEU 95 N -0.01 0.51 -0.80 2.58 5.85 -1.32 -1.64 115.31 120.48 1q3k h LEU 95 Ca 0.03 -0.38 0.04 0.00 0.84 0.00 0.00 57.88 58.42 1q3k h LEU 95 Cb 0.61 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 1q3k h LEU 95 CO 0.03 0.77 0.50 0.74 -0.34 0.00 0.00 178.44 180.14 1q3k h THR 96 N 0.24 1.08 -0.41 1.05 2.02 -1.39 -2.24 112.91 113.26 1q3k h THR 96 Ca 0.06 -0.32 -0.10 0.00 0.77 0.00 0.00 66.41 66.82 1q3k h THR 96 Cb 0.55 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1q3k h THR 96 CO 0.03 0.17 -0.13 1.23 0.37 0.00 0.00 175.52 177.19 1q3k h GLY 97 N 0.95 0.81 0.98 2.16 0.00 -0.96 -0.92 103.07 106.09 1q3k h GLY 97 Ca 0.33 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 1q3k h GLY 97 CO -0.14 0.57 0.23 -0.84 0.00 0.00 0.00 176.54 176.36 1q3k h THR 98 N 0.68 1.21 -0.18 4.70 2.02 -1.00 -0.61 112.91 119.72 1q3k h THR 98 Ca 0.11 -0.62 -0.10 0.00 0.77 0.00 0.00 66.41 66.57 1q3k h THR 98 Cb 0.61 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1q3k h THR 98 CO 0.04 0.24 -0.27 0.58 0.37 0.00 0.00 175.52 176.48 1q3k h VAL 99 N 0.70 1.34 -0.52 3.16 2.07 -1.27 -2.45 116.25 119.28 1q3k h VAL 99 Ca 0.18 -1.48 0.06 0.00 0.82 0.00 0.00 66.70 66.27 1q3k h VAL 99 Cb 0.17 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 1q3k h VAL 99 CO -0.02 0.45 0.24 -0.61 0.02 0.00 0.00 177.57 177.65 1q3k h GLN 100 N 0.16 0.44 -0.38 1.57 4.15 -1.04 -1.57 115.11 118.44 1q3k h GLN 100 Ca 0.02 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 1q3k h GLN 100 Cb 0.84 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 1q3k h GLN 100 CO 0.06 0.29 0.07 -0.44 -1.93 0.00 0.00 178.83 176.88 1q3k h ASP 101 N 0.46 0.60 -0.39 -0.69 3.32 -1.07 -1.93 116.42 116.70 1q3k h ASP 101 Ca 0.24 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1q3k h ASP 101 Cb 0.19 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1q3k h ASP 101 CO -0.19 0.70 0.25 0.40 -1.72 0.00 0.00 179.24 178.67 1q3k h ILE 102 N 0.47 1.11 -0.49 0.35 2.04 -1.34 -1.88 117.51 117.78 1q3k h ILE 102 Ca 0.12 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1q3k h ILE 102 Cb 0.35 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1q3k h ILE 102 CO 0.01 0.11 0.28 0.40 0.00 0.00 0.00 178.15 178.95 1q3k h ILE 103 N 0.52 1.16 -0.70 -0.67 2.04 -1.20 -0.64 117.51 118.03 1q3k h ILE 103 Ca 0.14 -0.40 0.02 0.00 1.00 0.00 0.00 64.86 65.62 1q3k h ILE 103 Cb -0.03 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 1q3k h ILE 103 CO -0.03 0.17 0.46 -0.09 0.00 0.00 0.00 178.15 178.66 1q3k h ARG 104 N 0.65 0.89 -0.43 2.37 2.43 -1.18 -0.31 114.38 118.80 1q3k h ARG 104 Ca 0.17 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 1q3k h ARG 104 Cb 0.03 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 1q3k h ARG 104 CO -0.03 0.59 -0.15 0.93 -1.51 0.00 0.00 179.97 179.80 1q3k h GLU 105 N 0.91 0.86 -0.76 0.20 4.39 -0.91 -2.28 114.58 116.99 1q3k h GLU 105 Ca 0.27 -0.35 0.01 0.00 0.34 0.00 0.00 59.36 59.62 1q3k h GLU 105 Cb -0.06 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 1q3k h GLU 105 CO -0.08 0.99 0.50 -0.07 -1.16 0.00 0.00 179.01 179.19 1q3k h LEU 106 N 0.68 0.88 -1.29 1.33 3.38 -0.65 0.55 115.31 120.20 1q3k h LEU 106 Ca 0.10 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1q3k h LEU 106 Cb 0.70 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1q3k h LEU 106 CO 0.05 0.65 0.49 0.00 0.09 0.00 0.00 178.44 179.72 1q3k h ALA 107 N 1.27 1.51 -0.58 1.53 0.00 -0.89 -0.88 119.26 121.23 1q3k h ALA 107 Ca 0.28 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1q3k h ALA 107 Cb -0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 1q3k h ALA 107 CO -0.06 0.44 0.02 -0.09 0.00 0.00 0.00 179.25 179.56 1q3k h ARG 108 N 0.96 0.99 -0.09 0.00 2.43 -0.34 -2.09 114.38 116.24 1q3k h ARG 108 Ca 0.28 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1q3k h ARG 108 Cb -0.05 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1q3k h ARG 108 CO -0.07 0.96 0.03 0.45 -1.51 0.00 0.00 179.97 179.83 1q3k h HIS 109 N 0.91 0.12 0.00 2.20 3.86 -0.36 -3.45 115.15 118.42 1q3k h HIS 109 Ca 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1q3k h HIS 109 Cb 0.51 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.94 1q3k h HIS 109 CO 0.03 0.11 0.00 0.41 0.86 0.00 0.00 177.93 179.34 1q3k n GLY 110 N -1.43 0.84 3.77 2.45 0.00 -0.78 -4.97 105.19 105.07 1q3k n GLY 110 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 3.29 0.00 1.61 1.01 -0.42 -4.93 120.40 118.96 1q3k s VAL 111 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1q3k s VAL 111 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1q3k s VAL 111 CO 0.00 -0.01 0.51 0.54 0.00 0.00 0.00 175.10 176.15 1q3k n ARG 112 N -0.36 0.10 -3.63 2.72 5.12 -1.26 -4.01 116.66 115.33 1q3k n ARG 112 Ca 0.07 -0.53 -0.24 0.00 -1.93 0.00 0.00 57.85 55.21 1q3k n ARG 112 Cb 0.48 -0.52 -0.17 0.00 -1.16 0.00 0.00 32.46 31.10 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 -0.03 0.04 -0.03 5.56 0.52 -1.26 -0.99 118.95 122.76 1q3k s ARG 113 Ca 0.00 0.05 0.02 0.00 -0.52 0.00 0.00 55.73 55.28 1q3k s ARG 113 Cb 0.00 -1.43 0.01 0.00 0.52 0.00 0.00 34.95 34.05 1q3k s ARG 113 CO 0.00 -0.56 -0.07 -1.17 0.02 0.00 0.00 175.30 173.52 1q3k s LEU 114 N 2.14 1.63 -0.20 2.53 2.96 -0.58 -1.08 118.68 126.08 1q3k s LEU 114 Ca 0.03 -0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.75 1q3k s LEU 114 Cb -0.15 -0.50 -0.01 0.00 0.50 0.00 0.00 46.19 46.03 1q3k s LEU 114 CO -0.07 0.02 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.21 1q3k s VAL 115 N 0.46 3.18 -0.34 1.68 1.01 0.80 -1.00 120.40 126.18 1q3k s VAL 115 Ca -0.07 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.23 1q3k s VAL 115 Cb -0.11 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 1q3k s VAL 115 CO 0.01 0.45 0.21 -0.76 0.00 0.00 0.00 175.10 175.01 1q3k s LEU 116 N 1.30 4.43 -0.43 3.92 1.43 0.80 -0.85 118.68 129.28 1q3k s LEU 116 Ca 0.04 -0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 52.51 1q3k s LEU 116 Cb -0.14 -2.08 0.08 0.00 0.03 0.00 0.00 46.19 44.08 1q3k s LEU 116 CO -0.03 -0.25 0.28 -0.32 0.23 0.00 0.00 176.35 176.26 1q3k s MET 117 N 1.67 2.62 0.08 1.70 1.75 -0.40 -1.65 119.30 125.08 1q3k s MET 117 Ca 0.05 -1.49 -0.26 0.00 -1.25 0.00 0.00 55.69 52.74 1q3k s MET 117 Cb -0.17 -3.83 -0.06 0.00 2.84 0.00 0.00 34.83 33.60 1q3k s MET 117 CO 0.09 -0.99 0.79 1.21 -0.65 0.00 0.00 175.02 175.47 1q3k s ASN 118 N 2.24 7.29 0.00 1.11 3.04 -0.37 -0.73 114.94 127.53 1q3k s ASN 118 Ca 0.03 1.54 0.01 0.00 0.04 0.00 0.00 52.86 54.48 1q3k s ASN 118 Cb -0.24 -2.49 0.00 0.00 -1.54 0.00 0.00 41.25 36.99 1q3k s ASN 118 CO 0.02 0.05 0.39 0.61 -3.04 0.00 0.00 177.10 175.13 1q3k n GLY 119 N 2.18 -0.82 2.95 1.21 0.00 0.33 -3.21 105.19 107.83 1q3k n GLY 119 Ca -0.03 -0.02 -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 -0.31 2.35 0.24 1.61 5.65 -1.25 -4.68 115.29 118.91 1q3k s HIS 120 Ca 0.01 -1.66 -0.13 0.00 0.25 0.00 0.00 55.06 53.52 1q3k s HIS 120 Cb 0.00 -1.58 0.31 0.00 -1.18 0.00 0.00 32.58 30.14 1q3k s HIS 120 CO 0.01 -0.75 1.48 0.98 -0.65 0.00 0.00 174.74 175.81 1q3k n TYR 121 N 4.69 0.15 0.26 3.88 9.36 -1.26 -0.61 117.16 133.63 1q3k n TYR 121 Ca -0.13 1.17 0.16 0.00 3.32 0.00 0.00 57.90 62.42 1q3k n TYR 121 Cb 0.45 -0.93 0.79 0.00 -0.63 0.00 0.00 39.34 39.02 1q3k n TYR 121 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1q3k h GLU 122 N 0.00 0.00 -0.01 2.98 3.07 -1.92 -3.08 114.58 115.61 1q3k h GLU 122 Ca 0.38 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.13 1q3k h GLU 122 Cb 0.62 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.51 1q3k h GLU 122 CO -0.96 0.00 -0.51 -0.91 -1.40 0.00 0.00 179.01 175.23 1q3k h ASN 123 N 0.00 0.04 0.00 1.42 2.35 -1.20 -3.40 115.58 114.78 1q3k h ASN 123 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1q3k h ASN 123 Cb 0.10 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1q3k h ASN 123 CO 0.00 0.54 0.00 -1.20 -1.65 0.00 0.00 177.43 175.12 1q3k n SER 124 N -3.93 0.00 0.21 5.81 7.64 -1.17 -1.57 113.62 120.61 1q3k n SER 124 Ca -0.02 0.51 0.05 0.00 1.01 0.00 0.00 58.87 60.43 1q3k n SER 124 Cb 0.53 -0.25 0.51 0.00 -1.01 0.00 0.00 64.21 63.99 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 -0.03 1.43 2.86 -1.88 -0.07 114.93 117.30 1q3k h MET 125 Ca 0.00 -0.01 -0.15 0.00 -2.06 0.00 0.00 59.70 57.48 1q3k h MET 125 Cb 0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1q3k h MET 125 CO 0.00 0.18 -0.67 0.74 1.06 0.00 0.00 176.91 178.21 1q3k h PHE 126 N 0.05 0.20 -0.33 -0.22 -1.00 -1.59 -0.24 116.94 113.81 1q3k h PHE 126 Ca 0.01 -0.09 -0.11 0.00 2.81 0.00 0.00 57.97 60.60 1q3k h PHE 126 Cb 0.24 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.76 1q3k h PHE 126 CO 0.00 0.78 -0.22 0.82 -1.61 0.00 0.00 178.31 178.08 1q3k h ILE 127 N 0.10 1.29 -0.31 -0.55 2.04 -0.35 -1.10 117.51 118.63 1q3k h ILE 127 Ca -0.01 -1.36 -0.00 0.00 1.00 0.00 0.00 64.86 64.49 1q3k h ILE 127 Cb 1.20 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 1q3k h ILE 127 CO 0.10 0.44 0.19 0.58 0.00 0.00 0.00 178.15 179.46 1q3k h VAL 128 N 0.50 1.10 -0.55 1.67 2.07 -0.86 -1.16 116.25 119.02 1q3k h VAL 128 Ca 0.07 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 1q3k h VAL 128 Cb 0.77 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1q3k h VAL 128 CO 0.06 0.10 -0.04 -0.08 0.02 0.00 0.00 177.57 177.63 1q3k h GLU 129 N 0.41 0.97 -0.97 1.57 4.57 -0.95 -0.37 114.58 119.80 1q3k h GLU 129 Ca 0.11 -0.31 0.03 0.00 -1.18 0.00 0.00 59.36 58.01 1q3k h GLU 129 Cb -0.00 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.44 1q3k h GLU 129 CO -0.02 0.98 0.64 0.78 -1.18 0.00 0.00 179.01 180.20 1q3k h GLY 130 N 0.98 1.40 0.81 1.92 0.00 -0.80 -0.90 103.07 106.49 1q3k h GLY 130 Ca 0.15 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 1q3k h GLY 130 CO 0.03 0.44 -0.02 -2.22 0.00 0.00 0.00 176.54 174.78 1q3k h ILE 131 N 1.26 1.27 -0.79 2.60 2.04 -0.86 -1.46 117.51 121.56 1q3k h ILE 131 Ca 0.38 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 1q3k h ILE 131 Cb -0.05 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 1q3k h ILE 131 CO -0.11 0.28 0.36 -0.78 0.00 0.00 0.00 178.15 177.91 1q3k h ASP 132 N 0.10 1.06 -0.41 1.72 3.58 -0.80 -0.88 116.42 120.78 1q3k h ASP 132 Ca 0.05 -0.15 -0.15 0.00 0.42 0.00 0.00 57.03 57.21 1q3k h ASP 132 Cb 0.43 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1q3k h ASP 132 CO 0.01 0.91 -0.32 -0.07 -2.88 0.00 0.00 179.24 176.89 1q3k h LEU 133 N 1.13 1.01 -0.14 2.28 3.38 -1.17 -2.40 115.31 119.40 1q3k h LEU 133 Ca 0.27 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1q3k h LEU 133 Cb 0.15 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1q3k h LEU 133 CO -0.03 1.23 0.07 0.00 0.09 0.00 0.00 178.44 179.80 1q3k h ALA 134 N 0.82 0.18 -0.17 1.53 0.00 -1.03 -2.71 119.26 117.87 1q3k h ALA 134 Ca 0.08 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1q3k h ALA 134 Cb 0.91 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1q3k h ALA 134 CO 0.08 -0.28 -0.22 -0.07 0.00 0.00 0.00 179.25 178.77 1q3k h LEU 135 N 0.11 0.29 -0.74 0.00 3.38 -1.15 0.05 115.31 117.25 1q3k h LEU 135 Ca 0.05 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1q3k h LEU 135 Cb 0.09 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1q3k h LEU 135 CO -0.01 0.53 0.20 -0.09 0.09 0.00 0.00 178.44 179.16 1q3k h ARG 136 N 0.27 1.16 -0.20 1.13 2.43 -1.38 -0.29 114.38 117.49 1q3k h ARG 136 Ca 0.05 -0.26 -0.06 0.00 -0.81 0.00 0.00 59.98 58.89 1q3k h ARG 136 Cb 0.54 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1q3k h ARG 136 CO 0.04 1.00 -0.11 1.49 -1.51 0.00 0.00 179.97 180.88 1q3k h GLU 137 N 1.10 0.43 -0.79 0.20 4.81 -1.06 -2.90 114.58 116.36 1q3k h GLU 137 Ca 0.23 -0.19 0.09 0.00 -0.13 0.00 0.00 59.36 59.36 1q3k h GLU 137 Cb 0.35 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.65 1q3k h GLU 137 CO -0.00 0.73 0.44 -0.07 -0.73 0.00 0.00 179.01 179.37 1q3k h LEU 138 N 0.12 0.62 -0.88 1.64 4.07 -0.58 0.01 115.31 120.31 1q3k h LEU 138 Ca 0.04 0.05 0.02 0.00 0.08 0.00 0.00 57.88 58.07 1q3k h LEU 138 Cb 0.60 -0.07 -0.05 0.00 1.08 0.00 0.00 40.66 42.23 1q3k h LEU 138 CO 0.03 0.35 0.58 0.03 -1.08 0.00 0.00 178.44 178.36 1q3k h ARG 139 N 0.74 1.13 -0.53 1.13 3.08 -1.01 0.83 114.38 119.75 1q3k h ARG 139 Ca 0.38 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.43 1q3k h ARG 139 Cb 0.35 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1q3k h ARG 139 CO -0.25 0.75 0.35 1.88 -1.07 0.00 0.00 179.97 181.63 1q3k h TYR 140 N 1.16 0.46 -0.13 3.04 0.99 -0.83 -0.04 116.97 121.62 1q3k h TYR 140 Ca 0.34 0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.08 1q3k h TYR 140 Cb -0.08 -0.15 0.00 0.00 1.00 0.00 0.00 36.73 37.50 1q3k h TYR 140 CO -0.01 0.25 0.00 0.00 -0.00 0.00 0.00 178.16 178.40 1q3k n ALA 141 N -2.50 2.54 -0.83 3.88 0.00 0.09 -4.90 120.51 118.79 1q3k n ALA 141 Ca 0.07 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1q3k n ALA 141 Cb 0.25 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 1.05 0.87 3.54 0.00 0.00 -0.03 -5.03 105.19 105.60 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 -3.42 4.87 -0.85 -0.61 1.01 -0.08 -4.90 121.20 117.22 1q3k s ILE 143 Ca 0.00 0.33 0.08 0.00 0.00 0.00 0.00 60.65 61.06 1q3k s ILE 143 Cb 0.00 -4.13 0.03 0.00 0.01 0.00 0.00 42.46 38.37 1q3k s ILE 143 CO 0.00 -0.45 0.65 1.41 0.00 0.00 0.00 174.94 176.55 1q3k n HIS 144 N 6.14 0.00 -0.77 3.97 8.25 -1.26 -3.36 115.22 128.18 1q3k n HIS 144 Ca -0.02 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.53 1q3k n HIS 144 Cb 0.48 0.00 0.37 0.00 1.12 0.00 0.00 29.99 31.96 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 0.06 5.11 -4.71 0.41 5.75 -1.26 -4.93 116.55 116.98 1q3k n ASP 145 Ca 0.04 -2.69 -0.41 0.00 -0.01 0.00 0.00 54.79 51.72 1q3k n ASP 145 Cb 0.18 -0.62 -0.04 0.00 -1.03 0.00 0.00 41.12 39.61 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 -2.30 3.58 -0.05 2.11 5.36 -1.26 -4.81 117.98 120.61 1q3k s PHE 146 Ca 0.52 1.38 0.03 0.00 -0.96 0.00 0.00 56.93 57.90 1q3k s PHE 146 Cb 0.37 -2.92 0.00 0.00 -0.34 0.00 0.00 43.02 40.13 1q3k s PHE 146 CO 0.20 0.02 -0.15 0.21 -1.46 0.00 0.00 175.22 174.04 1q3k s LYS 147 N 1.03 1.64 -0.05 10.12 2.20 -0.16 -5.01 119.74 129.50 1q3k s LYS 147 Ca 0.42 -0.51 0.06 0.00 -0.36 0.00 0.00 55.97 55.58 1q3k s LYS 147 Cb -0.18 -1.41 -0.01 0.00 -1.51 0.00 0.00 37.83 34.71 1q3k s LYS 147 CO 0.20 0.16 -0.23 0.08 -0.36 0.00 0.00 175.35 175.20 1q3k s VAL 148 N 0.24 1.90 -0.20 4.02 1.01 -1.26 -1.52 120.40 124.59 1q3k s VAL 148 Ca -0.07 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 1q3k s VAL 148 Cb -0.12 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1q3k s VAL 148 CO 0.02 0.53 -0.12 -0.69 0.00 0.00 0.00 175.10 174.85 1q3k s VAL 149 N -0.16 2.71 -0.08 2.92 1.01 -0.17 -5.00 120.40 121.63 1q3k s VAL 149 Ca -0.02 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1q3k s VAL 149 Cb -0.13 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1q3k s VAL 149 CO 0.03 0.48 -0.09 -0.69 0.00 0.00 0.00 175.10 174.83 1q3k s VAL 150 N 1.36 3.46 0.03 2.92 1.01 -1.26 -0.14 120.40 127.78 1q3k s VAL 150 Ca 0.05 -0.56 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 1q3k s VAL 150 Cb -0.14 -2.42 0.07 0.00 0.00 0.00 0.00 36.38 33.89 1q3k s VAL 150 CO -0.08 0.57 0.62 -1.48 0.00 0.00 0.00 175.10 174.73 1q3k s LEU 151 N -0.45 -0.50 -0.27 3.92 0.05 -0.66 -4.97 118.68 115.81 1q3k s LEU 151 Ca 0.06 0.39 -0.10 0.00 0.05 0.00 0.00 54.13 54.54 1q3k s LEU 151 Cb -0.12 2.46 -0.04 0.00 -2.05 0.00 0.00 46.19 46.44 1q3k s LEU 151 CO 0.02 -0.74 0.15 -0.44 -0.55 0.00 0.00 176.35 174.79 1q3k s SER 152 N -1.80 5.68 0.44 1.48 0.01 -1.26 -1.23 113.70 117.01 1q3k s SER 152 Ca -0.06 -0.11 0.23 0.00 1.31 0.00 0.00 55.95 57.32 1q3k s SER 152 Cb -0.01 -2.04 1.23 0.00 0.21 0.00 0.00 66.02 65.41 1q3k s SER 152 CO 0.01 -0.05 1.80 0.10 0.41 0.00 0.00 173.24 175.51 1q3k h TYR 153 N 8.32 0.44 0.00 2.43 -0.00 -1.91 0.08 116.97 126.34 1q3k h TYR 153 Ca -0.36 0.02 -0.01 0.00 0.00 0.00 0.00 58.73 58.37 1q3k h TYR 153 Cb 1.18 -0.13 -0.00 0.00 0.00 0.00 0.00 36.73 37.78 1q3k h TYR 153 CO 0.72 0.06 -0.05 0.11 -0.00 0.00 0.00 178.16 179.00 1q3k h TRP 154 N 0.28 0.00 0.00 0.10 0.09 -1.94 -2.62 115.95 111.86 1q3k h TRP 154 Ca 0.55 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.53 1q3k h TRP 154 Cb 1.61 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.85 1q3k h TRP 154 CO -0.00 0.05 0.00 -0.25 0.09 0.00 0.00 178.44 178.33 1q3k n ASP 155 N -3.23 0.13 -0.27 0.11 8.00 0.02 -2.06 116.55 119.25 1q3k n ASP 155 Ca -0.01 0.54 0.14 0.00 0.71 0.00 0.00 54.79 56.18 1q3k n ASP 155 Cb 0.27 -0.57 0.68 0.00 -0.02 0.00 0.00 41.12 41.48 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 -1.66 0.02 -3.04 1.24 3.01 -0.99 -4.26 117.46 111.78 1q3k n PHE 156 Ca 0.02 -0.01 -0.44 0.00 1.01 0.00 0.00 57.45 58.04 1q3k n PHE 156 Cb 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 1q3k n PHE 156 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1q3k n VAL 157 N -0.33 4.82 -0.11 -4.37 0.31 -0.88 -4.71 118.33 113.06 1q3k n VAL 157 Ca 0.20 -5.42 -0.15 0.00 -0.01 0.00 0.00 64.34 58.96 1q3k n VAL 157 Cb 0.24 -2.34 -0.12 0.00 -0.91 0.00 0.00 33.84 30.71 1q3k n VAL 157 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1q3k n LYS 158 N 2.61 0.65 -1.57 5.55 5.02 -1.26 -4.90 118.16 124.26 1q3k n LYS 158 Ca 0.28 0.12 -0.56 0.00 -2.02 0.00 0.00 58.31 56.12 1q3k n LYS 158 Cb 0.37 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 33.82 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 -3.12 2.05 -0.11 4.39 2.03 -1.26 -4.81 116.55 115.72 1q3k n ASP 159 Ca -0.40 0.83 0.17 0.00 0.52 0.00 0.00 54.79 55.91 1q3k n ASP 159 Cb 0.97 -1.13 0.57 0.00 -0.72 0.00 0.00 41.12 40.81 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 8.88 0.26 -0.33 -0.67 0.11 -1.98 0.26 132.00 138.53 1q3k h PRO 160 Ca -0.36 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.70 1q3k h PRO 160 Cb 1.34 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1q3k h PRO 160 CO 1.00 0.17 0.07 0.00 -0.21 0.00 0.00 178.00 179.03 1q3k h ALA 161 N 1.67 0.44 -0.32 -0.75 0.00 -1.98 0.43 119.26 118.75 1q3k h ALA 161 Ca 0.33 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1q3k h ALA 161 Cb 0.91 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1q3k h ALA 161 CO -0.08 0.13 -0.41 0.28 0.00 0.00 0.00 179.25 179.17 1q3k h VAL 162 N 0.38 1.28 -0.47 0.00 2.07 -1.34 0.40 116.25 118.58 1q3k h VAL 162 Ca 0.10 -1.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.01 1q3k h VAL 162 Cb 0.33 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1q3k h VAL 162 CO 0.00 0.52 0.21 0.40 0.02 0.00 0.00 177.57 178.72 1q3k h ILE 163 N 0.64 1.20 0.25 4.57 2.04 -0.34 0.24 117.51 126.11 1q3k h ILE 163 Ca 0.05 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 1q3k h ILE 163 Cb 0.97 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1q3k h ILE 163 CO 0.09 0.22 -0.12 -0.61 0.00 0.00 0.00 178.15 177.73 1q3k h GLN 164 N 0.61 -0.32 -0.72 2.37 4.15 0.02 0.74 115.11 121.96 1q3k h GLN 164 Ca 0.16 0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.65 1q3k h GLN 164 Cb 0.15 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.87 1q3k h GLN 164 CO -0.02 -0.19 0.47 -0.09 -1.93 0.00 0.00 178.83 177.08 1q3k h ARG 165 N -0.37 0.79 -0.04 1.69 2.43 -0.73 -0.73 114.38 117.42 1q3k h ARG 165 Ca -0.03 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.00 1q3k h ARG 165 Cb 0.28 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1q3k h ARG 165 CO 0.06 0.52 -0.31 -0.07 -1.51 0.00 0.00 179.97 178.66 1q3k h LEU 166 N 0.81 0.35 -5.43 3.80 -0.00 -0.11 -3.38 115.31 111.34 1q3k h LEU 166 Ca 0.30 -0.69 -0.63 0.00 -0.00 0.00 0.00 57.88 56.86 1q3k h LEU 166 Cb 0.15 -0.10 -0.40 0.00 -0.00 0.00 0.00 40.66 40.32 1q3k h LEU 166 CO -0.09 0.98 -0.36 -1.22 -0.00 0.00 0.00 178.44 177.75 1q3k n TYR 167 N -4.45 3.84 -1.56 1.13 4.02 0.25 -4.99 117.16 115.42 1q3k n TYR 167 Ca -0.09 -3.75 -0.17 0.00 -0.01 0.00 0.00 57.90 53.89 1q3k n TYR 167 Cb 0.51 -0.60 -0.12 0.00 -0.02 0.00 0.00 39.34 39.11 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 -0.22 0.19 0.00 -0.72 -0.02 -0.31 -0.49 135.00 133.42 1q3k n PRO 168 Ca 0.34 -1.72 0.00 0.00 -2.02 0.00 0.00 63.50 60.09 1q3k n PRO 168 Cb 0.37 -3.87 0.00 0.00 -0.02 0.00 0.00 33.50 29.98 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 8.14 0.00 0.00 -0.52 4.07 -1.26 -5.12 120.64 125.94 1q3k n GLU 169 Ca 0.42 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.52 1q3k n GLU 169 Cb 0.47 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.85 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 -0.08 3.72 8.31 0.00 0.36 -4.96 105.19 112.53 1q3k n GLY 170 Ca 0.00 -1.47 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.13 3.60 0.05 1.61 5.99 -1.26 -4.90 117.98 120.95 1q3k s PHE 171 Ca 0.00 1.38 0.05 0.00 0.00 0.00 0.00 56.93 58.35 1q3k s PHE 171 Cb 0.00 -2.89 -0.24 0.00 0.00 0.00 0.00 43.02 39.89 1q3k s PHE 171 CO 0.00 0.06 1.04 -0.07 -0.00 0.00 0.00 175.22 176.26 1q3k h LEU 172 N 6.75 0.14 0.00 6.12 3.38 -1.96 -3.50 115.31 126.24 1q3k h LEU 172 Ca -0.41 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1q3k h LEU 172 Cb 1.20 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1q3k h LEU 172 CO 0.75 1.14 0.00 0.61 0.09 0.00 0.00 178.44 181.03 1q3k n GLY 173 N 1.48 3.54 0.26 0.83 0.00 -1.26 -4.87 105.19 105.17 1q3k n GLY 173 Ca -0.08 -1.84 0.14 0.00 0.00 0.00 0.00 46.02 44.24 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 0.26 1.61 -0.00 -1.97 -3.24 115.95 112.61 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 -0.03 0.00 -0.00 0.00 0.00 29.16 29.13 1q3k h TRP 174 CO 0.00 0.09 -0.37 -0.44 -0.00 0.00 0.00 178.44 177.72 1q3k h ASP 175 N 0.00 -1.03 -0.26 -3.49 3.45 -1.89 -2.07 116.42 111.12 1q3k h ASP 175 Ca -0.00 0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.56 1q3k h ASP 175 Cb 0.59 0.37 0.00 0.00 -0.56 0.00 0.00 39.33 39.73 1q3k h ASP 175 CO 0.01 -0.49 0.00 2.30 -1.57 0.00 0.00 179.24 179.50 1q3k n ILE 176 N -5.46 0.38 -0.82 0.35 -5.35 -1.23 -4.29 119.36 102.93 1q3k n ILE 176 Ca -0.09 -0.36 -0.08 0.00 -0.27 0.00 0.00 62.75 61.95 1q3k n ILE 176 Cb 0.37 0.15 -0.10 0.00 -1.74 0.00 0.00 39.64 38.32 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 0.27 1.63 -3.66 6.28 -0.58 -0.78 -3.38 120.64 120.42 1q3k n GLU 177 Ca 0.09 -0.67 -0.39 0.00 -0.42 0.00 0.00 57.16 55.77 1q3k n GLU 177 Cb 0.24 -1.62 -0.12 0.00 -0.57 0.00 0.00 31.44 29.38 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 0.50 3.21 -0.12 -0.32 5.65 -1.26 -4.33 115.29 118.62 1q3k s HIS 178 Ca 0.41 -0.92 0.00 0.00 0.25 0.00 0.00 55.06 54.80 1q3k s HIS 178 Cb 0.20 -2.36 0.00 0.00 -1.18 0.00 0.00 32.58 29.24 1q3k s HIS 178 CO -0.01 -0.59 0.00 0.41 -0.65 0.00 0.00 174.74 173.90 1q3k n GLY 179 N 4.95 0.40 0.00 1.59 0.00 -1.26 -2.35 105.19 108.51 1q3k n GLY 179 Ca -0.13 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.49 1.07 0.06 -0.02 0.00 -1.25 -4.41 105.19 99.14 1q3k n GLY 180 Ca -0.01 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 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 1.08 0.15 1.61 2.07 -1.85 -2.53 116.25 116.78 1q3k h VAL 181 Ca 0.00 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.19 1q3k h VAL 181 Cb 0.00 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1q3k h VAL 181 CO 0.00 0.09 -0.42 0.15 0.02 0.00 0.00 177.57 177.41 1q3k h PHE 182 N -0.20 -1.17 -0.17 1.57 3.57 -1.94 0.07 116.94 118.67 1q3k h PHE 182 Ca -0.00 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.32 1q3k h PHE 182 Cb 0.18 0.49 0.00 0.00 2.79 0.00 0.00 35.95 39.42 1q3k h PHE 182 CO -0.02 -0.52 -0.71 0.93 -2.23 0.00 0.00 178.31 175.76 1q3k h GLU 183 N -0.67 0.73 -0.53 1.11 5.08 -1.85 -2.55 114.58 115.89 1q3k h GLU 183 Ca 0.02 -0.55 -0.08 0.00 -1.00 0.00 0.00 59.36 57.74 1q3k h GLU 183 Cb 0.69 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1q3k h GLU 183 CO -0.23 1.17 -0.01 1.15 -1.00 0.00 0.00 179.01 180.10 1q3k h THR 184 N 0.51 1.25 0.29 1.13 2.02 -1.38 0.16 112.91 116.89 1q3k h THR 184 Ca -0.03 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.06 1q3k h THR 184 Cb 1.31 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 1q3k h THR 184 CO 0.14 0.38 -0.14 0.28 0.37 0.00 0.00 175.52 176.56 1q3k h SER 185 N 0.83 -0.32 -0.47 4.18 0.02 -0.95 0.36 113.55 117.20 1q3k h SER 185 Ca 0.15 -0.13 0.07 0.00 -0.84 0.00 0.00 61.79 61.04 1q3k h SER 185 Cb 0.50 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 1q3k h SER 185 CO 0.02 -0.04 0.32 0.25 -1.14 0.00 0.00 176.83 176.24 1q3k h LEU 186 N -0.61 0.32 -0.52 5.07 5.85 -1.40 0.64 115.31 124.67 1q3k h LEU 186 Ca -0.04 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.52 1q3k h LEU 186 Cb 0.44 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1q3k h LEU 186 CO 0.06 0.21 -0.52 -0.03 -0.34 0.00 0.00 178.44 177.82 1q3k h MET 187 N 0.37 0.60 0.00 1.25 4.05 -0.19 -2.81 114.93 118.20 1q3k h MET 187 Ca 0.21 -0.37 -0.07 0.00 -0.28 0.00 0.00 59.70 59.20 1q3k h MET 187 Cb 0.36 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.18 1q3k h MET 187 CO -0.05 0.97 -0.32 -0.07 0.23 0.00 0.00 176.91 177.67 1q3k h LEU 188 N 0.47 0.00 -0.21 3.39 3.38 0.45 0.91 115.31 123.69 1q3k h LEU 188 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1q3k h LEU 188 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1q3k h LEU 188 CO 0.10 0.32 -0.40 0.00 0.09 0.00 0.00 178.44 178.55 1q3k n ALA 189 N -2.39 3.36 0.00 1.53 0.00 -0.46 -4.08 120.51 118.47 1q3k n ALA 189 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1q3k n ALA 189 Cb 0.40 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.13 1.15 -3.16 0.00 4.77 -1.06 -4.92 117.00 112.65 1q3k n LEU 190 Ca 0.08 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.84 1q3k n LEU 190 Cb 0.34 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.38 1q3k n LEU 190 CO 0.31 0.18 -0.12 -1.22 -1.33 0.00 0.00 177.39 175.21 1q3k n TYR 191 N -2.76 1.42 -0.32 -1.77 4.02 0.29 -4.96 117.16 113.08 1q3k n TYR 191 Ca 0.00 -3.85 0.17 0.00 -0.01 0.00 0.00 57.90 54.21 1q3k n TYR 191 Cb 0.48 -0.44 0.41 0.00 -0.02 0.00 0.00 39.34 39.77 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 3.36 0.58 -0.12 -0.72 0.11 -1.69 -0.88 132.00 132.63 1q3k h PRO 192 Ca 0.11 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.22 1q3k h PRO 192 Cb 0.80 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 1q3k h PRO 192 CO 0.61 0.38 0.09 -0.44 -0.21 0.00 0.00 178.00 178.43 1q3k h ASP 193 N 0.59 0.03 -0.08 -2.05 3.32 -1.92 -1.16 116.42 115.14 1q3k h ASP 193 Ca 0.56 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.61 1q3k h ASP 193 Cb 1.11 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1q3k h ASP 193 CO -0.32 0.02 0.00 0.18 -1.72 0.00 0.00 179.24 177.40 1q3k n LEU 194 N -4.51 1.19 -4.00 1.55 4.77 -0.34 -4.80 117.00 110.87 1q3k n LEU 194 Ca -0.00 -0.46 -0.18 0.00 -0.03 0.00 0.00 56.01 55.33 1q3k n LEU 194 Cb 0.18 -0.05 -0.15 0.00 -2.33 0.00 0.00 43.42 41.08 1q3k n LEU 194 CO 0.35 0.23 -0.42 0.54 -1.33 0.00 0.00 177.39 176.75 1q3k s VAL 195 N -1.90 0.63 -0.37 4.08 0.11 -0.44 -2.47 120.40 120.04 1q3k s VAL 195 Ca 0.35 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 1q3k s VAL 195 Cb 0.18 -0.54 0.13 0.00 -1.53 0.00 0.00 36.38 34.62 1q3k s VAL 195 CO 0.28 0.18 0.20 -0.62 -3.33 0.00 0.00 175.10 171.82 1q3k s ASP 196 N -0.08 3.32 0.62 3.54 2.15 -0.16 -4.90 116.67 121.16 1q3k s ASP 196 Ca 0.02 -2.17 0.27 0.00 0.43 0.00 0.00 52.55 51.10 1q3k s ASP 196 Cb -0.04 -0.62 1.33 0.00 -0.30 0.00 0.00 42.92 43.28 1q3k s ASP 196 CO -0.00 -0.32 1.75 -0.07 -0.17 0.00 0.00 175.17 176.35 1q3k h LEU 197 N 7.18 0.00 -1.13 -1.34 -0.00 -1.95 -1.88 115.31 116.19 1q3k h LEU 197 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1q3k h LEU 197 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.63 1q3k h LEU 197 CO 0.36 0.00 0.00 -0.33 -0.00 0.00 0.00 178.44 178.47 1q3k h GLU 198 N 0.00 0.00 -0.00 1.13 5.08 -1.95 -2.15 114.58 116.68 1q3k h GLU 198 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1q3k h GLU 198 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1q3k h GLU 198 CO -0.00 0.00 -0.69 0.54 -1.00 0.00 0.00 179.01 177.86 1q3k n ARG 199 N -2.60 0.37 -1.45 2.33 1.74 -0.71 -4.92 116.66 111.42 1q3k n ARG 199 Ca 0.01 -0.28 -0.49 0.00 -0.77 0.00 0.00 57.85 56.32 1q3k n ARG 199 Cb 0.24 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.12 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 -1.07 0.17 -2.80 1.55 0.31 -0.81 -4.49 118.33 111.19 1q3k n VAL 200 Ca 0.06 -0.28 -0.43 0.00 -0.01 0.00 0.00 64.34 63.69 1q3k n VAL 200 Cb 0.36 -1.68 -0.03 0.00 -0.91 0.00 0.00 33.84 31.59 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 7.62 4.45 0.50 2.52 1.01 -1.26 -4.95 120.40 130.29 1q3k s VAL 201 Ca 1.10 -1.29 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 1q3k s VAL 201 Cb -0.83 -4.87 -0.08 0.00 0.00 0.00 0.00 36.38 30.60 1q3k s VAL 201 CO 0.48 -1.65 1.06 -0.67 0.00 0.00 0.00 175.10 174.32 1q3k n ASP 202 N 7.36 1.41 -3.51 3.32 -0.08 -1.26 -4.89 116.55 118.90 1q3k n ASP 202 Ca 0.27 0.95 -0.08 0.00 -1.51 0.00 0.00 54.79 54.42 1q3k n ASP 202 Cb 0.50 -1.41 -0.02 0.00 2.34 0.00 0.00 41.12 42.53 1q3k n ASP 202 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 1q3k s HIS 203 N -1.36 -0.35 0.57 -0.67 -3.43 -1.26 -5.04 115.29 103.75 1q3k s HIS 203 Ca 0.68 0.20 -0.19 0.00 -0.80 0.00 0.00 55.06 54.95 1q3k s HIS 203 Cb -0.48 0.54 -0.05 0.00 -1.43 0.00 0.00 32.58 31.17 1q3k s HIS 203 CO 0.53 -0.58 1.17 -2.14 -2.00 0.00 0.00 174.74 171.72 1q3k s PRO 204 N -3.17 3.13 0.27 -0.38 0.02 -1.26 -3.96 135.00 129.64 1q3k s PRO 204 Ca 0.05 1.73 -0.30 0.00 0.02 0.00 0.00 61.00 62.51 1q3k s PRO 204 Cb -0.01 -1.96 -0.14 0.00 0.02 0.00 0.00 34.50 32.41 1q3k s PRO 204 CO -0.09 -1.05 1.18 -2.30 -0.33 0.00 0.00 177.00 174.40 1q3k n PRO 205 N -1.47 1.61 -2.04 5.54 -0.02 -1.26 -4.79 135.00 132.56 1q3k n PRO 205 Ca 0.13 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 1q3k n PRO 205 Cb 0.50 -2.06 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 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 -0.69 3.53 0.04 3.55 0.00 -0.03 -5.01 121.76 123.15 1q3k s ALA 206 Ca 0.63 1.33 0.06 0.00 0.00 0.00 0.00 51.96 53.97 1q3k s ALA 206 Cb -0.69 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 18.89 1q3k s ALA 206 CO 0.57 -0.73 -0.17 0.99 0.00 0.00 0.00 175.76 176.42 1q3k s THR 207 N -0.92 1.33 0.02 0.00 2.01 -1.26 -4.95 115.64 111.88 1q3k s THR 207 Ca 0.51 -1.04 -0.05 0.00 0.31 0.00 0.00 61.69 61.42 1q3k s THR 207 Cb -0.41 -1.18 -0.01 0.00 0.01 0.00 0.00 72.50 70.91 1q3k s THR 207 CO 0.53 0.11 0.08 -0.36 -0.69 0.00 0.00 174.62 174.29 1q3k s PHE 208 N -0.78 0.18 1.08 4.92 0.40 -1.26 -5.06 117.98 117.45 1q3k s PHE 208 Ca 0.04 -0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 55.83 1q3k s PHE 208 Cb -0.08 -0.13 0.23 0.00 0.51 0.00 0.00 43.02 43.55 1q3k s PHE 208 CO 0.01 -0.31 1.06 -2.14 0.70 0.00 0.00 175.22 174.55 1q3k s PRO 209 N -2.06 -0.23 0.00 0.24 0.02 -1.26 -4.85 135.00 126.86 1q3k s PRO 209 Ca -0.10 0.76 0.00 0.00 0.02 0.00 0.00 61.00 61.68 1q3k s PRO 209 Cb -0.05 -1.64 0.00 0.00 0.02 0.00 0.00 34.50 32.83 1q3k s PRO 209 CO -0.02 -3.24 0.90 -2.30 -0.33 0.00 0.00 177.00 172.01 1q3k n PRO 210 N -4.57 0.67 -3.90 5.54 -0.02 -1.26 -4.75 135.00 126.71 1q3k n PRO 210 Ca 0.04 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.43 1q3k n PRO 210 Cb 0.55 -1.17 -0.01 0.00 -0.02 0.00 0.00 33.50 32.86 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 0.44 0.28 0.16 6.00 -0.85 -1.26 -5.18 117.35 116.95 1q3k s TYR 211 Ca 0.00 -0.79 0.09 0.00 -0.52 0.00 0.00 57.07 55.85 1q3k s TYR 211 Cb 0.00 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.84 1q3k s TYR 211 CO 0.00 -1.35 -0.20 -0.51 -1.52 0.00 0.00 175.55 171.97 1q3k s ASP 212 N -3.07 2.84 -0.04 -0.18 1.01 -1.26 -5.08 116.67 110.89 1q3k s ASP 212 Ca 0.19 -0.83 0.05 0.00 0.71 0.00 0.00 52.55 52.66 1q3k s ASP 212 Cb -0.04 -0.18 -0.01 0.00 1.01 0.00 0.00 42.92 43.71 1q3k s ASP 212 CO 0.12 0.02 -0.20 -0.69 0.21 0.00 0.00 175.17 174.63 1q3k s VAL 213 N -1.81 1.64 -0.01 -1.27 1.01 -1.26 -5.13 120.40 113.58 1q3k s VAL 213 Ca 0.15 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1q3k s VAL 213 Cb -0.07 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.91 1q3k s VAL 213 CO 0.07 0.47 -0.06 -0.36 0.00 0.00 0.00 175.10 175.21 1q3k s PHE 214 N -0.10 0.61 0.51 5.22 0.40 -1.26 -3.60 117.98 119.77 1q3k s PHE 214 Ca -0.02 -0.13 -0.23 0.00 -0.60 0.00 0.00 56.93 55.96 1q3k s PHE 214 Cb -0.12 -0.43 -0.07 0.00 0.51 0.00 0.00 43.02 42.91 1q3k s PHE 214 CO 0.02 -0.05 1.31 -2.30 0.70 0.00 0.00 175.22 174.91 1q3k n PRO 215 N 3.15 1.75 -1.66 0.24 -0.02 -1.26 -5.06 135.00 132.15 1q3k n PRO 215 Ca -0.16 0.64 -0.49 0.00 -2.02 0.00 0.00 63.50 61.47 1q3k n PRO 215 Cb 0.56 -2.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.49 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 -0.79 0.18 -2.87 -1.45 3.14 -1.24 -4.90 118.33 110.40 1q3k n VAL 216 Ca 0.09 -0.03 -0.43 0.00 -2.96 0.00 0.00 64.34 61.01 1q3k n VAL 216 Cb 0.43 -1.42 -0.04 0.00 -1.06 0.00 0.00 33.84 31.75 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 1.92 6.40 0.51 6.55 2.15 -1.26 -4.95 116.67 127.99 1q3k s ASP 217 Ca 0.86 -0.18 0.20 0.00 0.43 0.00 0.00 52.55 53.86 1q3k s ASP 217 Cb -0.79 -2.42 1.29 0.00 -0.30 0.00 0.00 42.92 40.70 1q3k s ASP 217 CO 0.47 -1.10 2.04 -0.65 -0.17 0.00 0.00 175.17 175.76 1q3k h PRO 218 N 9.16 0.07 0.00 4.34 0.11 -1.95 -1.50 132.00 142.23 1q3k h PRO 218 Ca -0.25 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 1q3k h PRO 218 Cb 1.08 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1q3k h PRO 218 CO 1.04 0.05 -0.15 0.00 -0.21 0.00 0.00 178.00 178.72 1q3k h ALA 219 N 1.80 1.31 -0.01 -0.75 0.00 -2.00 -2.52 119.26 117.08 1q3k h ALA 219 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1q3k h ALA 219 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1q3k h ALA 219 CO -0.02 0.19 0.00 0.54 0.00 0.00 0.00 179.25 179.97 1q3k n ARG 220 N -3.72 1.05 -5.25 0.00 1.74 -0.57 -4.73 116.66 105.19 1q3k n ARG 220 Ca -0.02 -0.08 -0.31 0.00 -0.77 0.00 0.00 57.85 56.67 1q3k n ARG 220 Cb 0.27 -1.30 -0.17 0.00 -1.02 0.00 0.00 32.46 30.24 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 -1.99 2.04 0.14 0.55 2.01 -0.95 -4.95 115.64 112.48 1q3k s THR 221 Ca 0.28 -1.05 -0.35 0.00 0.31 0.00 0.00 61.69 60.89 1q3k s THR 221 Cb 0.13 -1.73 -0.16 0.00 0.01 0.00 0.00 72.50 70.76 1q3k s THR 221 CO 0.22 0.56 1.35 -2.65 -0.69 0.00 0.00 174.62 173.42 1q3k n PRO 222 N 3.05 1.44 -0.38 4.92 -0.02 -1.26 -4.82 135.00 137.93 1q3k n PRO 222 Ca -0.18 0.52 0.30 0.00 -2.02 0.00 0.00 63.50 62.12 1q3k n PRO 222 Cb 0.52 -2.15 0.58 0.00 -0.02 0.00 0.00 33.50 32.42 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 4.52 2.47 0.00 3.55 0.00 -1.90 0.38 119.26 128.28 1q3k h ALA 223 Ca -0.46 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1q3k h ALA 223 Cb 1.31 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1q3k h ALA 223 CO 0.78 -0.99 -0.27 -1.35 0.00 0.00 0.00 179.25 177.42 1q3k h PRO 224 N 0.24 0.00 0.00 0.00 0.11 -1.92 -3.46 132.00 126.97 1q3k h PRO 224 Ca 0.70 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.81 1q3k h PRO 224 Cb 2.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.13 1q3k h PRO 224 CO -0.36 0.27 0.00 0.41 -0.21 0.00 0.00 178.00 178.11 1q3k n GLY 225 N -0.34 1.90 3.88 -0.55 0.00 0.13 -3.64 105.19 106.58 1q3k n GLY 225 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.27 4.79 -1.94 2.61 -4.23 -1.26 -4.41 115.64 108.93 1q3k s THR 226 Ca 0.00 0.57 0.18 0.00 -1.18 0.00 0.00 61.69 61.26 1q3k s THR 226 Cb 0.00 -3.82 0.08 0.00 1.34 0.00 0.00 72.50 70.10 1q3k s THR 226 CO 0.00 -0.81 0.99 0.18 -0.54 0.00 0.00 174.62 174.44 1q3k n LEU 227 N -2.03 2.13 -3.53 4.79 4.77 -0.99 -4.21 117.00 117.92 1q3k n LEU 227 Ca 0.03 -0.89 -0.13 0.00 -0.03 0.00 0.00 56.01 54.99 1q3k n LEU 227 Cb 0.54 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.59 1q3k n LEU 227 CO 0.52 0.38 0.62 -0.94 -1.33 0.00 0.00 177.39 176.65 1q3k s SER 228 N -1.71 -0.48 0.38 -1.43 1.04 -1.22 -0.85 113.70 109.43 1q3k s SER 228 Ca 0.18 0.40 -0.24 0.00 0.48 0.00 0.00 55.95 56.77 1q3k s SER 228 Cb 0.14 0.41 -0.09 0.00 0.10 0.00 0.00 66.02 66.59 1q3k s SER 228 CO 0.32 -0.52 1.03 -0.55 0.98 0.00 0.00 173.24 174.49 1q3k s SER 229 N -1.49 6.89 -0.19 7.02 0.15 -1.25 -3.97 113.70 120.85 1q3k s SER 229 Ca -0.03 2.00 0.15 0.00 0.70 0.00 0.00 55.95 58.76 1q3k s SER 229 Cb -0.00 -2.58 0.42 0.00 -1.71 0.00 0.00 66.02 62.14 1q3k s SER 229 CO 0.01 -0.40 1.29 0.00 1.20 0.00 0.00 173.24 175.35 1q3k n ALA 230 N 0.07 3.08 0.17 5.45 0.00 -1.26 -3.77 120.51 124.24 1q3k n ALA 230 Ca 0.04 -2.76 0.03 0.00 0.00 0.00 0.00 53.44 50.75 1q3k n ALA 230 Cb 0.50 -0.53 0.39 0.00 0.00 0.00 0.00 19.45 19.81 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 0.83 0.08 -0.03 0.00 2.10 -1.92 -1.30 116.57 116.33 1q3k h LYS 231 Ca 0.04 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1q3k h LYS 231 Cb 1.24 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1q3k h LYS 231 CO 0.13 0.35 0.00 0.25 -2.00 0.00 0.00 179.45 178.18 1q3k n THR 232 N -4.19 0.04 -2.31 0.07 -2.24 -1.26 -4.84 114.28 99.55 1q3k n THR 232 Ca -0.02 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.30 1q3k n THR 232 Cb 0.34 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 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 -1.96 3.48 0.06 6.98 0.00 -0.49 -5.01 121.76 124.81 1q3k s ALA 233 Ca 0.18 1.00 0.03 0.00 0.00 0.00 0.00 51.96 53.16 1q3k s ALA 233 Cb 0.08 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 1q3k s ALA 233 CO 0.14 -0.47 -0.08 -1.54 0.00 0.00 0.00 175.76 173.80 1q3k s SER 234 N 0.58 1.04 0.38 0.00 1.04 -1.26 -4.89 113.70 110.59 1q3k s SER 234 Ca 0.57 -0.66 0.05 0.00 0.48 0.00 0.00 55.95 56.40 1q3k s SER 234 Cb -0.34 0.04 0.76 0.00 0.10 0.00 0.00 66.02 66.58 1q3k s SER 234 CO 0.34 -0.24 2.02 -0.09 0.98 0.00 0.00 173.24 176.25 1q3k h ARG 235 N 4.12 0.68 -0.51 4.02 2.43 -1.87 -2.03 114.38 121.22 1q3k h ARG 235 Ca -0.36 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 58.79 1q3k h ARG 235 Cb 1.19 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.56 1q3k h ARG 235 CO 0.46 0.45 0.31 0.93 -1.51 0.00 0.00 179.97 180.60 1q3k h GLU 236 N 0.70 0.59 -0.46 0.20 3.07 -1.95 -0.68 114.58 116.06 1q3k h GLU 236 Ca 0.22 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 59.05 1q3k h GLU 236 Cb 0.02 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 27.77 1q3k h GLU 236 CO -0.06 0.39 0.29 0.87 -1.40 0.00 0.00 179.01 179.11 1q3k h LYS 237 N 0.61 0.57 -0.78 2.33 1.57 -1.74 -2.14 116.57 117.00 1q3k h LYS 237 Ca 0.20 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.04 1q3k h LYS 237 Cb 0.01 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.12 1q3k h LYS 237 CO -0.09 0.38 0.42 0.78 -0.57 0.00 0.00 179.45 180.38 1q3k h GLY 238 N 0.59 1.20 1.15 3.86 0.00 -0.89 0.44 103.07 109.42 1q3k h GLY 238 Ca 0.17 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 1q3k h GLY 238 CO -0.05 0.09 0.10 0.83 0.00 0.00 0.00 176.54 177.51 1q3k h GLU 239 N 0.71 1.04 0.11 4.80 4.39 -0.67 0.74 114.58 125.70 1q3k h GLU 239 Ca 0.38 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 1q3k h GLU 239 Cb 0.38 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1q3k h GLU 239 CO -0.26 0.96 -0.05 1.25 -1.16 0.00 0.00 179.01 179.74 1q3k h LEU 240 N 0.98 -0.13 -0.48 1.33 5.85 -0.50 -2.42 115.31 119.94 1q3k h LEU 240 Ca 0.19 -0.18 0.08 0.00 0.84 0.00 0.00 57.88 58.81 1q3k h LEU 240 Cb 0.43 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.42 1q3k h LEU 240 CO 0.01 0.11 0.09 0.40 -0.34 0.00 0.00 178.44 178.71 1q3k h ILE 241 N -0.37 0.72 -0.02 4.05 2.04 -0.76 -1.05 117.51 122.13 1q3k h ILE 241 Ca -0.02 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.80 1q3k h ILE 241 Cb 0.30 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 1q3k h ILE 241 CO 0.03 0.04 -0.19 0.25 0.00 0.00 0.00 178.15 178.28 1q3k h LEU 242 N 0.22 -0.56 -0.39 1.44 5.85 -0.78 0.28 115.31 121.38 1q3k h LEU 242 Ca 0.24 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 1q3k h LEU 242 Cb 0.32 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1q3k h LEU 242 CO -0.32 -0.25 0.20 -0.33 -0.34 0.00 0.00 178.44 177.39 1q3k h GLU 243 N -0.29 0.55 -0.64 1.25 4.39 -1.11 0.14 114.58 118.87 1q3k h GLU 243 Ca 0.06 -0.08 0.04 0.00 0.34 0.00 0.00 59.36 59.72 1q3k h GLU 243 Cb 0.38 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 1q3k h GLU 243 CO -0.19 0.47 0.38 0.28 -1.16 0.00 0.00 179.01 178.80 1q3k h VAL 244 N 0.49 1.05 0.17 3.13 2.07 -0.83 -0.70 116.25 121.64 1q3k h VAL 244 Ca 0.13 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1q3k h VAL 244 Cb 0.10 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1q3k h VAL 244 CO -0.02 0.14 -0.08 0.00 0.02 0.00 0.00 177.57 177.63 1q3k h VAL 246 N -0.71 0.73 -0.08 0.00 2.07 -0.63 -0.12 116.25 117.51 1q3k h VAL 246 Ca -0.02 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 1q3k h VAL 246 Cb 0.50 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1q3k h VAL 246 CO 0.04 0.09 -0.25 -0.61 0.02 0.00 0.00 177.57 176.87 1q3k h GLN 247 N 0.52 0.30 -0.74 1.57 5.75 -1.17 -1.10 115.11 120.24 1q3k h GLN 247 Ca 0.40 -0.22 -0.03 0.00 -0.15 0.00 0.00 58.65 58.65 1q3k h GLN 247 Cb 0.54 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.10 1q3k h GLN 247 CO -0.35 0.85 0.35 0.78 -2.65 0.00 0.00 178.83 177.81 1q3k h GLY 248 N -0.19 1.14 0.80 2.39 0.00 -1.07 -1.31 103.07 104.84 1q3k h GLY 248 Ca -0.01 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 46.67 1q3k h GLY 248 CO 0.05 0.54 -0.23 -2.22 0.00 0.00 0.00 176.54 174.69 1q3k h ILE 249 N 1.04 1.35 -0.74 2.60 2.04 -1.10 -1.47 117.51 121.23 1q3k h ILE 249 Ca 0.25 -1.43 0.12 0.00 1.00 0.00 0.00 64.86 64.81 1q3k h ILE 249 Cb 0.12 1.88 -0.08 0.00 -0.74 0.00 0.00 36.82 38.00 1q3k h ILE 249 CO -0.03 0.43 0.33 0.00 0.00 0.00 0.00 178.15 178.88 1q3k h ALA 250 N 0.60 1.04 -0.43 1.87 0.00 -1.06 0.58 119.26 121.87 1q3k h ALA 250 Ca 0.02 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1q3k h ALA 250 Cb 0.79 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1q3k h ALA 250 CO 0.05 -0.14 -0.30 -0.44 0.00 0.00 0.00 179.25 178.43 1q3k h ASP 251 N 0.52 0.98 -0.48 0.00 3.32 -1.13 -2.21 116.42 117.41 1q3k h ASP 251 Ca 0.39 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1q3k h ASP 251 Cb 0.52 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1q3k h ASP 251 CO -0.34 1.19 0.28 0.00 -1.72 0.00 0.00 179.24 178.64 1q3k h ALA 252 N 0.86 0.61 -0.51 3.45 0.00 -0.24 -0.52 119.26 122.91 1q3k h ALA 252 Ca 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1q3k h ALA 252 Cb 0.87 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1q3k h ALA 252 CO 0.08 0.12 0.26 0.82 0.00 0.00 0.00 179.25 180.53 1q3k h ILE 253 N 0.64 1.17 -0.74 0.00 2.04 -0.83 0.69 117.51 120.47 1q3k h ILE 253 Ca 0.17 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1q3k h ILE 253 Cb 0.02 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 1q3k h ILE 253 CO -0.03 0.19 0.37 1.23 0.00 0.00 0.00 178.15 179.91 1q3k h GLY 254 N 0.80 1.13 0.61 5.37 0.00 -0.67 0.59 103.07 110.90 1q3k h GLY 254 Ca 0.18 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1q3k h GLY 254 CO -0.03 0.52 -0.14 1.46 0.00 0.00 0.00 176.54 178.35 1q3k h GLN 255 N 1.03 -0.38 -0.36 4.80 1.08 0.30 -2.98 115.11 118.59 1q3k h GLN 255 Ca 0.26 0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.36 1q3k h GLN 255 Cb 0.09 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1q3k h GLN 255 CO -0.04 -0.04 -0.26 0.93 -0.95 0.00 0.00 178.83 178.47 1q3k h GLU 256 N -0.79 0.75 -2.28 1.46 4.39 -0.89 -3.33 114.58 113.89 1q3k h GLU 256 Ca -0.04 -0.32 -0.62 0.00 0.34 0.00 0.00 59.36 58.72 1q3k h GLU 256 Cb 0.51 -0.03 -0.40 0.00 -0.10 0.00 0.00 28.75 28.73 1q3k h GLU 256 CO 0.07 0.93 -0.42 1.19 -1.16 0.00 0.00 179.01 179.61 1q3k n PHE 257 N -4.10 3.78 -1.69 4.33 0.99 0.21 -5.07 117.46 115.91 1q3k n PHE 257 Ca -0.00 -3.86 -0.45 0.00 -0.00 0.00 0.00 57.45 53.14 1q3k n PHE 257 Cb 0.45 -0.60 -0.04 0.00 -1.00 0.00 0.00 39.48 38.29 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 0.11 2.39 -1.67 -1.08 -0.02 -1.13 -4.71 135.00 128.89 1q3k n PRO 258 Ca 0.32 0.86 -0.44 0.00 -2.02 0.00 0.00 63.50 62.23 1q3k n PRO 258 Cb 0.38 -2.66 -0.01 0.00 -0.02 0.00 0.00 33.50 31.18 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 3.76 1.96 0.00 0.52 -0.02 -1.26 -5.07 135.00 134.89 1q3k n PRO 259 Ca 0.17 0.69 0.13 0.00 -2.02 0.00 0.00 63.50 62.47 1q3k n PRO 259 Cb 0.31 -2.26 0.32 0.00 -0.02 0.00 0.00 33.50 31.85 1q3k n PRO 259 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89