#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 0.78 -2.75 -1.46 4.76 -1.26 -4.93 118.16 113.30 1q3k n LYS 3 Ca 0.00 -1.69 -0.35 0.00 -2.87 0.00 0.00 58.31 53.40 1q3k n LYS 3 Cb 0.00 -3.17 -0.06 0.00 -1.84 0.00 0.00 35.03 29.95 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 6.65 6.98 0.00 4.39 0.15 -1.26 -4.96 113.70 125.64 1q3k s SER 4 Ca 0.68 1.79 0.26 0.00 0.70 0.00 0.00 55.95 59.39 1q3k s SER 4 Cb 0.07 -2.56 0.66 0.00 -1.71 0.00 0.00 66.02 62.49 1q3k s SER 4 CO 0.21 -0.33 1.51 1.33 1.20 0.00 0.00 173.24 177.16 1q3k n VAL 5 N -0.25 0.00 -3.01 4.45 0.24 -1.26 -4.84 118.33 113.66 1q3k n VAL 5 Ca 0.05 -0.13 -0.42 0.00 -2.04 0.00 0.00 64.34 61.81 1q3k n VAL 5 Cb 0.52 0.47 -0.06 0.00 -1.47 0.00 0.00 33.84 33.30 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 -2.54 3.12 0.32 6.34 0.40 -1.26 0.69 117.98 125.06 1q3k s PHE 6 Ca 0.23 0.46 0.11 0.00 -0.60 0.00 0.00 56.93 57.12 1q3k s PHE 6 Cb 0.19 -3.31 0.95 0.00 0.51 0.00 0.00 43.02 41.36 1q3k s PHE 6 CO 0.54 -0.70 1.69 0.28 0.70 0.00 0.00 175.22 177.73 1q3k h VAL 7 N 5.73 0.41 0.00 -0.44 2.07 -1.68 0.43 116.25 122.76 1q3k h VAL 7 Ca -0.25 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1q3k h VAL 7 Cb 1.10 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1q3k h VAL 7 CO 0.88 0.08 0.00 1.23 0.02 0.00 0.00 177.57 179.78 1q3k h GLY 8 N 0.42 0.00 -1.81 2.17 0.00 -1.93 -1.80 103.07 100.12 1q3k h GLY 8 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.00 1q3k h GLY 8 CO -0.55 0.00 -0.01 1.18 0.00 0.00 0.00 176.54 177.15 1q3k n GLU 9 N -2.78 2.15 -3.12 4.80 1.02 0.15 -4.96 120.64 117.90 1q3k n GLU 9 Ca -0.02 -1.84 -0.20 0.00 -0.02 0.00 0.00 57.16 55.08 1q3k n GLU 9 Cb 0.11 -1.44 0.01 0.00 -0.02 0.00 0.00 31.44 30.10 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 -1.92 3.72 0.52 -4.62 1.43 -0.68 -4.98 118.68 112.15 1q3k s LEU 10 Ca 0.26 -0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1q3k s LEU 10 Cb 0.19 -2.88 0.01 0.00 0.03 0.00 0.00 46.19 43.54 1q3k s LEU 10 CO 0.29 -0.67 0.75 0.42 0.23 0.00 0.00 176.35 177.37 1q3k s THR 11 N -2.41 3.38 0.31 5.49 -4.23 -1.26 -4.97 115.64 111.95 1q3k s THR 11 Ca 0.49 -0.49 0.07 0.00 -1.18 0.00 0.00 61.69 60.58 1q3k s THR 11 Cb -0.10 -3.28 0.06 0.00 1.34 0.00 0.00 72.50 70.53 1q3k s THR 11 CO 0.35 -0.21 1.74 4.11 -0.54 0.00 0.00 174.62 180.07 1q3k h TRP 12 N 0.16 0.30 -0.36 3.99 5.08 -1.99 -2.21 115.95 120.93 1q3k h TRP 12 Ca -0.44 -0.07 -0.02 0.00 1.08 0.00 0.00 58.89 59.44 1q3k h TRP 12 Cb 1.27 -0.07 -0.02 0.00 -3.00 0.00 0.00 29.16 27.34 1q3k h TRP 12 CO 0.42 0.58 0.15 0.87 -1.28 0.00 0.00 178.44 179.18 1q3k h LYS 13 N 0.23 0.53 -0.67 0.12 1.79 -1.98 1.06 116.57 117.64 1q3k h LYS 13 Ca 0.03 -0.09 0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1q3k h LYS 13 Cb 0.72 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.24 1q3k h LYS 13 CO 0.05 0.50 0.45 0.93 -1.08 0.00 0.00 179.45 180.30 1q3k h GLU 14 N 0.44 0.89 -0.11 3.15 5.08 -1.89 -1.82 114.58 120.31 1q3k h GLU 14 Ca 0.12 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1q3k h GLU 14 Cb 0.16 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1q3k h GLU 14 CO -0.01 0.59 0.03 -0.92 -1.00 0.00 0.00 179.01 177.69 1q3k h TYR 15 N 0.91 0.19 -0.85 4.33 3.20 -0.89 -1.73 116.97 122.13 1q3k h TYR 15 Ca 0.25 -0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.30 1q3k h TYR 15 Cb -0.10 -0.05 -0.12 0.00 1.54 0.00 0.00 36.73 37.99 1q3k h TYR 15 CO -0.03 0.34 0.30 1.49 -1.64 0.00 0.00 178.16 178.62 1q3k h GLU 16 N -0.02 0.32 0.15 1.82 4.81 0.14 -1.16 114.58 120.64 1q3k h GLU 16 Ca 0.04 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1q3k h GLU 16 Cb 0.25 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1q3k h GLU 16 CO 0.00 0.21 -0.07 0.00 -0.73 0.00 0.00 179.01 178.42 1q3k h ALA 17 N 1.69 -0.20 -0.89 2.92 0.00 -0.98 -0.49 119.26 121.31 1q3k h ALA 17 Ca 0.51 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.42 1q3k h ALA 17 Cb 0.96 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 1q3k h ALA 17 CO -0.55 -0.53 0.53 0.00 0.00 0.00 0.00 179.25 178.70 1q3k h ARG 18 N -0.36 0.83 -0.23 0.00 2.47 -0.43 0.68 114.38 117.34 1q3k h ARG 18 Ca -0.02 -0.05 -0.08 0.00 -1.26 0.00 0.00 59.98 58.56 1q3k h ARG 18 Cb 0.29 -0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 28.42 1q3k h ARG 18 CO 0.03 0.55 -0.19 0.28 0.56 0.00 0.00 179.97 181.20 1q3k h VAL 19 N 0.85 1.32 0.00 2.04 2.07 -1.15 -3.13 116.25 118.25 1q3k h VAL 19 Ca 0.44 -1.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 1q3k h VAL 19 Cb 0.43 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1q3k h VAL 19 CO -0.26 0.41 -0.10 0.00 0.02 0.00 0.00 177.57 177.64 1q3k h ALA 20 N 0.68 1.44 0.00 1.67 0.00 -0.34 -2.52 119.26 120.20 1q3k h ALA 20 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1q3k h ALA 20 Cb 0.73 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1q3k h ALA 20 CO 0.05 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.42 1q3k n ALA 21 N -2.34 1.55 0.00 0.00 0.00 0.16 -4.97 120.51 114.91 1q3k n ALA 21 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1q3k n ALA 21 Cb 0.19 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.33 0.91 3.99 0.00 0.00 -0.95 -4.95 105.19 103.86 1q3k n GLY 22 Ca 0.03 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.39 -0.32 -4.68 1.61 5.68 -1.26 -4.90 116.55 112.29 1q3k n ASP 23 Ca 0.00 -1.04 -0.41 0.00 -0.50 0.00 0.00 54.79 52.84 1q3k n ASP 23 Cb 0.00 -1.31 -0.04 0.00 -1.14 0.00 0.00 41.12 38.63 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 1.93 5.19 0.06 0.00 1.01 -1.26 -4.29 120.40 123.04 1q3k s VAL 25 Ca 0.39 0.91 0.04 0.00 0.00 0.00 0.00 61.98 63.33 1q3k s VAL 25 Cb -0.17 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1q3k s VAL 25 CO 0.14 0.35 -0.01 -0.76 0.00 0.00 0.00 175.10 174.81 1q3k s LEU 26 N 0.51 3.42 -0.06 3.92 2.01 -0.30 -1.50 118.68 126.69 1q3k s LEU 26 Ca 0.25 -0.15 0.02 0.00 0.01 0.00 0.00 54.13 54.27 1q3k s LEU 26 Cb -0.15 -2.10 0.01 0.00 0.01 0.00 0.00 46.19 43.96 1q3k s LEU 26 CO 0.10 0.21 -0.12 -0.04 1.01 0.00 0.00 176.35 177.51 1q3k s MET 27 N -2.05 1.64 -0.32 1.70 -1.94 0.26 -0.38 119.30 118.21 1q3k s MET 27 Ca 0.23 -0.41 -0.00 0.00 -1.71 0.00 0.00 55.69 53.80 1q3k s MET 27 Cb -0.12 -1.37 0.07 0.00 2.01 0.00 0.00 34.83 35.43 1q3k s MET 27 CO 0.15 0.04 0.03 -1.17 -0.01 0.00 0.00 175.02 174.06 1q3k s LEU 28 N 0.62 4.26 0.16 -0.03 2.96 0.66 -0.21 118.68 127.11 1q3k s LEU 28 Ca -0.13 -1.61 -0.30 0.00 -0.22 0.00 0.00 54.13 51.87 1q3k s LEU 28 Cb -0.15 -1.70 -0.08 0.00 0.50 0.00 0.00 46.19 44.76 1q3k s LEU 28 CO 0.03 -0.33 1.32 -2.84 -1.32 0.00 0.00 176.35 173.21 1q3k s PRO 29 N 1.14 4.38 -0.20 0.98 0.02 -1.26 -1.57 135.00 138.49 1q3k s PRO 29 Ca -0.00 2.02 0.01 0.00 0.02 0.00 0.00 61.00 63.05 1q3k s PRO 29 Cb -0.20 -3.23 0.05 0.00 0.02 0.00 0.00 34.50 31.14 1q3k s PRO 29 CO -0.04 -0.30 -0.09 0.08 -0.33 0.00 0.00 177.00 176.33 1q3k s VAL 30 N 0.48 1.56 0.00 3.83 1.01 -0.61 -0.36 120.40 126.31 1q3k s VAL 30 Ca 0.59 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1q3k s VAL 30 Cb -0.36 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1q3k s VAL 30 CO 0.35 0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1q3k n GLY 31 N 4.70 4.64 3.60 4.51 0.00 -0.36 -0.21 105.19 122.07 1q3k n GLY 31 Ca -0.14 -0.93 -0.05 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.92 -0.36 4.61 0.00 -1.23 -2.57 121.76 118.28 1q3k s ALA 32 Ca 0.00 0.94 -0.02 0.00 0.00 0.00 0.00 51.96 52.89 1q3k s ALA 32 Cb 0.00 0.31 0.09 0.00 0.00 0.00 0.00 23.12 23.52 1q3k s ALA 32 CO 0.00 -0.79 0.12 -1.17 0.00 0.00 0.00 175.76 173.91 1q3k s LEU 33 N -2.57 4.74 -0.04 0.00 2.96 -1.07 -4.01 118.68 118.68 1q3k s LEU 33 Ca 0.09 -1.80 -0.05 0.00 -0.22 0.00 0.00 54.13 52.16 1q3k s LEU 33 Cb -0.00 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.93 1q3k s LEU 33 CO -0.05 -0.43 0.12 -0.70 -1.32 0.00 0.00 176.35 173.98 1q3k s GLU 34 N 1.15 0.18 0.32 1.98 2.12 -0.20 -0.85 118.70 123.40 1q3k s GLU 34 Ca 0.04 0.12 -0.29 0.00 0.36 0.00 0.00 54.97 55.20 1q3k s GLU 34 Cb -0.21 0.08 -0.12 0.00 0.26 0.00 0.00 34.13 34.14 1q3k s GLU 34 CO -0.04 -0.03 1.38 0.00 -0.54 0.00 0.00 175.26 176.04 1q3k n GLN 35 N 2.87 2.28 -2.57 4.30 -0.00 -1.26 -4.24 117.38 118.76 1q3k n GLN 35 Ca -0.13 0.80 -0.17 0.00 -0.00 0.00 0.00 57.00 57.50 1q3k n GLN 35 Cb 0.59 -2.45 0.02 0.00 -0.00 0.00 0.00 30.24 28.40 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 0.84 2.16 -4.09 2.61 8.25 -1.26 -4.96 115.22 118.76 1q3k n HIS 36 Ca 0.06 -2.87 0.00 0.00 -0.26 0.00 0.00 57.72 54.65 1q3k n HIS 36 Cb 0.36 -0.25 -0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 -0.29 -1.94 0.11 -1.41 0.00 -1.24 -3.68 105.19 96.74 1q3k n GLY 37 Ca 0.23 -1.37 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 -0.32 0.94 0.69 1.61 8.25 -1.25 -4.19 115.22 120.95 1q3k n HIS 38 Ca 0.00 0.27 0.09 0.00 -0.26 0.00 0.00 57.72 57.83 1q3k n HIS 38 Cb 0.00 -0.94 -0.12 0.00 1.12 0.00 0.00 29.99 30.05 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 -2.28 0.00 -4.41 4.41 1.44 -1.26 -4.82 115.22 108.29 1q3k n HIS 39 Ca 0.05 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.56 1q3k n HIS 39 Cb 0.44 -0.10 -0.10 0.00 0.12 0.00 0.00 29.99 30.34 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 -2.92 1.54 0.87 -1.40 1.00 -1.24 -0.37 119.30 116.77 1q3k s MET 40 Ca 0.04 -1.81 -0.12 0.00 0.00 0.00 0.00 55.69 53.80 1q3k s MET 40 Cb 0.14 -0.93 0.14 0.00 0.00 0.00 0.00 34.83 34.19 1q3k s MET 40 CO 0.79 -0.07 1.21 0.00 0.00 0.00 0.00 175.02 176.95 1q3k n MET 42 N -3.45 0.92 -0.33 0.00 0.00 -1.26 -4.20 117.12 108.80 1q3k n MET 42 Ca 0.12 -0.64 0.08 0.00 0.00 0.00 0.00 57.70 57.26 1q3k n MET 42 Cb 0.60 -1.49 0.24 0.00 0.00 0.00 0.00 33.22 32.58 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 -0.48 3.09 -0.26 7.83 0.23 -1.26 -1.03 115.26 123.38 1q3k n ASN 43 Ca 0.11 -2.10 -0.05 0.00 -0.53 0.00 0.00 54.58 52.01 1q3k n ASN 43 Cb 0.39 -0.40 0.01 0.00 -2.08 0.00 0.00 39.78 37.70 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 3.09 0.10 0.00 3.53 2.07 -1.81 0.12 116.25 123.36 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 0.84 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1q3k h VAL 44 CO 0.05 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.11 1q3k n ASP 45 N -5.44 0.29 -0.12 0.57 9.92 -1.26 -1.07 116.55 119.44 1q3k n ASP 45 Ca 0.06 0.63 -0.26 0.00 -0.53 0.00 0.00 54.79 54.69 1q3k n ASP 45 Cb 0.37 -0.67 -0.11 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 -1.89 1.54 0.01 2.53 0.31 0.32 -3.96 118.33 117.20 1q3k n VAL 46 Ca -0.00 -0.35 -0.10 0.00 -0.01 0.00 0.00 64.34 63.87 1q3k n VAL 46 Cb 0.04 -1.83 -0.04 0.00 -0.91 0.00 0.00 33.84 31.10 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 -0.76 -0.29 0.74 7.52 3.38 -0.63 -0.97 115.31 124.31 1q3k h LEU 47 Ca -0.58 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 1q3k h LEU 47 Cb 1.62 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.51 1q3k h LEU 47 CO -0.28 -0.13 -0.48 -0.07 0.09 0.00 0.00 178.44 177.56 1q3k h LEU 48 N -0.12 -1.24 -1.90 1.67 3.38 -1.35 0.11 115.31 115.85 1q3k h LEU 48 Ca 0.06 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1q3k h LEU 48 Cb 0.22 0.37 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1q3k h LEU 48 CO -0.16 -0.73 -0.08 1.55 0.09 0.00 0.00 178.44 179.11 1q3k h PRO 49 N -1.15 0.00 -0.27 1.13 0.13 -1.75 -1.56 132.00 128.54 1q3k h PRO 49 Ca -0.10 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.00 1q3k h PRO 49 Cb 0.93 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 1q3k h PRO 49 CO 0.08 0.08 0.04 1.15 -0.23 0.00 0.00 178.00 179.12 1q3k h THR 50 N 0.00 1.23 -0.40 1.56 2.02 -0.77 -0.73 112.91 115.81 1q3k h THR 50 Ca -0.00 -0.79 0.01 0.00 0.77 0.00 0.00 66.41 66.40 1q3k h THR 50 Cb 0.15 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 1q3k h THR 50 CO 0.01 0.25 0.24 0.00 0.37 0.00 0.00 175.52 176.40 1q3k h ALA 51 N 0.86 0.51 -0.51 6.16 0.00 -0.07 -0.52 119.26 125.69 1q3k h ALA 51 Ca 0.08 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1q3k h ALA 51 Cb 0.34 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1q3k h ALA 51 CO 0.01 -0.08 0.01 0.28 0.00 0.00 0.00 179.25 179.46 1q3k h VAL 52 N 0.49 1.25 0.08 0.00 2.07 -1.22 -2.51 116.25 116.41 1q3k h VAL 52 Ca 0.16 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 1q3k h VAL 52 Cb -0.01 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1q3k h VAL 52 CO -0.07 0.36 -0.04 0.00 0.02 0.00 0.00 177.57 177.85 1q3k h GLN 54 N -0.20 0.10 -0.15 0.00 4.15 -0.92 0.44 115.11 118.52 1q3k h GLN 54 Ca -0.01 -0.01 -0.18 0.00 0.77 0.00 0.00 58.65 59.22 1q3k h GLN 54 Cb 0.17 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.84 1q3k h GLN 54 CO 0.02 0.07 -0.66 0.00 -1.93 0.00 0.00 178.83 176.32 1q3k h ARG 55 N 0.10 0.59 -0.40 1.69 3.08 -1.40 -0.92 114.38 117.12 1q3k h ARG 55 Ca 0.30 -0.43 -0.13 0.00 0.07 0.00 0.00 59.98 59.80 1q3k h ARG 55 Cb 0.48 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1q3k h ARG 55 CO -0.52 1.05 -0.26 0.28 -1.07 0.00 0.00 179.97 179.46 1q3k h VAL 56 N 0.43 1.27 -0.65 2.04 2.07 -0.30 -2.49 116.25 118.62 1q3k h VAL 56 Ca -0.02 -1.40 -0.06 0.00 0.82 0.00 0.00 66.70 66.04 1q3k h VAL 56 Cb 1.24 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 1q3k h VAL 56 CO 0.13 0.47 0.17 0.00 0.02 0.00 0.00 177.57 178.36 1q3k h ALA 57 N 0.98 0.85 -0.76 1.67 0.00 0.01 -0.01 119.26 122.00 1q3k h ALA 57 Ca 0.09 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1q3k h ALA 57 Cb 0.80 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1q3k h ALA 57 CO 0.07 0.56 0.49 0.93 0.00 0.00 0.00 179.25 181.30 1q3k h GLU 58 N 0.95 0.95 -0.26 0.00 5.08 -1.07 0.65 114.58 120.88 1q3k h GLU 58 Ca 0.21 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.33 1q3k h GLU 58 Cb 0.34 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1q3k h GLU 58 CO -0.00 0.63 -0.54 0.00 -1.00 0.00 0.00 179.01 178.09 1q3k h ARG 59 N 0.97 0.79 -0.26 2.33 2.47 -1.02 -3.31 114.38 116.35 1q3k h ARG 59 Ca 0.30 -0.50 0.00 0.00 -1.26 0.00 0.00 59.98 58.52 1q3k h ARG 59 Cb -0.03 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1q3k h ARG 59 CO -0.10 1.12 0.00 0.44 0.56 0.00 0.00 179.97 182.00 1q3k n ILE 60 N -3.99 0.53 -2.88 2.04 -5.35 -0.06 -5.00 119.36 104.66 1q3k n ILE 60 Ca -0.04 -0.77 -0.10 0.00 -0.27 0.00 0.00 62.75 61.57 1q3k n ILE 60 Cb 0.62 0.88 0.04 0.00 -1.74 0.00 0.00 39.64 39.44 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 0.14 3.91 3.28 0.00 0.21 -5.03 105.19 108.56 1q3k n GLY 61 Ca 0.12 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.16 4.33 0.07 4.61 0.00 -0.03 -4.78 121.76 122.80 1q3k s ALA 62 Ca 0.15 -1.60 0.08 0.00 0.00 0.00 0.00 51.96 50.59 1q3k s ALA 62 Cb -0.07 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 1q3k s ALA 62 CO 0.36 -0.43 -0.19 -0.51 0.00 0.00 0.00 175.76 174.99 1q3k s LEU 63 N -4.27 2.60 -0.15 0.00 1.43 -0.56 -4.68 118.68 113.05 1q3k s LEU 63 Ca 0.42 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1q3k s LEU 63 Cb -0.03 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 1q3k s LEU 63 CO 0.26 0.23 -0.14 -0.69 0.23 0.00 0.00 176.35 176.23 1q3k s VAL 64 N -1.00 2.82 0.50 -1.59 1.01 0.22 -0.57 120.40 121.79 1q3k s VAL 64 Ca 0.16 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 1q3k s VAL 64 Cb -0.10 -2.19 -0.06 0.00 0.00 0.00 0.00 36.38 34.03 1q3k s VAL 64 CO 0.07 0.52 0.90 -0.76 0.00 0.00 0.00 175.10 175.82 1q3k s LEU 65 N 0.64 3.58 0.28 3.92 1.43 0.71 -1.82 118.68 127.42 1q3k s LEU 65 Ca -0.08 1.29 -0.30 0.00 -1.03 0.00 0.00 54.13 54.01 1q3k s LEU 65 Cb -0.16 -4.24 -0.13 0.00 0.03 0.00 0.00 46.19 41.69 1q3k s LEU 65 CO 0.03 -0.61 1.36 -2.65 0.23 0.00 0.00 176.35 174.71 1q3k n PRO 66 N -1.93 2.08 -2.40 1.29 -0.02 -1.26 -4.45 135.00 128.31 1q3k n PRO 66 Ca 0.04 0.74 -0.32 0.00 -2.02 0.00 0.00 63.50 61.93 1q3k n PRO 66 Cb 0.54 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 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 0.06 2.15 -0.59 -1.23 0.00 -1.26 -4.74 107.32 101.71 1q3k s GLY 67 Ca 0.63 0.28 -0.28 0.00 0.00 0.00 0.00 44.72 45.35 1q3k s GLY 67 CO 0.54 0.57 1.46 1.08 0.00 0.00 0.00 173.10 176.75 1q3k s LEU 68 N -3.99 3.36 0.43 0.66 1.43 0.51 -4.86 118.68 116.22 1q3k s LEU 68 Ca 0.61 0.21 0.21 0.00 -1.03 0.00 0.00 54.13 54.12 1q3k s LEU 68 Cb -0.11 -2.93 0.99 0.00 0.03 0.00 0.00 46.19 44.17 1q3k s LEU 68 CO 0.29 -1.81 1.89 1.56 0.23 0.00 0.00 176.35 178.51 1q3k h GLN 69 N 11.44 0.00 -5.45 1.70 1.08 -1.88 -0.95 115.11 121.05 1q3k h GLN 69 Ca -0.27 0.00 -0.68 0.00 -1.45 0.00 0.00 58.65 56.25 1q3k h GLN 69 Cb 1.10 0.00 -0.33 0.00 -0.05 0.00 0.00 27.48 28.20 1q3k h GLN 69 CO 1.19 0.26 -0.88 0.71 -0.95 0.00 0.00 178.83 179.17 1q3k s TYR 70 N -4.00 2.55 0.03 2.96 1.51 -1.26 -2.61 117.35 116.53 1q3k s TYR 70 Ca -0.02 -0.98 0.00 0.00 -1.01 0.00 0.00 57.07 55.06 1q3k s TYR 70 Cb 0.13 -1.70 0.00 0.00 -0.11 0.00 0.00 41.96 40.28 1q3k s TYR 70 CO 0.66 -0.38 0.01 0.41 -1.11 0.00 0.00 175.55 175.13 1q3k n GLY 71 N 3.42 3.90 3.72 0.71 0.00 -1.06 -4.76 105.19 111.12 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 -0.90 2.17 0.15 1.61 5.04 -1.26 -0.57 117.35 123.59 1q3k s TYR 72 Ca 0.00 1.63 -0.34 0.00 -2.44 0.00 0.00 57.07 55.92 1q3k s TYR 72 Cb -0.00 -3.17 -0.15 0.00 0.35 0.00 0.00 41.96 38.99 1q3k s TYR 72 CO 0.00 -2.25 1.33 1.63 -1.34 0.00 0.00 175.55 174.92 1q3k n LYS 73 N -3.84 1.45 -1.98 4.97 5.02 -1.24 -4.67 118.16 117.87 1q3k n LYS 73 Ca 0.10 0.52 -0.41 0.00 -2.02 0.00 0.00 58.31 56.49 1q3k n LYS 73 Cb 0.53 -2.14 -0.02 0.00 -0.02 0.00 0.00 35.03 33.38 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 0.37 6.62 -0.08 4.39 0.15 -1.26 -4.87 113.70 119.01 1q3k s SER 74 Ca 0.77 2.70 -0.03 0.00 0.70 0.00 0.00 55.95 60.09 1q3k s SER 74 Cb -0.83 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 60.82 1q3k s SER 74 CO 0.47 -0.73 0.08 -1.10 1.20 0.00 0.00 173.24 173.16 1q3k s GLN 75 N -0.29 3.18 0.17 5.44 -1.52 -1.26 -2.05 119.66 123.34 1q3k s GLN 75 Ca 0.60 -0.32 -0.22 0.00 -1.95 0.00 0.00 55.36 53.48 1q3k s GLN 75 Cb -0.43 -2.96 0.08 0.00 -0.22 0.00 0.00 33.01 29.48 1q3k s GLN 75 CO 0.43 0.72 1.60 0.37 -0.25 0.00 0.00 175.29 178.16 1q3k h GLN 76 N 4.81 -0.21 0.00 2.91 4.15 -1.90 0.39 115.11 125.26 1q3k h GLN 76 Ca -0.52 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1q3k h GLN 76 Cb 1.20 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.94 1q3k h GLN 76 CO 0.58 -0.14 0.00 1.63 -1.93 0.00 0.00 178.83 178.97 1q3k n LYS 77 N -5.42 0.59 0.00 1.69 5.02 -1.26 -1.83 118.16 116.94 1q3k n LYS 77 Ca 0.02 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1q3k n LYS 77 Cb 0.34 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 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 -1.03 0.69 0.00 4.39 3.41 -0.66 -4.48 113.62 115.93 1q3k n SER 78 Ca 0.14 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1q3k n SER 78 Cb 0.08 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.41 -0.84 0.62 5.00 0.00 0.13 -4.58 105.19 105.92 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 2.91 0.00 -0.02 0.00 -0.76 -4.82 105.19 102.51 1q3k n GLY 80 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 3.31 0.88 -0.02 0.00 -1.16 -4.39 105.19 103.81 1q3k n GLY 81 Ca 0.00 -1.75 0.03 0.00 0.00 0.00 0.00 46.02 44.31 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 2.42 0.05 1.61 2.85 -0.87 -3.50 115.26 117.82 1q3k n ASN 82 Ca 0.00 -2.25 0.11 0.00 -0.11 0.00 0.00 54.58 52.34 1q3k n ASN 82 Cb 0.00 -0.45 0.03 0.00 1.24 0.00 0.00 39.78 40.59 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 0.27 0.46 -2.15 1.20 1.44 -1.26 -4.92 115.22 110.26 1q3k n HIS 83 Ca 0.10 0.13 -0.39 0.00 -2.01 0.00 0.00 57.72 55.55 1q3k n HIS 83 Cb 0.50 -0.60 -0.01 0.00 0.12 0.00 0.00 29.99 29.99 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 -3.26 2.97 0.78 -1.40 0.40 -1.23 -5.01 117.98 111.23 1q3k s PHE 84 Ca 0.02 1.47 -0.11 0.00 -0.60 0.00 0.00 56.93 57.71 1q3k s PHE 84 Cb 0.13 -3.57 0.06 0.00 0.51 0.00 0.00 43.02 40.15 1q3k s PHE 84 CO 0.79 -1.75 1.09 -2.14 0.70 0.00 0.00 175.22 173.92 1q3k s PRO 85 N -2.14 2.19 0.00 0.24 0.02 -1.26 -3.72 135.00 130.32 1q3k s PRO 85 Ca 0.55 1.17 0.00 0.00 0.02 0.00 0.00 61.00 62.74 1q3k s PRO 85 Cb -0.36 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.27 1q3k s PRO 85 CO 0.46 -1.69 0.00 0.41 -0.33 0.00 0.00 177.00 175.85 1q3k n GLY 86 N -1.17 1.99 3.71 0.52 0.00 -1.26 -4.62 105.19 104.36 1q3k n GLY 86 Ca 0.09 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.08 2.75 -0.31 2.61 -1.32 -1.24 -4.63 115.64 113.42 1q3k s THR 87 Ca 0.00 0.50 0.00 0.00 -1.21 0.00 0.00 61.69 60.98 1q3k s THR 87 Cb 0.00 -3.32 0.10 0.00 -1.51 0.00 0.00 72.50 67.77 1q3k s THR 87 CO 0.00 0.03 0.08 -0.89 -2.21 0.00 0.00 174.62 171.63 1q3k s THR 88 N 1.37 1.16 0.25 5.08 2.01 -0.03 -4.96 115.64 120.52 1q3k s THR 88 Ca 0.70 -1.56 0.07 0.00 0.31 0.00 0.00 61.69 61.22 1q3k s THR 88 Cb -0.42 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 1q3k s THR 88 CO 0.31 -0.63 0.16 -0.44 -0.69 0.00 0.00 174.62 173.33 1q3k s SER 89 N 1.48 5.34 0.30 3.53 0.01 -1.26 -4.43 113.70 118.68 1q3k s SER 89 Ca 0.09 -0.32 0.06 0.00 1.31 0.00 0.00 55.95 57.10 1q3k s SER 89 Cb -0.18 -1.30 -0.02 0.00 0.21 0.00 0.00 66.02 64.73 1q3k s SER 89 CO -0.21 -0.03 0.39 -0.76 0.41 0.00 0.00 173.24 173.05 1q3k s LEU 90 N -3.79 3.99 0.62 2.44 1.43 0.26 -4.90 118.68 118.73 1q3k s LEU 90 Ca 0.32 -0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 53.11 1q3k s LEU 90 Cb -0.08 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 1q3k s LEU 90 CO 0.24 -0.30 1.04 -1.81 0.23 0.00 0.00 176.35 175.75 1q3k s ASP 91 N -4.07 5.84 0.22 2.29 1.11 -1.26 -3.61 116.67 117.18 1q3k s ASP 91 Ca 0.41 1.67 -0.08 0.00 0.18 0.00 0.00 52.55 54.73 1q3k s ASP 91 Cb -0.09 -2.51 0.31 0.00 1.07 0.00 0.00 42.92 41.71 1q3k s ASP 91 CO 0.29 -1.13 1.77 1.23 1.18 0.00 0.00 175.17 178.51 1q3k h GLY 92 N 0.05 0.99 1.61 0.21 0.00 -1.98 -1.92 103.07 102.03 1q3k h GLY 92 Ca -0.45 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 46.63 1q3k h GLY 92 CO 0.58 0.03 -0.08 0.00 0.00 0.00 0.00 176.54 177.08 1q3k h ALA 93 N 1.42 1.32 -0.24 3.60 0.00 -1.98 -0.38 119.26 122.99 1q3k h ALA 93 Ca 0.33 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1q3k h ALA 93 Cb 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1q3k h ALA 93 CO -0.28 0.46 -0.43 1.15 0.00 0.00 0.00 179.25 180.15 1q3k h THR 94 N 0.46 1.30 0.01 0.00 2.02 -1.74 -0.20 112.91 114.75 1q3k h THR 94 Ca 0.09 -1.64 -0.00 0.00 0.77 0.00 0.00 66.41 65.63 1q3k h THR 94 Cb 0.42 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1q3k h THR 94 CO 0.02 0.52 -0.00 0.25 0.37 0.00 0.00 175.52 176.68 1q3k h LEU 95 N 0.45 -0.01 -0.92 2.58 5.85 -1.08 -1.61 115.31 120.58 1q3k h LEU 95 Ca 0.02 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.49 1q3k h LEU 95 Cb 1.03 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 1q3k h LEU 95 CO 0.10 0.30 0.58 0.74 -0.34 0.00 0.00 178.44 179.82 1q3k h THR 96 N -0.32 1.08 -0.18 1.05 2.02 -1.03 -2.47 112.91 113.06 1q3k h THR 96 Ca -0.00 -0.37 -0.17 0.00 0.77 0.00 0.00 66.41 66.64 1q3k h THR 96 Cb 0.31 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 1q3k h THR 96 CO 0.00 0.20 -0.58 1.23 0.37 0.00 0.00 175.52 176.74 1q3k h GLY 97 N 1.08 0.61 0.96 2.16 0.00 -0.86 -1.31 103.07 105.71 1q3k h GLY 97 Ca 0.39 -0.73 0.02 0.00 0.00 0.00 0.00 47.33 47.00 1q3k h GLY 97 CO -0.16 0.66 0.57 -0.84 0.00 0.00 0.00 176.54 176.77 1q3k h THR 98 N 0.42 1.19 -0.30 4.70 2.02 -0.92 0.18 112.91 120.20 1q3k h THR 98 Ca 0.00 -0.39 -0.09 0.00 0.77 0.00 0.00 66.41 66.69 1q3k h THR 98 Cb 1.13 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1q3k h THR 98 CO 0.11 0.21 -0.18 0.58 0.37 0.00 0.00 175.52 176.61 1q3k h VAL 99 N 1.15 1.30 -0.64 3.16 2.07 -1.38 -2.11 116.25 119.79 1q3k h VAL 99 Ca 0.33 -1.30 -0.08 0.00 0.82 0.00 0.00 66.70 66.47 1q3k h VAL 99 Cb -0.08 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1q3k h VAL 99 CO -0.09 0.42 0.09 -0.61 0.02 0.00 0.00 177.57 177.40 1q3k h GLN 100 N 0.41 1.06 -0.36 1.57 4.15 -0.81 -1.71 115.11 119.42 1q3k h GLN 100 Ca 0.06 -0.29 -0.11 0.00 0.77 0.00 0.00 58.65 59.09 1q3k h GLN 100 Cb 0.72 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1q3k h GLN 100 CO 0.05 0.98 -0.20 -0.44 -1.93 0.00 0.00 178.83 177.30 1q3k h ASP 101 N 0.99 0.79 -0.67 -0.69 3.32 -0.57 -2.06 116.42 117.54 1q3k h ASP 101 Ca 0.19 -0.42 -0.06 0.00 0.02 0.00 0.00 57.03 56.77 1q3k h ASP 101 Cb 0.45 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1q3k h ASP 101 CO 0.01 1.04 0.19 0.40 -1.72 0.00 0.00 179.24 179.15 1q3k h ILE 102 N 0.55 1.26 -0.55 0.35 2.04 -1.34 -0.58 117.51 119.24 1q3k h ILE 102 Ca 0.08 -0.91 -0.09 0.00 1.00 0.00 0.00 64.86 64.94 1q3k h ILE 102 Cb 0.75 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1q3k h ILE 102 CO 0.06 0.35 -0.01 0.40 0.00 0.00 0.00 178.15 178.95 1q3k h ILE 103 N 0.99 1.26 -0.79 -0.67 2.04 -1.24 -1.06 117.51 118.05 1q3k h ILE 103 Ca 0.21 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 1q3k h ILE 103 Cb 0.33 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1q3k h ILE 103 CO -0.00 0.40 0.44 -0.09 0.00 0.00 0.00 178.15 178.90 1q3k h ARG 104 N 0.85 1.09 -0.56 2.37 2.43 -1.01 0.02 114.38 119.56 1q3k h ARG 104 Ca 0.15 -0.12 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 1q3k h ARG 104 Cb 0.55 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1q3k h ARG 104 CO 0.03 0.80 -0.09 0.93 -1.51 0.00 0.00 179.97 180.13 1q3k h GLU 105 N 1.09 1.06 -0.69 0.20 4.39 -0.79 -2.15 114.58 117.68 1q3k h GLU 105 Ca 0.28 -0.38 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 1q3k h GLU 105 Cb 0.01 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 1q3k h GLU 105 CO -0.05 1.08 0.32 -0.07 -1.16 0.00 0.00 179.01 179.13 1q3k h LEU 106 N 0.94 0.92 -1.40 1.33 3.38 -0.87 0.97 115.31 120.58 1q3k h LEU 106 Ca 0.15 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1q3k h LEU 106 Cb 0.66 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1q3k h LEU 106 CO 0.05 0.81 -0.09 0.00 0.09 0.00 0.00 178.44 179.30 1q3k h ALA 107 N 1.15 1.51 -0.58 1.53 0.00 -0.81 -1.55 119.26 120.50 1q3k h ALA 107 Ca 0.24 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1q3k h ALA 107 Cb 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1q3k h ALA 107 CO -0.03 0.35 0.02 -0.09 0.00 0.00 0.00 179.25 179.50 1q3k h ARG 108 N 0.28 1.02 -0.09 0.00 2.43 -0.21 -2.64 114.38 115.17 1q3k h ARG 108 Ca 0.06 -0.31 0.01 0.00 -0.81 0.00 0.00 59.98 58.92 1q3k h ARG 108 Cb 0.33 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1q3k h ARG 108 CO 0.02 1.00 0.06 0.45 -1.51 0.00 0.00 179.97 179.98 1q3k h HIS 109 N 0.91 0.08 0.00 2.20 3.86 -0.43 -3.46 115.15 118.31 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 0.53 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1q3k h HIS 109 CO 0.04 0.05 0.00 0.41 0.86 0.00 0.00 177.93 179.29 1q3k n GLY 110 N -1.53 0.96 3.75 2.45 0.00 -0.84 -4.96 105.19 105.02 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 2.56 0.00 1.61 1.01 -0.65 -4.91 120.40 118.02 1q3k s VAL 111 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1q3k s VAL 111 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1q3k s VAL 111 CO 0.00 -0.05 0.37 0.54 0.00 0.00 0.00 175.10 175.96 1q3k n ARG 112 N -1.30 0.00 -3.69 2.72 5.12 -1.26 -4.13 116.66 114.12 1q3k n ARG 112 Ca 0.12 -0.37 -0.24 0.00 -1.93 0.00 0.00 57.85 55.43 1q3k n ARG 112 Cb 0.48 -0.39 -0.17 0.00 -1.16 0.00 0.00 32.46 31.22 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 0.24 -0.00 5.56 0.52 -1.26 -1.58 118.95 122.43 1q3k s ARG 113 Ca 0.00 0.07 0.02 0.00 -0.52 0.00 0.00 55.73 55.29 1q3k s ARG 113 Cb 0.00 -1.23 -0.01 0.00 0.52 0.00 0.00 34.95 34.24 1q3k s ARG 113 CO 0.00 -0.46 -0.06 -1.17 0.02 0.00 0.00 175.30 173.63 1q3k s LEU 114 N 2.06 2.02 -0.17 2.53 2.96 -0.91 -1.14 118.68 126.03 1q3k s LEU 114 Ca 0.03 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 1q3k s LEU 114 Cb -0.14 -0.30 0.01 0.00 0.50 0.00 0.00 46.19 46.26 1q3k s LEU 114 CO -0.06 0.06 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.16 1q3k s VAL 115 N -0.17 2.25 -0.26 1.68 1.01 0.49 -1.67 120.40 123.74 1q3k s VAL 115 Ca 0.02 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 1q3k s VAL 115 Cb -0.02 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 1q3k s VAL 115 CO -0.00 0.53 0.15 -0.76 0.00 0.00 0.00 175.10 175.02 1q3k s LEU 116 N 1.13 3.91 -0.39 3.92 1.43 0.35 -0.25 118.68 128.79 1q3k s LEU 116 Ca 0.01 -0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.05 1q3k s LEU 116 Cb -0.14 -2.07 0.09 0.00 0.03 0.00 0.00 46.19 44.10 1q3k s LEU 116 CO -0.08 -0.01 0.17 -0.32 0.23 0.00 0.00 176.35 176.34 1q3k s MET 117 N 1.52 2.16 0.14 1.70 1.75 -0.61 -1.60 119.30 124.36 1q3k s MET 117 Ca 0.07 -1.67 -0.29 0.00 -1.25 0.00 0.00 55.69 52.55 1q3k s MET 117 Cb -0.15 -3.53 -0.07 0.00 2.84 0.00 0.00 34.83 33.92 1q3k s MET 117 CO 0.08 -0.97 0.92 1.21 -0.65 0.00 0.00 175.02 175.60 1q3k s ASN 118 N 1.75 7.50 0.00 1.11 3.04 0.05 -1.57 114.94 126.82 1q3k s ASN 118 Ca 0.05 1.78 0.05 0.00 0.04 0.00 0.00 52.86 54.78 1q3k s ASN 118 Cb -0.22 -2.57 0.02 0.00 -1.54 0.00 0.00 41.25 36.93 1q3k s ASN 118 CO -0.03 0.03 0.55 0.61 -3.04 0.00 0.00 177.10 175.22 1q3k n GLY 119 N 2.01 -0.67 3.05 1.21 0.00 0.70 -3.27 105.19 108.22 1q3k n GLY 119 Ca -0.00 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.60 2.77 0.24 1.61 5.65 -1.25 -4.67 115.29 119.04 1q3k s HIS 120 Ca 0.05 -1.84 -0.09 0.00 0.25 0.00 0.00 55.06 53.42 1q3k s HIS 120 Cb 0.04 -1.80 0.38 0.00 -1.18 0.00 0.00 32.58 30.02 1q3k s HIS 120 CO 0.08 -0.80 1.61 -0.92 -0.65 0.00 0.00 174.74 174.06 1q3k h TYR 121 N 7.90 -0.28 0.00 3.88 3.20 -1.92 -0.59 116.97 129.16 1q3k h TYR 121 Ca -0.29 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.64 1q3k h TYR 121 Cb 1.09 0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.61 1q3k h TYR 121 CO 0.54 -0.31 0.00 0.93 -1.64 0.00 0.00 178.16 177.68 1q3k h GLU 122 N 0.03 0.00 0.00 1.82 3.07 -1.92 -3.19 114.58 114.39 1q3k h GLU 122 Ca 0.40 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.20 1q3k h GLU 122 Cb 0.65 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.56 1q3k h GLU 122 CO -0.76 0.00 -0.26 -0.91 -1.40 0.00 0.00 179.01 175.67 1q3k h ASN 123 N 0.00 0.00 -0.10 1.42 2.35 -1.43 -3.40 115.58 114.42 1q3k h ASN 123 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1q3k h ASN 123 Cb 0.31 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1q3k h ASN 123 CO 0.00 0.26 -0.06 -1.20 -1.65 0.00 0.00 177.43 174.78 1q3k n SER 124 N -4.18 -0.11 0.23 5.81 7.64 -1.21 -1.68 113.62 120.12 1q3k n SER 124 Ca -0.02 0.71 0.07 0.00 1.01 0.00 0.00 58.87 60.64 1q3k n SER 124 Cb 0.32 -0.29 0.53 0.00 -1.01 0.00 0.00 64.21 63.76 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 0.00 -0.01 1.43 2.86 -1.88 -0.80 114.93 116.53 1q3k h MET 125 Ca 0.02 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.48 1q3k h MET 125 Cb 0.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1q3k h MET 125 CO -0.10 0.20 -0.79 0.74 1.06 0.00 0.00 176.91 178.02 1q3k h PHE 126 N 0.00 0.13 -0.46 -0.22 -1.00 -1.60 -1.45 116.94 112.35 1q3k h PHE 126 Ca -0.00 -0.07 -0.12 0.00 2.81 0.00 0.00 57.97 60.59 1q3k h PHE 126 Cb 0.39 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 1q3k h PHE 126 CO 0.00 0.84 -0.18 0.82 -1.61 0.00 0.00 178.31 178.18 1q3k h ILE 127 N 0.06 1.27 -0.32 -0.55 2.04 -0.71 -1.90 117.51 117.40 1q3k h ILE 127 Ca -0.02 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.50 1q3k h ILE 127 Cb 1.39 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.61 1q3k h ILE 127 CO 0.11 0.46 0.20 0.58 0.00 0.00 0.00 178.15 179.50 1q3k h VAL 128 N 0.78 1.10 -0.38 1.67 2.07 -1.03 -0.79 116.25 119.67 1q3k h VAL 128 Ca 0.11 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 1q3k h VAL 128 Cb 0.75 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1q3k h VAL 128 CO 0.06 0.10 0.03 -0.08 0.02 0.00 0.00 177.57 177.70 1q3k h GLU 129 N 0.42 0.59 -0.31 1.57 4.57 -1.18 0.65 114.58 120.87 1q3k h GLU 129 Ca 0.11 -0.12 -0.10 0.00 -1.18 0.00 0.00 59.36 58.07 1q3k h GLU 129 Cb -0.02 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1q3k h GLU 129 CO -0.02 0.59 -0.21 0.78 -1.18 0.00 0.00 179.01 178.97 1q3k h GLY 130 N 0.86 0.64 0.52 1.92 0.00 -0.84 0.96 103.07 107.12 1q3k h GLY 130 Ca 0.12 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1q3k h GLY 130 CO 0.01 0.47 -0.01 -2.22 0.00 0.00 0.00 176.54 174.79 1q3k h ILE 131 N 0.53 1.32 -0.62 2.60 2.04 -0.66 -1.49 117.51 121.22 1q3k h ILE 131 Ca 0.08 -1.11 0.06 0.00 1.00 0.00 0.00 64.86 64.89 1q3k h ILE 131 Cb 0.65 2.06 -0.06 0.00 -0.74 0.00 0.00 36.82 38.73 1q3k h ILE 131 CO 0.05 0.28 0.33 -0.78 0.00 0.00 0.00 178.15 178.02 1q3k h ASP 132 N -0.52 0.46 -0.46 1.72 3.58 -0.72 0.71 116.42 121.20 1q3k h ASP 132 Ca -0.00 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 1q3k h ASP 132 Cb 0.49 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 1q3k h ASP 132 CO 0.01 0.30 0.18 -0.07 -2.88 0.00 0.00 179.24 176.78 1q3k h LEU 133 N 0.60 0.63 -0.47 2.28 3.38 -0.79 -0.97 115.31 119.97 1q3k h LEU 133 Ca 0.29 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1q3k h LEU 133 Cb 0.21 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1q3k h LEU 133 CO -0.20 0.63 0.27 0.00 0.09 0.00 0.00 178.44 179.23 1q3k h ALA 134 N 1.03 0.60 -0.49 1.53 0.00 -0.66 -2.37 119.26 118.90 1q3k h ALA 134 Ca 0.15 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1q3k h ALA 134 Cb 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1q3k h ALA 134 CO -0.01 0.10 0.13 -0.07 0.00 0.00 0.00 179.25 179.40 1q3k h LEU 135 N 0.62 0.68 -0.60 0.00 3.38 -0.75 1.00 115.31 119.64 1q3k h LEU 135 Ca 0.17 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1q3k h LEU 135 Cb 0.02 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1q3k h LEU 135 CO -0.03 0.66 0.21 -0.09 0.09 0.00 0.00 178.44 179.29 1q3k h ARG 136 N 0.72 0.91 -0.21 1.13 2.43 -0.96 -1.17 114.38 117.23 1q3k h ARG 136 Ca 0.16 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1q3k h ARG 136 Cb 0.25 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1q3k h ARG 136 CO -0.00 0.80 0.08 1.49 -1.51 0.00 0.00 179.97 180.82 1q3k h GLU 137 N 0.84 0.32 -0.56 0.20 4.81 -0.80 -2.75 114.58 116.63 1q3k h GLU 137 Ca 0.20 -0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.46 1q3k h GLU 137 Cb 0.24 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.50 1q3k h GLU 137 CO -0.01 0.39 0.13 -0.07 -0.73 0.00 0.00 179.01 178.72 1q3k h LEU 138 N 0.18 0.03 -1.17 1.64 4.07 -0.52 -0.04 115.31 119.50 1q3k h LEU 138 Ca 0.07 0.10 0.07 0.00 0.08 0.00 0.00 57.88 58.20 1q3k h LEU 138 Cb 0.20 0.13 -0.06 0.00 1.08 0.00 0.00 40.66 42.01 1q3k h LEU 138 CO -0.00 0.03 0.58 0.03 -1.08 0.00 0.00 178.44 178.00 1q3k h ARG 139 N 0.27 0.96 -0.87 1.13 3.08 -1.04 0.23 114.38 118.14 1q3k h ARG 139 Ca 0.29 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.29 1q3k h ARG 139 Cb 0.40 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1q3k h ARG 139 CO -0.36 0.64 0.58 1.88 -1.07 0.00 0.00 179.97 181.63 1q3k h TYR 140 N 0.99 1.08 -0.03 3.04 0.99 -0.79 -0.42 116.97 121.83 1q3k h TYR 140 Ca 0.39 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.14 1q3k h TYR 140 Cb 0.23 -0.37 0.00 0.00 1.00 0.00 0.00 36.73 37.59 1q3k h TYR 140 CO -0.00 0.67 0.00 0.00 -0.00 0.00 0.00 178.16 178.83 1q3k n ALA 141 N -2.40 2.53 -0.99 3.88 0.00 0.67 -4.87 120.51 119.33 1q3k n ALA 141 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1q3k n ALA 141 Cb 0.04 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 0.64 0.51 3.56 0.00 0.00 -0.17 -5.01 105.19 104.72 1q3k n GLY 142 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.15 5.21 -0.03 -0.61 1.01 -0.43 -4.92 121.20 119.27 1q3k s ILE 143 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1q3k s ILE 143 Cb 0.00 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1q3k s ILE 143 CO 0.00 0.03 0.69 1.41 0.00 0.00 0.00 174.94 177.07 1q3k n HIS 144 N 5.28 0.00 -1.03 3.97 8.25 -1.26 -3.10 115.22 127.33 1q3k n HIS 144 Ca -0.10 -0.19 0.05 0.00 -0.26 0.00 0.00 57.72 57.22 1q3k n HIS 144 Cb 0.50 -0.02 0.29 0.00 1.12 0.00 0.00 29.99 31.88 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 -0.16 4.28 -4.70 0.41 5.75 -1.26 -4.92 116.55 115.95 1q3k n ASP 145 Ca 0.00 -3.11 -0.42 0.00 -0.01 0.00 0.00 54.79 51.26 1q3k n ASP 145 Cb 0.10 -0.61 -0.03 0.00 -1.03 0.00 0.00 41.12 39.54 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 -2.89 3.56 -0.02 2.11 5.36 -1.26 -4.82 117.98 120.03 1q3k s PHE 146 Ca 0.47 1.51 0.06 0.00 -0.96 0.00 0.00 56.93 58.01 1q3k s PHE 146 Cb 0.38 -3.06 -0.01 0.00 -0.34 0.00 0.00 43.02 39.98 1q3k s PHE 146 CO 0.10 -0.09 -0.20 0.21 -1.46 0.00 0.00 175.22 173.78 1q3k s LYS 147 N 1.46 1.62 -0.01 10.12 2.20 -0.61 -5.03 119.74 129.49 1q3k s LYS 147 Ca 0.46 -0.70 0.05 0.00 -0.36 0.00 0.00 55.97 55.41 1q3k s LYS 147 Cb -0.19 -1.55 -0.01 0.00 -1.51 0.00 0.00 37.83 34.57 1q3k s LYS 147 CO 0.21 0.41 -0.15 0.08 -0.36 0.00 0.00 175.35 175.54 1q3k s VAL 148 N -0.43 1.16 -0.14 4.02 1.01 -1.26 -2.14 120.40 122.61 1q3k s VAL 148 Ca 0.07 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1q3k s VAL 148 Cb -0.08 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.34 1q3k s VAL 148 CO -0.01 0.30 -0.18 -0.69 0.00 0.00 0.00 175.10 174.52 1q3k s VAL 149 N -0.39 1.79 -0.06 2.92 1.01 -0.67 -5.02 120.40 119.98 1q3k s VAL 149 Ca 0.05 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1q3k s VAL 149 Cb -0.06 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1q3k s VAL 149 CO -0.00 0.50 -0.10 -0.69 0.00 0.00 0.00 175.10 174.81 1q3k s VAL 150 N 1.11 3.45 0.04 2.92 1.01 -1.26 -0.50 120.40 127.17 1q3k s VAL 150 Ca -0.02 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.11 1q3k s VAL 150 Cb -0.14 -2.39 0.08 0.00 0.00 0.00 0.00 36.38 33.92 1q3k s VAL 150 CO -0.06 0.59 0.69 -1.48 0.00 0.00 0.00 175.10 174.84 1q3k s LEU 151 N -0.74 -0.57 -0.23 3.92 0.05 -0.63 -4.97 118.68 115.51 1q3k s LEU 151 Ca 0.11 0.32 -0.07 0.00 0.05 0.00 0.00 54.13 54.54 1q3k s LEU 151 Cb -0.11 2.46 -0.03 0.00 -2.05 0.00 0.00 46.19 46.46 1q3k s LEU 151 CO 0.01 -0.74 0.07 -0.44 -0.55 0.00 0.00 176.35 174.70 1q3k s SER 152 N -1.97 5.31 0.40 1.48 0.01 -1.26 -0.77 113.70 116.90 1q3k s SER 152 Ca -0.04 -0.12 0.13 0.00 1.31 0.00 0.00 55.95 57.23 1q3k s SER 152 Cb -0.01 -1.94 0.95 0.00 0.21 0.00 0.00 66.02 65.24 1q3k s SER 152 CO -0.02 0.02 1.91 0.10 0.41 0.00 0.00 173.24 175.66 1q3k h TYR 153 N 7.80 0.61 0.00 2.43 -0.00 -1.91 -0.84 116.97 125.07 1q3k h TYR 153 Ca -0.37 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.38 1q3k h TYR 153 Cb 1.18 -0.19 0.00 0.00 0.00 0.00 0.00 36.73 37.71 1q3k h TYR 153 CO 0.65 0.24 0.00 0.11 -0.00 0.00 0.00 178.16 179.15 1q3k h TRP 154 N 0.53 0.00 0.00 0.10 0.09 -1.95 -1.87 115.95 112.85 1q3k h TRP 154 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.37 1q3k h TRP 154 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.01 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 -2.94 0.35 -0.33 0.11 8.00 -0.32 -2.24 116.55 119.19 1q3k n ASP 155 Ca -0.01 0.59 0.11 0.00 0.71 0.00 0.00 54.79 56.18 1q3k n ASP 155 Cb 0.16 -0.66 0.49 0.00 -0.02 0.00 0.00 41.12 41.09 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 -1.89 0.10 -3.17 1.24 3.01 -0.70 -4.35 117.46 111.70 1q3k n PHE 156 Ca 0.03 -0.05 -0.44 0.00 1.01 0.00 0.00 57.45 57.99 1q3k n PHE 156 Cb 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 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 -0.13 4.79 -0.10 -4.37 0.31 -0.95 -4.71 118.33 113.17 1q3k n VAL 157 Ca 0.16 -5.48 -0.14 0.00 -0.01 0.00 0.00 64.34 58.87 1q3k n VAL 157 Cb 0.23 -2.41 -0.09 0.00 -0.91 0.00 0.00 33.84 30.66 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 2.50 0.50 -1.57 5.55 5.02 -1.26 -4.89 118.16 124.00 1q3k n LYS 158 Ca 0.26 0.12 -0.61 0.00 -2.02 0.00 0.00 58.31 56.06 1q3k n LYS 158 Cb 0.37 -1.40 -0.09 0.00 -0.02 0.00 0.00 35.03 33.89 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 -3.10 1.58 0.02 4.39 2.03 -1.26 -4.78 116.55 115.43 1q3k n ASP 159 Ca -0.35 0.93 0.19 0.00 0.52 0.00 0.00 54.79 56.08 1q3k n ASP 159 Cb 0.87 -1.01 0.69 0.00 -0.72 0.00 0.00 41.12 40.95 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 7.65 0.00 -0.09 -0.67 0.11 -1.98 0.17 132.00 137.20 1q3k h PRO 160 Ca -0.34 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 1q3k h PRO 160 Cb 1.36 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.47 1q3k h PRO 160 CO 1.01 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 178.80 1q3k h ALA 161 N 1.75 0.11 -0.50 -0.75 0.00 -1.98 0.29 119.26 118.17 1q3k h ALA 161 Ca 0.23 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1q3k h ALA 161 Cb 0.95 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1q3k h ALA 161 CO -0.00 -0.20 0.05 0.28 0.00 0.00 0.00 179.25 179.38 1q3k h VAL 162 N -0.13 1.26 -0.47 0.00 2.07 -1.58 0.18 116.25 117.57 1q3k h VAL 162 Ca 0.02 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1q3k h VAL 162 Cb 0.35 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1q3k h VAL 162 CO 0.00 0.35 0.27 0.40 0.02 0.00 0.00 177.57 178.61 1q3k h ILE 163 N 0.72 1.16 0.16 4.57 2.04 -0.63 0.51 117.51 126.04 1q3k h ILE 163 Ca 0.15 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1q3k h ILE 163 Cb 0.44 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1q3k h ILE 163 CO 0.02 0.17 -0.15 -0.61 0.00 0.00 0.00 178.15 177.57 1q3k h GLN 164 N 0.62 -0.32 -0.87 2.37 4.15 -0.04 1.04 115.11 122.06 1q3k h GLN 164 Ca 0.17 0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.68 1q3k h GLN 164 Cb 0.03 0.07 -0.06 0.00 0.21 0.00 0.00 27.48 27.74 1q3k h GLN 164 CO -0.03 -0.21 0.57 -0.09 -1.93 0.00 0.00 178.83 177.14 1q3k h ARG 165 N -0.33 0.94 0.00 1.69 2.43 -0.28 -0.31 114.38 118.52 1q3k h ARG 165 Ca 0.00 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1q3k h ARG 165 Cb 0.31 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1q3k h ARG 165 CO -0.03 0.62 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.98 1q3k h LEU 166 N 0.97 -0.00 -5.78 3.80 -0.00 0.59 -3.38 115.31 111.51 1q3k h LEU 166 Ca 0.38 -0.65 -0.67 0.00 -0.00 0.00 0.00 57.88 56.94 1q3k h LEU 166 Cb 0.22 0.00 -0.37 0.00 -0.00 0.00 0.00 40.66 40.52 1q3k h LEU 166 CO -0.14 0.65 -0.06 -1.22 -0.00 0.00 0.00 178.44 177.67 1q3k n TYR 167 N -4.78 3.53 -1.68 1.13 4.02 0.36 -4.97 117.16 114.76 1q3k n TYR 167 Ca -0.09 -3.51 -0.18 0.00 -0.01 0.00 0.00 57.90 54.10 1q3k n TYR 167 Cb 0.32 -0.75 -0.10 0.00 -0.02 0.00 0.00 39.34 38.79 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 0.04 0.48 0.00 -0.72 -0.02 -0.17 -0.66 135.00 133.96 1q3k n PRO 168 Ca 0.35 -1.89 0.00 0.00 -2.02 0.00 0.00 63.50 59.94 1q3k n PRO 168 Cb 0.35 -3.87 0.00 0.00 -0.02 0.00 0.00 33.50 29.96 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 8.16 0.00 0.00 -0.52 4.07 -1.26 -5.12 120.64 125.97 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 -0.21 3.71 8.31 0.00 0.17 -4.96 105.19 112.21 1q3k n GLY 170 Ca 0.00 -1.45 -0.40 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.15 3.59 0.02 1.61 5.99 -1.26 -4.89 117.98 120.89 1q3k s PHE 171 Ca 0.00 1.38 -0.11 0.00 0.00 0.00 0.00 56.93 58.20 1q3k s PHE 171 Cb 0.00 -2.91 -0.32 0.00 0.00 0.00 0.00 43.02 39.78 1q3k s PHE 171 CO 0.00 0.03 0.96 -0.07 -0.00 0.00 0.00 175.22 176.14 1q3k h LEU 172 N 6.91 0.67 0.00 6.12 3.38 -1.96 -3.50 115.31 126.92 1q3k h LEU 172 Ca -0.40 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 56.80 1q3k h LEU 172 Cb 1.20 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1q3k h LEU 172 CO 0.76 1.62 0.00 0.61 0.09 0.00 0.00 178.44 181.52 1q3k n GLY 173 N 1.70 3.88 0.28 0.83 0.00 -1.26 -4.90 105.19 105.72 1q3k n GLY 173 Ca -0.16 -1.66 0.18 0.00 0.00 0.00 0.00 46.02 44.38 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 0.25 1.61 -0.00 -1.97 -3.23 115.95 112.61 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 0.01 -0.35 -0.44 -0.00 0.00 0.00 178.44 177.66 1q3k h ASP 175 N 0.00 -0.97 -0.33 -3.49 3.45 -1.90 -2.60 116.42 110.58 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 0.46 0.34 0.00 0.00 -0.56 0.00 0.00 39.33 39.57 1q3k h ASP 175 CO 0.00 -0.46 0.00 2.30 -1.57 0.00 0.00 179.24 179.51 1q3k n ILE 176 N -5.44 0.69 -1.12 0.35 -5.35 -1.22 -4.30 119.36 102.97 1q3k n ILE 176 Ca -0.08 -0.52 -0.16 0.00 -0.27 0.00 0.00 62.75 61.71 1q3k n ILE 176 Cb 0.35 0.07 -0.10 0.00 -1.74 0.00 0.00 39.64 38.22 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 0.48 2.04 -3.82 6.28 -0.58 -0.98 -3.26 120.64 120.80 1q3k n GLU 177 Ca 0.12 -1.40 -0.37 0.00 -0.42 0.00 0.00 57.16 55.09 1q3k n GLU 177 Cb 0.40 -1.94 -0.13 0.00 -0.57 0.00 0.00 31.44 29.21 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 -0.19 3.19 -0.06 -0.32 5.65 -1.26 -4.36 115.29 117.94 1q3k s HIS 178 Ca 0.56 -1.39 0.00 0.00 0.25 0.00 0.00 55.06 54.49 1q3k s HIS 178 Cb 0.31 -2.20 0.00 0.00 -1.18 0.00 0.00 32.58 29.50 1q3k s HIS 178 CO -0.08 -0.70 0.00 0.41 -0.65 0.00 0.00 174.74 173.73 1q3k n GLY 179 N 4.77 0.42 0.00 1.59 0.00 -1.26 -1.81 105.19 108.91 1q3k n GLY 179 Ca -0.14 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.03 1.16 0.09 -0.02 0.00 -1.25 -4.51 105.19 98.62 1q3k n GLY 180 Ca -0.01 -1.60 -0.13 0.00 0.00 0.00 0.00 46.02 44.29 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 1.04 -0.20 1.61 2.07 -1.84 -1.92 116.25 117.02 1q3k h VAL 181 Ca 0.00 -0.53 0.06 0.00 0.82 0.00 0.00 66.70 67.05 1q3k h VAL 181 Cb 0.00 1.38 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 1q3k h VAL 181 CO 0.00 0.13 -0.31 0.15 0.02 0.00 0.00 177.57 177.56 1q3k h PHE 182 N -0.37 -0.85 -0.07 1.57 3.57 -1.94 -0.06 116.94 118.79 1q3k h PHE 182 Ca -0.01 0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.35 1q3k h PHE 182 Cb 0.31 0.41 0.01 0.00 2.79 0.00 0.00 35.95 39.47 1q3k h PHE 182 CO 0.01 -0.38 -0.65 0.93 -2.23 0.00 0.00 178.31 175.98 1q3k h GLU 183 N -0.35 0.57 -0.83 1.11 5.08 -1.86 -2.70 114.58 115.60 1q3k h GLU 183 Ca 0.12 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 57.95 1q3k h GLU 183 Cb 0.53 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1q3k h GLU 183 CO -0.39 1.14 0.47 1.15 -1.00 0.00 0.00 179.01 180.37 1q3k h THR 184 N 0.17 1.24 0.83 1.13 2.02 -1.23 0.80 112.91 117.88 1q3k h THR 184 Ca -0.06 -0.58 -0.04 0.00 0.77 0.00 0.00 66.41 66.50 1q3k h THR 184 Cb 1.31 0.10 0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1q3k h THR 184 CO 0.13 0.26 -0.40 0.28 0.37 0.00 0.00 175.52 176.16 1q3k h SER 185 N 1.16 -0.95 -0.18 4.18 0.02 -1.05 -0.11 113.55 116.62 1q3k h SER 185 Ca 0.29 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.32 1q3k h SER 185 Cb 0.01 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1q3k h SER 185 CO -0.05 -0.62 0.16 0.25 -1.14 0.00 0.00 176.83 175.43 1q3k h LEU 186 N -1.23 0.00 -0.38 5.07 5.85 -1.34 0.46 115.31 123.74 1q3k h LEU 186 Ca -0.11 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.43 1q3k h LEU 186 Cb 0.87 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 1q3k h LEU 186 CO 0.19 0.00 -0.81 -0.03 -0.34 0.00 0.00 178.44 177.45 1q3k h MET 187 N 0.00 0.11 -0.04 1.25 4.05 -0.45 -2.80 114.93 117.06 1q3k h MET 187 Ca 0.08 -0.12 -0.14 0.00 -0.28 0.00 0.00 59.70 59.25 1q3k h MET 187 Cb 0.41 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 1q3k h MET 187 CO -0.00 0.86 -0.60 -0.07 0.23 0.00 0.00 176.91 177.33 1q3k h LEU 188 N 0.07 0.15 0.00 3.39 3.38 0.18 0.75 115.31 123.23 1q3k h LEU 188 Ca -0.03 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1q3k h LEU 188 Cb 1.41 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1q3k h LEU 188 CO 0.12 0.71 -0.37 0.00 0.09 0.00 0.00 178.44 178.99 1q3k n ALA 189 N -2.45 3.10 -0.04 1.53 0.00 -0.58 -4.01 120.51 118.06 1q3k n ALA 189 Ca -0.02 -0.26 -0.07 0.00 0.00 0.00 0.00 53.44 53.09 1q3k n ALA 189 Cb 0.61 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.61 1.21 -3.23 0.00 4.77 -1.06 -4.92 117.00 112.16 1q3k n LEU 190 Ca 0.06 0.06 -0.24 0.00 -0.03 0.00 0.00 56.01 55.85 1q3k n LEU 190 Cb 0.35 -0.23 -0.07 0.00 -2.33 0.00 0.00 43.42 41.15 1q3k n LEU 190 CO 0.33 0.28 -0.19 -1.22 -1.33 0.00 0.00 177.39 175.26 1q3k n TYR 191 N -3.16 0.74 -0.22 -1.77 4.02 0.25 -4.97 117.16 112.04 1q3k n TYR 191 Ca -0.14 -3.74 0.15 0.00 -0.01 0.00 0.00 57.90 54.16 1q3k n TYR 191 Cb 0.61 -0.41 0.46 0.00 -0.02 0.00 0.00 39.34 39.98 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 3.90 0.50 -0.04 -0.72 0.11 -1.68 0.43 132.00 134.50 1q3k h PRO 192 Ca 0.10 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 1q3k h PRO 192 Cb 0.83 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 1q3k h PRO 192 CO 0.56 0.33 -0.03 -0.44 -0.21 0.00 0.00 178.00 178.22 1q3k h ASP 193 N 0.51 0.05 -0.02 -2.05 3.32 -1.93 -2.26 116.42 114.04 1q3k h ASP 193 Ca 0.42 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1q3k h ASP 193 Cb 0.87 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1q3k h ASP 193 CO -0.16 0.09 0.00 0.18 -1.72 0.00 0.00 179.24 177.62 1q3k n LEU 194 N -4.47 0.76 -4.01 1.55 4.77 0.14 -4.79 117.00 110.94 1q3k n LEU 194 Ca -0.02 -0.26 -0.22 0.00 -0.03 0.00 0.00 56.01 55.48 1q3k n LEU 194 Cb 0.13 -0.01 -0.16 0.00 -2.33 0.00 0.00 43.42 41.06 1q3k n LEU 194 CO 0.35 0.13 -0.45 0.54 -1.33 0.00 0.00 177.39 176.63 1q3k s VAL 195 N -1.99 0.90 -0.43 4.08 0.11 -0.85 -2.42 120.40 119.80 1q3k s VAL 195 Ca 0.41 -0.40 0.02 0.00 -2.93 0.00 0.00 61.98 59.08 1q3k s VAL 195 Cb 0.21 -0.81 0.14 0.00 -1.53 0.00 0.00 36.38 34.39 1q3k s VAL 195 CO 0.34 0.28 0.25 -0.62 -3.33 0.00 0.00 175.10 172.01 1q3k s ASP 196 N 0.31 3.52 0.62 3.54 2.15 0.49 -4.90 116.67 122.40 1q3k s ASP 196 Ca -0.06 -2.62 0.26 0.00 0.43 0.00 0.00 52.55 50.56 1q3k s ASP 196 Cb -0.11 -0.95 1.29 0.00 -0.30 0.00 0.00 42.92 42.85 1q3k s ASP 196 CO 0.01 -0.26 1.72 -0.07 -0.17 0.00 0.00 175.17 176.40 1q3k h LEU 197 N 6.69 0.00 -1.37 -1.34 -0.00 -1.96 -1.16 115.31 116.17 1q3k h LEU 197 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1q3k h LEU 197 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.59 1q3k h LEU 197 CO 0.46 0.00 0.00 -0.33 -0.00 0.00 0.00 178.44 178.57 1q3k h GLU 198 N 0.00 0.00 -0.01 1.13 5.08 -1.94 -2.34 114.58 116.49 1q3k h GLU 198 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1q3k h GLU 198 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1q3k h GLU 198 CO -0.00 0.00 -0.27 0.54 -1.00 0.00 0.00 179.01 178.27 1q3k n ARG 199 N -2.84 1.23 -1.52 2.33 1.74 -0.44 -4.90 116.66 112.26 1q3k n ARG 199 Ca 0.01 -0.88 -0.48 0.00 -0.77 0.00 0.00 57.85 55.73 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 -0.12 0.28 -2.77 1.55 0.31 -0.88 -4.38 118.33 112.32 1q3k n VAL 200 Ca 0.12 -0.32 -0.42 0.00 -0.01 0.00 0.00 64.34 63.70 1q3k n VAL 200 Cb 0.42 -2.01 -0.03 0.00 -0.91 0.00 0.00 33.84 31.31 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 7.45 4.20 0.59 2.52 1.01 -1.26 -4.97 120.40 129.95 1q3k s VAL 201 Ca 1.05 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 62.41 1q3k s VAL 201 Cb -0.65 -4.79 -0.03 0.00 0.00 0.00 0.00 36.38 30.90 1q3k s VAL 201 CO 0.44 -1.61 1.33 -0.62 0.00 0.00 0.00 175.10 174.64 1q3k s ASP 202 N 3.83 4.95 -0.00 3.32 -1.08 -1.26 -4.87 116.67 121.55 1q3k s ASP 202 Ca 0.29 2.71 -0.29 0.00 -0.52 0.00 0.00 52.55 54.75 1q3k s ASP 202 Cb -0.11 -2.63 0.10 0.00 -1.46 0.00 0.00 42.92 38.82 1q3k s ASP 202 CO 0.06 -1.78 0.91 -1.38 0.52 0.00 0.00 175.17 173.50 1q3k s HIS 203 N -1.34 -0.32 0.53 -5.34 -3.43 -1.26 -5.04 115.29 99.09 1q3k s HIS 203 Ca 0.77 0.18 -0.21 0.00 -0.80 0.00 0.00 55.06 55.00 1q3k s HIS 203 Cb -0.39 0.54 -0.05 0.00 -1.43 0.00 0.00 32.58 31.25 1q3k s HIS 203 CO 0.44 -0.54 1.21 -2.14 -2.00 0.00 0.00 174.74 171.71 1q3k s PRO 204 N -3.09 3.32 0.27 -0.38 0.02 -1.26 -4.00 135.00 129.87 1q3k s PRO 204 Ca 0.06 1.85 -0.29 0.00 0.02 0.00 0.00 61.00 62.64 1q3k s PRO 204 Cb -0.01 -2.16 -0.14 0.00 0.02 0.00 0.00 34.50 32.21 1q3k s PRO 204 CO -0.08 -0.93 1.06 -2.30 -0.33 0.00 0.00 177.00 174.42 1q3k n PRO 205 N -1.08 1.37 -2.01 5.54 -0.02 -1.26 -4.80 135.00 132.74 1q3k n PRO 205 Ca 0.11 0.48 -0.41 0.00 -2.02 0.00 0.00 63.50 61.66 1q3k n PRO 205 Cb 0.48 -1.90 -0.02 0.00 -0.02 0.00 0.00 33.50 32.05 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 -0.85 3.57 0.04 3.55 0.00 0.01 -5.00 121.76 123.08 1q3k s ALA 206 Ca 0.61 1.35 0.06 0.00 0.00 0.00 0.00 51.96 53.99 1q3k s ALA 206 Cb -0.72 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 18.84 1q3k s ALA 206 CO 0.58 -0.76 -0.18 0.99 0.00 0.00 0.00 175.76 176.39 1q3k s THR 207 N -0.63 1.46 0.01 0.00 2.01 -1.26 -4.96 115.64 112.27 1q3k s THR 207 Ca 0.54 -1.12 -0.05 0.00 0.31 0.00 0.00 61.69 61.37 1q3k s THR 207 Cb -0.42 -1.28 -0.01 0.00 0.01 0.00 0.00 72.50 70.80 1q3k s THR 207 CO 0.50 0.13 0.08 -0.36 -0.69 0.00 0.00 174.62 174.29 1q3k s PHE 208 N -0.82 0.13 1.07 4.92 0.40 -1.26 -5.05 117.98 117.37 1q3k s PHE 208 Ca 0.05 -0.32 -0.12 0.00 -0.60 0.00 0.00 56.93 55.94 1q3k s PHE 208 Cb -0.08 -0.11 0.23 0.00 0.51 0.00 0.00 43.02 43.57 1q3k s PHE 208 CO 0.02 -0.28 1.06 -2.14 0.70 0.00 0.00 175.22 174.58 1q3k s PRO 209 N -1.68 -0.13 0.00 0.24 0.02 -1.26 -4.86 135.00 127.33 1q3k s PRO 209 Ca -0.13 0.93 0.00 0.00 0.02 0.00 0.00 61.00 61.82 1q3k s PRO 209 Cb -0.07 -1.64 0.00 0.00 0.02 0.00 0.00 34.50 32.81 1q3k s PRO 209 CO -0.00 -3.22 0.97 -2.30 -0.33 0.00 0.00 177.00 172.12 1q3k n PRO 210 N -4.58 0.67 -3.87 5.54 -0.02 -1.26 -4.78 135.00 126.71 1q3k n PRO 210 Ca 0.05 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.46 1q3k n PRO 210 Cb 0.54 -1.16 -0.02 0.00 -0.02 0.00 0.00 33.50 32.84 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 0.48 -0.09 0.16 6.00 -0.85 -1.26 -5.18 117.35 116.61 1q3k s TYR 211 Ca 0.00 -0.39 0.11 0.00 -0.52 0.00 0.00 57.07 56.28 1q3k s TYR 211 Cb 0.00 0.67 -0.04 0.00 0.38 0.00 0.00 41.96 42.96 1q3k s TYR 211 CO 0.00 -1.25 -0.25 -0.51 -1.52 0.00 0.00 175.55 172.01 1q3k s ASP 212 N -2.95 3.38 -0.04 -0.18 1.01 -1.26 -5.07 116.67 111.56 1q3k s ASP 212 Ca 0.13 -0.81 0.04 0.00 0.71 0.00 0.00 52.55 52.62 1q3k s ASP 212 Cb -0.05 -0.24 -0.00 0.00 1.01 0.00 0.00 42.92 43.64 1q3k s ASP 212 CO 0.08 0.15 -0.16 -0.69 0.21 0.00 0.00 175.17 174.76 1q3k s VAL 213 N -1.38 1.31 0.00 -1.27 1.01 -1.26 -5.14 120.40 113.67 1q3k s VAL 213 Ca 0.18 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1q3k s VAL 213 Cb -0.09 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1q3k s VAL 213 CO 0.08 0.38 -0.08 -0.36 0.00 0.00 0.00 175.10 175.12 1q3k s PHE 214 N 0.03 0.72 0.62 5.22 0.40 -1.26 -3.89 117.98 119.82 1q3k s PHE 214 Ca -0.03 -0.20 -0.18 0.00 -0.60 0.00 0.00 56.93 55.93 1q3k s PHE 214 Cb -0.11 -0.45 -0.04 0.00 0.51 0.00 0.00 43.02 42.93 1q3k s PHE 214 CO 0.02 -0.02 0.98 -2.30 0.70 0.00 0.00 175.22 174.60 1q3k n PRO 215 N 2.61 0.87 -1.71 0.24 -0.02 -1.26 -5.05 135.00 130.68 1q3k n PRO 215 Ca -0.15 0.34 -0.43 0.00 -2.02 0.00 0.00 63.50 61.24 1q3k n PRO 215 Cb 0.57 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 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 -1.83 0.03 -3.08 -1.45 3.14 -1.25 -4.92 118.33 108.97 1q3k n VAL 216 Ca 0.14 -0.01 -0.43 0.00 -2.96 0.00 0.00 64.34 61.09 1q3k n VAL 216 Cb 0.48 -1.91 -0.06 0.00 -1.06 0.00 0.00 33.84 31.29 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 1.25 6.34 0.48 6.55 2.15 -1.26 -4.94 116.67 127.24 1q3k s ASP 217 Ca 0.76 -0.31 0.16 0.00 0.43 0.00 0.00 52.55 53.60 1q3k s ASP 217 Cb -0.54 -2.33 1.18 0.00 -0.30 0.00 0.00 42.92 40.93 1q3k s ASP 217 CO 0.34 -0.81 2.05 -0.65 -0.17 0.00 0.00 175.17 175.93 1q3k h PRO 218 N 8.90 0.19 0.00 4.34 0.11 -1.95 -1.59 132.00 142.00 1q3k h PRO 218 Ca -0.25 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 1q3k h PRO 218 Cb 1.09 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1q3k h PRO 218 CO 0.91 0.12 -0.07 0.00 -0.21 0.00 0.00 178.00 178.75 1q3k h ALA 219 N 1.81 1.25 -0.00 -0.75 0.00 -2.01 -2.41 119.26 117.15 1q3k h ALA 219 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1q3k h ALA 219 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1q3k h ALA 219 CO -0.03 0.08 -0.03 0.54 0.00 0.00 0.00 179.25 179.82 1q3k n ARG 220 N -3.54 1.04 -4.95 0.00 1.74 -0.60 -4.75 116.66 105.61 1q3k n ARG 220 Ca -0.02 -0.27 -0.32 0.00 -0.77 0.00 0.00 57.85 56.46 1q3k n ARG 220 Cb 0.19 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 30.00 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 -2.15 2.88 0.24 0.55 2.01 -0.91 -4.93 115.64 113.33 1q3k s THR 221 Ca 0.40 -0.78 -0.31 0.00 0.31 0.00 0.00 61.69 61.30 1q3k s THR 221 Cb 0.21 -2.12 -0.14 0.00 0.01 0.00 0.00 72.50 70.46 1q3k s THR 221 CO 0.39 0.58 1.39 -2.65 -0.69 0.00 0.00 174.62 173.64 1q3k n PRO 222 N 2.53 1.97 -0.31 4.92 -0.02 -1.26 -4.86 135.00 137.96 1q3k n PRO 222 Ca -0.17 0.70 0.13 0.00 -2.02 0.00 0.00 63.50 62.14 1q3k n PRO 222 Cb 0.52 -2.34 0.28 0.00 -0.02 0.00 0.00 33.50 31.94 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 4.11 1.19 0.00 3.55 0.00 -1.89 0.28 119.26 126.50 1q3k h ALA 223 Ca -0.45 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1q3k h ALA 223 Cb 1.28 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 1q3k h ALA 223 CO 0.75 -0.53 -0.04 -1.35 0.00 0.00 0.00 179.25 178.08 1q3k h PRO 224 N 0.09 0.00 0.00 0.00 0.11 -1.93 -3.46 132.00 126.81 1q3k h PRO 224 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 1q3k h PRO 224 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1q3k h PRO 224 CO -0.78 0.04 0.00 0.41 -0.21 0.00 0.00 178.00 177.45 1q3k n GLY 225 N -1.00 2.59 3.88 -0.55 0.00 0.99 -3.65 105.19 107.45 1q3k n GLY 225 Ca -0.02 0.00 -0.30 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 -2.59 4.77 -1.85 2.61 -4.23 -1.26 -4.40 115.64 108.68 1q3k s THR 226 Ca 0.00 0.67 0.16 0.00 -1.18 0.00 0.00 61.69 61.34 1q3k s THR 226 Cb 0.00 -3.86 0.08 0.00 1.34 0.00 0.00 72.50 70.06 1q3k s THR 226 CO 0.00 -1.01 0.96 0.18 -0.54 0.00 0.00 174.62 174.21 1q3k n LEU 227 N -2.49 2.10 -3.60 4.79 4.77 -0.75 -4.26 117.00 117.56 1q3k n LEU 227 Ca 0.04 -0.91 -0.10 0.00 -0.03 0.00 0.00 56.01 55.01 1q3k n LEU 227 Cb 0.54 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 1q3k n LEU 227 CO 0.56 0.38 0.75 -0.94 -1.33 0.00 0.00 177.39 176.81 1q3k s SER 228 N -1.56 -0.41 0.50 -1.43 1.04 -1.20 -0.81 113.70 109.81 1q3k s SER 228 Ca 0.17 0.62 -0.22 0.00 0.48 0.00 0.00 55.95 57.01 1q3k s SER 228 Cb 0.13 0.57 -0.07 0.00 0.10 0.00 0.00 66.02 66.76 1q3k s SER 228 CO 0.28 -0.26 1.17 -0.55 0.98 0.00 0.00 173.24 174.85 1q3k s SER 229 N -0.50 5.94 -0.18 7.02 0.15 -1.26 -3.88 113.70 121.00 1q3k s SER 229 Ca 0.00 2.29 0.15 0.00 0.70 0.00 0.00 55.95 59.09 1q3k s SER 229 Cb -0.03 -2.60 0.37 0.00 -1.71 0.00 0.00 66.02 62.06 1q3k s SER 229 CO -0.02 -1.08 1.21 0.00 1.20 0.00 0.00 173.24 174.55 1q3k n ALA 230 N -0.82 3.07 0.05 5.45 0.00 -1.26 -3.79 120.51 123.21 1q3k n ALA 230 Ca 0.09 -2.97 -0.02 0.00 0.00 0.00 0.00 53.44 50.54 1q3k n ALA 230 Cb 0.49 -0.40 0.24 0.00 0.00 0.00 0.00 19.45 19.78 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 0.60 0.39 -0.05 0.00 2.10 -1.93 -1.86 116.57 115.82 1q3k h LYS 231 Ca 0.01 -0.14 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1q3k h LYS 231 Cb 1.05 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 1q3k h LYS 231 CO 0.03 0.62 0.00 0.25 -2.00 0.00 0.00 179.45 178.35 1q3k n THR 232 N -4.13 0.04 -2.50 0.07 -2.24 -1.26 -4.84 114.28 99.42 1q3k n THR 232 Ca -0.01 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 1q3k n THR 232 Cb 0.39 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 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 3.35 0.05 6.98 0.00 -0.70 -5.03 121.76 124.46 1q3k s ALA 233 Ca 0.02 0.78 0.03 0.00 0.00 0.00 0.00 51.96 52.79 1q3k s ALA 233 Cb 0.01 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 1q3k s ALA 233 CO 0.01 -0.31 -0.09 -1.54 0.00 0.00 0.00 175.76 173.84 1q3k s SER 234 N 0.60 0.99 0.37 0.00 1.04 -1.26 -4.89 113.70 110.55 1q3k s SER 234 Ca 0.54 -0.60 0.06 0.00 0.48 0.00 0.00 55.95 56.43 1q3k s SER 234 Cb -0.28 0.03 0.76 0.00 0.10 0.00 0.00 66.02 66.63 1q3k s SER 234 CO 0.31 -0.21 1.98 -0.09 0.98 0.00 0.00 173.24 176.21 1q3k h ARG 235 N 4.33 0.70 -0.55 4.02 2.43 -1.88 -1.38 114.38 122.06 1q3k h ARG 235 Ca -0.36 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 58.79 1q3k h ARG 235 Cb 1.20 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.55 1q3k h ARG 235 CO 0.43 0.46 0.33 0.93 -1.51 0.00 0.00 179.97 180.61 1q3k h GLU 236 N 0.72 0.64 -0.73 0.20 3.07 -1.96 0.16 114.58 116.68 1q3k h GLU 236 Ca 0.27 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 59.07 1q3k h GLU 236 Cb 0.17 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 27.91 1q3k h GLU 236 CO -0.08 0.42 0.34 0.87 -1.40 0.00 0.00 179.01 179.16 1q3k h LYS 237 N 0.66 1.05 -0.66 2.33 1.57 -1.64 -2.18 116.57 117.71 1q3k h LYS 237 Ca 0.22 -0.16 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 1q3k h LYS 237 Cb 0.02 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.09 1q3k h LYS 237 CO -0.10 0.83 0.37 0.78 -0.57 0.00 0.00 179.45 180.77 1q3k h GLY 238 N 1.02 0.96 1.00 3.86 0.00 -0.19 -1.29 103.07 108.43 1q3k h GLY 238 Ca 0.25 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1q3k h GLY 238 CO -0.03 0.17 0.40 0.83 0.00 0.00 0.00 176.54 177.92 1q3k h GLU 239 N 0.69 0.87 -0.45 4.80 4.39 -0.39 -0.18 114.58 124.32 1q3k h GLU 239 Ca 0.29 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.89 1q3k h GLU 239 Cb 0.16 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1q3k h GLU 239 CO -0.17 0.61 0.15 1.25 -1.16 0.00 0.00 179.01 179.68 1q3k h LEU 240 N 0.88 0.65 -0.08 1.33 5.85 -0.76 -2.00 115.31 121.17 1q3k h LEU 240 Ca 0.23 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1q3k h LEU 240 Cb -0.05 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1q3k h LEU 240 CO -0.05 0.68 0.05 0.40 -0.34 0.00 0.00 178.44 179.18 1q3k h ILE 241 N 0.59 1.01 -0.28 4.05 2.04 -1.00 -0.76 117.51 123.15 1q3k h ILE 241 Ca 0.15 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 66.04 1q3k h ILE 241 Cb 0.25 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.17 1q3k h ILE 241 CO -0.01 0.02 -0.16 0.25 0.00 0.00 0.00 178.15 178.25 1q3k h LEU 242 N 0.10 -0.55 -0.25 1.44 5.85 -0.83 0.15 115.31 121.23 1q3k h LEU 242 Ca 0.03 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1q3k h LEU 242 Cb -0.00 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1q3k h LEU 242 CO -0.02 -0.20 0.05 -0.33 -0.34 0.00 0.00 178.44 177.60 1q3k h GLU 243 N -0.13 0.41 -0.86 1.25 4.39 -1.22 0.20 114.58 118.62 1q3k h GLU 243 Ca 0.15 -0.10 0.07 0.00 0.34 0.00 0.00 59.36 59.81 1q3k h GLU 243 Cb 0.36 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.90 1q3k h GLU 243 CO -0.37 0.52 0.53 0.28 -1.16 0.00 0.00 179.01 178.82 1q3k h VAL 244 N 0.23 1.03 0.10 3.13 2.07 -0.67 -0.05 116.25 122.09 1q3k h VAL 244 Ca 0.08 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1q3k h VAL 244 Cb 0.30 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1q3k h VAL 244 CO 0.00 0.18 -0.05 0.00 0.02 0.00 0.00 177.57 177.72 1q3k h VAL 246 N -0.70 1.05 0.04 0.00 2.07 -0.43 0.80 116.25 119.08 1q3k h VAL 246 Ca -0.01 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1q3k h VAL 246 Cb 0.54 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1q3k h VAL 246 CO 0.02 0.20 -0.02 -0.61 0.02 0.00 0.00 177.57 177.19 1q3k h GLN 247 N 1.12 -0.05 -0.13 1.57 5.75 -1.08 -2.23 115.11 120.07 1q3k h GLN 247 Ca 0.44 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.91 1q3k h GLN 247 Cb 0.25 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 1q3k h GLN 247 CO -0.19 0.56 -0.11 0.78 -2.65 0.00 0.00 178.83 177.21 1q3k h GLY 248 N -0.73 0.21 0.38 2.39 0.00 -1.21 -0.93 103.07 103.18 1q3k h GLY 248 Ca -0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 1q3k h GLY 248 CO 0.01 0.11 -0.02 -2.22 0.00 0.00 0.00 176.54 174.43 1q3k h ILE 249 N 0.19 1.37 -0.76 2.60 2.04 -0.92 -1.68 117.51 120.35 1q3k h ILE 249 Ca 0.04 -1.39 0.15 0.00 1.00 0.00 0.00 64.86 64.66 1q3k h ILE 249 Cb 0.33 2.28 -0.10 0.00 -0.74 0.00 0.00 36.82 38.59 1q3k h ILE 249 CO 0.02 0.35 0.28 0.00 0.00 0.00 0.00 178.15 178.80 1q3k h ALA 250 N 0.25 1.07 -0.44 1.87 0.00 -1.12 0.24 119.26 121.13 1q3k h ALA 250 Ca -0.00 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1q3k h ALA 250 Cb 0.60 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1q3k h ALA 250 CO 0.01 -0.25 -0.05 -0.44 0.00 0.00 0.00 179.25 178.52 1q3k h ASP 251 N 0.40 0.81 -0.78 0.00 3.32 -1.19 -2.28 116.42 116.70 1q3k h ASP 251 Ca 0.43 -0.33 0.03 0.00 0.02 0.00 0.00 57.03 57.17 1q3k h ASP 251 Cb 0.68 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.97 1q3k h ASP 251 CO -0.44 0.95 0.50 0.00 -1.72 0.00 0.00 179.24 178.53 1q3k h ALA 252 N 0.89 1.02 -0.50 3.45 0.00 0.05 -1.65 119.26 122.52 1q3k h ALA 252 Ca 0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1q3k h ALA 252 Cb 0.57 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1q3k h ALA 252 CO 0.03 0.30 0.15 0.82 0.00 0.00 0.00 179.25 180.55 1q3k h ILE 253 N 0.96 1.20 -0.27 0.00 2.04 -0.29 -1.41 117.51 119.74 1q3k h ILE 253 Ca 0.31 -0.70 -0.09 0.00 1.00 0.00 0.00 64.86 65.38 1q3k h ILE 253 Cb 0.02 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1q3k h ILE 253 CO -0.11 0.26 -0.20 1.23 0.00 0.00 0.00 178.15 179.33 1q3k h GLY 254 N 0.90 0.53 0.56 5.37 0.00 -0.77 0.61 103.07 110.28 1q3k h GLY 254 Ca 0.17 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1q3k h GLY 254 CO -0.01 0.37 -0.11 1.46 0.00 0.00 0.00 176.54 178.26 1q3k h GLN 255 N 0.44 0.16 0.01 4.80 1.08 -0.83 -2.87 115.11 117.91 1q3k h GLN 255 Ca 0.07 -0.11 -0.20 0.00 -1.45 0.00 0.00 58.65 56.97 1q3k h GLN 255 Cb 0.60 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.02 1q3k h GLN 255 CO 0.04 0.70 -0.92 0.93 -0.95 0.00 0.00 178.83 178.62 1q3k h GLU 256 N -0.35 0.06 -2.22 1.46 4.39 -1.14 -3.36 114.58 113.41 1q3k h GLU 256 Ca 0.00 -0.08 -0.59 0.00 0.34 0.00 0.00 59.36 59.03 1q3k h GLU 256 Cb 0.69 0.03 -0.42 0.00 -0.10 0.00 0.00 28.75 28.95 1q3k h GLU 256 CO 0.02 0.94 -0.67 1.19 -1.16 0.00 0.00 179.01 179.33 1q3k n PHE 257 N -3.51 3.49 -1.82 4.33 0.99 0.21 -5.08 117.46 116.07 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 0.86 -0.51 -0.03 0.00 -1.00 0.00 0.00 39.48 38.80 1q3k n PHE 257 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 1q3k s PRO 258 N -2.92 4.16 0.26 -1.08 0.02 -1.08 -4.64 135.00 129.72 1q3k s PRO 258 Ca 0.44 2.49 -0.30 0.00 0.02 0.00 0.00 61.00 63.66 1q3k s PRO 258 Cb 0.23 -3.22 -0.13 0.00 0.02 0.00 0.00 34.50 31.39 1q3k s PRO 258 CO -0.08 -0.71 1.30 -2.30 -0.33 0.00 0.00 177.00 174.87 1q3k n PRO 259 N 4.37 1.86 0.00 5.54 -0.02 -1.26 -5.08 135.00 140.40 1q3k n PRO 259 Ca 0.15 0.66 0.14 0.00 -2.02 0.00 0.00 63.50 62.43 1q3k n PRO 259 Cb 0.37 -2.24 0.48 0.00 -0.02 0.00 0.00 33.50 32.10 1q3k n PRO 259 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89