#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k6k s THR 14 N 0.00 3.92 0.09 2.12 2.01 -1.26 -5.06 115.64 117.45 3k6k s THR 14 Ca 0.00 1.91 0.02 0.00 0.31 0.00 0.00 61.69 63.93 3k6k s THR 14 Cb 0.00 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 3k6k s THR 14 CO 0.00 0.44 -0.08 -0.54 -0.69 0.00 0.00 174.62 173.75 3k6k s LYS 15 N -1.17 0.78 0.46 4.92 -0.14 -1.26 -4.86 119.74 118.47 3k6k s LYS 15 Ca 0.43 -1.17 -0.14 0.00 -1.36 0.00 0.00 55.97 53.73 3k6k s LYS 15 Cb -0.28 -0.33 -0.07 0.00 -1.68 0.00 0.00 37.83 35.47 3k6k s LYS 15 CO 0.35 0.03 0.88 -1.64 -0.76 0.00 0.00 175.35 174.20 3k6k s MET 16 N -3.06 3.87 0.24 1.68 -1.94 0.10 -5.04 119.30 115.15 3k6k s MET 16 Ca 0.06 0.73 -0.31 0.00 -1.71 0.00 0.00 55.69 54.45 3k6k s MET 16 Cb -0.00 -2.26 -0.11 0.00 2.01 0.00 0.00 34.83 34.47 3k6k s MET 16 CO -0.02 -0.15 1.59 0.34 -0.01 0.00 0.00 175.02 176.76 3k6k s ASP 17 N -3.09 6.47 0.41 3.03 -1.08 -1.26 -4.68 116.67 116.47 3k6k s ASP 17 Ca 0.55 2.81 0.17 0.00 -0.52 0.00 0.00 52.55 55.56 3k6k s ASP 17 Cb -0.10 -2.62 1.07 0.00 -1.46 0.00 0.00 42.92 39.81 3k6k s ASP 17 CO 0.31 -0.87 1.83 -0.65 0.52 0.00 0.00 175.17 176.32 3k6k h PRO 18 N 5.73 0.41 0.00 4.34 0.11 -1.93 0.99 132.00 141.65 3k6k h PRO 18 Ca -0.45 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3k6k h PRO 18 Cb 1.21 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3k6k h PRO 18 CO 0.85 0.27 -0.15 0.00 -0.21 0.00 0.00 178.00 178.77 3k6k h ARG 19 N 0.42 0.00 0.13 1.05 3.08 -1.91 -1.69 114.38 115.46 3k6k h ARG 19 Ca 0.50 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.27 3k6k h ARG 19 Cb 1.23 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.30 3k6k h ARG 19 CO -0.21 0.15 -1.23 -0.44 -1.07 0.00 0.00 179.97 177.17 3k6k h ASP 20 N 0.00 0.60 -0.36 7.04 3.32 -1.19 -2.68 116.42 123.15 3k6k h ASP 20 Ca -0.00 -0.59 -0.13 0.00 0.02 0.00 0.00 57.03 56.33 3k6k h ASP 20 Cb 0.59 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3k6k h ASP 20 CO 0.02 1.44 -0.25 0.15 -1.72 0.00 0.00 179.24 178.87 3k6k h PHE 21 N 0.15 1.00 -1.01 4.55 -0.00 -0.96 -1.98 116.94 118.70 3k6k h PHE 21 Ca -0.15 -0.25 0.08 0.00 -0.00 0.00 0.00 57.97 57.65 3k6k h PHE 21 Cb 1.92 -0.23 -0.07 0.00 -0.00 0.00 0.00 35.95 37.57 3k6k h PHE 21 CO 0.08 1.02 0.65 -0.07 -0.00 0.00 0.00 178.31 180.00 3k6k h LEU 22 N 0.75 1.02 -0.85 0.59 3.38 -1.27 -0.53 115.31 118.39 3k6k h LEU 22 Ca 0.09 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 3k6k h LEU 22 Cb 0.80 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3k6k h LEU 22 CO 0.07 0.63 -0.35 -0.61 0.09 0.00 0.00 178.44 178.26 3k6k h GLN 23 N 1.14 0.44 -0.43 1.13 5.75 -1.08 0.18 115.11 122.23 3k6k h GLN 23 Ca 0.45 -0.20 -0.11 0.00 -0.15 0.00 0.00 58.65 58.65 3k6k h GLN 23 Cb 0.24 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 3k6k h GLN 23 CO -0.19 0.73 -0.15 1.25 -2.65 0.00 0.00 178.83 177.82 3k6k h LEU 24 N 0.37 0.88 -0.90 -2.39 5.85 -0.59 -1.87 115.31 116.66 3k6k h LEU 24 Ca 0.04 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.35 3k6k h LEU 24 Cb 0.79 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3k6k h LEU 24 CO 0.06 1.06 0.40 -0.07 -0.34 0.00 0.00 178.44 179.56 3k6k h LEU 25 N 0.69 1.08 -0.31 2.25 3.38 -0.77 -2.71 115.31 118.93 3k6k h LEU 25 Ca 0.10 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.99 3k6k h LEU 25 Cb 0.70 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3k6k h LEU 25 CO 0.05 0.91 0.04 0.50 0.09 0.00 0.00 178.44 180.03 3k6k h LYS 26 N 1.18 0.14 -0.87 1.13 3.64 -0.38 -1.71 116.57 119.70 3k6k h LYS 26 Ca 0.29 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.67 3k6k h LYS 26 Cb 0.11 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 3k6k h LYS 26 CO -0.04 0.09 0.57 0.82 -2.27 0.00 0.00 179.45 178.63 3k6k h ILE 27 N 0.14 1.21 -0.22 2.00 2.04 -1.09 -0.51 117.51 121.07 3k6k h ILE 27 Ca 0.14 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 3k6k h ILE 27 Cb 0.17 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 3k6k h ILE 27 CO -0.21 0.21 -0.10 0.78 0.00 0.00 0.00 178.15 178.84 3k6k h ASN 28 N 1.16 0.34 -0.16 1.72 -0.26 -1.18 -2.73 115.58 114.46 3k6k h ASN 28 Ca 0.32 -0.07 -0.07 0.00 -0.56 0.00 0.00 56.30 55.92 3k6k h ASN 28 Cb -0.12 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 37.05 3k6k h ASN 28 CO -0.08 0.48 -0.19 0.00 -1.06 0.00 0.00 177.43 176.58 3k6k h ALA 29 N 1.56 0.24 -0.81 -0.83 0.00 -0.28 -3.02 119.26 116.12 3k6k h ALA 29 Ca 0.07 -0.35 0.16 0.00 0.00 0.00 0.00 54.91 54.79 3k6k h ALA 29 Cb 0.39 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.03 3k6k h ALA 29 CO 0.02 0.16 0.35 0.93 0.00 0.00 0.00 179.25 180.71 3k6k h GLU 30 N 0.04 0.45 -0.48 0.00 5.08 -0.97 -3.20 114.58 115.51 3k6k h GLU 30 Ca 0.02 -0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 58.08 3k6k h GLU 30 Cb 0.74 -0.10 -0.17 0.00 0.50 0.00 0.00 28.75 29.72 3k6k h GLU 30 CO 0.05 0.30 -0.05 1.63 -1.00 0.00 0.00 179.01 179.93 3k6k n LYS 31 N -4.99 2.09 -4.09 2.33 4.76 -1.05 -4.96 118.16 112.25 3k6k n LYS 31 Ca 0.17 -3.29 -0.31 0.00 -2.87 0.00 0.00 58.31 52.01 3k6k n LYS 31 Cb 0.48 -1.92 -0.07 0.00 -1.84 0.00 0.00 35.03 31.69 3k6k n LYS 31 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3k6k s ALA 32 N -3.34 3.50 0.43 7.82 0.00 -1.15 -4.99 121.76 124.05 3k6k s ALA 32 Ca 0.47 -1.00 -0.25 0.00 0.00 0.00 0.00 51.96 51.18 3k6k s ALA 32 Cb 0.42 -1.41 -0.08 0.00 0.00 0.00 0.00 23.12 22.05 3k6k s ALA 32 CO 0.01 0.73 1.36 -2.00 0.00 0.00 0.00 175.76 175.86 3k6k s GLU 33 N -2.22 3.79 0.19 0.00 2.12 -1.26 -4.93 118.70 116.39 3k6k s GLU 33 Ca 0.27 2.28 -0.07 0.00 0.36 0.00 0.00 54.97 57.81 3k6k s GLU 33 Cb -0.12 -2.68 0.11 0.00 0.26 0.00 0.00 34.13 31.71 3k6k s GLU 33 CO 0.19 -0.68 1.63 -0.22 -0.54 0.00 0.00 175.26 175.65 3k6k h LYS 34 N 2.44 0.96 -2.19 4.30 3.64 -1.98 -3.37 116.57 120.37 3k6k h LYS 34 Ca -0.50 -0.34 -0.58 0.00 -1.27 0.00 0.00 60.65 57.96 3k6k h LYS 34 Cb 1.26 -0.07 -0.39 0.00 -0.41 0.00 0.00 32.23 32.62 3k6k h LYS 34 CO 0.62 1.01 -0.97 0.09 -2.27 0.00 0.00 179.45 177.92 3k6k n ASN 35 N -4.15 0.67 -4.77 4.20 3.02 -1.26 -5.11 115.26 107.86 3k6k n ASN 35 Ca 0.02 -2.74 -0.36 0.00 -0.03 0.00 0.00 54.58 51.46 3k6k n ASN 35 Cb 0.39 -0.63 -0.01 0.00 -0.61 0.00 0.00 39.78 38.92 3k6k n ASN 35 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3k6k s LEU 36 N -1.06 3.97 0.40 3.41 1.43 -1.26 -4.96 118.68 120.61 3k6k s LEU 36 Ca 0.35 2.25 -0.27 0.00 -1.03 0.00 0.00 54.13 55.42 3k6k s LEU 36 Cb 0.12 -4.31 -0.09 0.00 0.03 0.00 0.00 46.19 41.94 3k6k s LEU 36 CO -0.12 -0.93 1.36 -2.84 0.23 0.00 0.00 176.35 174.04 3k6k s PRO 37 N -2.81 3.99 0.32 1.29 0.02 -1.26 -4.82 135.00 131.73 3k6k s PRO 37 Ca 0.65 2.28 0.01 0.00 0.02 0.00 0.00 61.00 63.96 3k6k s PRO 37 Cb -0.27 -2.82 0.54 0.00 0.02 0.00 0.00 34.50 31.98 3k6k s PRO 37 CO 0.32 -0.52 1.94 1.25 -0.33 0.00 0.00 177.00 179.66 3k6k h LEU 38 N 2.77 0.74 -1.77 -5.54 5.85 -1.99 0.14 115.31 115.50 3k6k h LEU 38 Ca -0.50 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 3k6k h LEU 38 Cb 1.25 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 3k6k h LEU 38 CO 0.63 0.62 -0.01 -2.24 -0.34 0.00 0.00 178.44 177.10 3k6k h ASP 39 N 0.83 0.11 0.34 1.25 -0.00 -1.98 -1.44 116.42 115.53 3k6k h ASP 39 Ca 0.21 -0.01 -0.28 0.00 -0.00 0.00 0.00 57.03 56.95 3k6k h ASP 39 Cb 0.06 -0.03 0.02 0.00 -0.00 0.00 0.00 39.33 39.38 3k6k h ASP 39 CO -0.03 0.15 -1.22 1.56 -0.00 0.00 0.00 179.24 179.70 3k6k h GLN 40 N 0.12 0.46 -0.55 4.15 4.20 -1.48 -1.59 115.11 120.44 3k6k h GLN 40 Ca 0.03 -0.66 -0.01 0.00 0.06 0.00 0.00 58.65 58.08 3k6k h GLN 40 Cb 0.11 0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 3k6k h GLN 40 CO 0.00 1.28 0.32 -0.22 -0.67 0.00 0.00 178.83 179.55 3k6k h LYS 41 N 0.19 0.75 -0.04 1.46 3.64 -0.48 0.27 116.57 122.36 3k6k h LYS 41 Ca -0.16 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.14 3k6k h LYS 41 Cb 1.90 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 33.56 3k6k h LYS 41 CO 0.22 0.55 0.01 0.00 -2.27 0.00 0.00 179.45 177.96 3k6k h ARG 42 N 0.73 0.06 -0.96 1.90 3.08 -1.32 0.23 114.38 118.10 3k6k h ARG 42 Ca 0.19 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.30 3k6k h ARG 42 Cb 0.00 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 29.98 3k6k h ARG 42 CO -0.04 0.23 0.62 0.00 -1.07 0.00 0.00 179.97 179.72 3k6k h ALA 43 N 0.83 1.45 0.04 0.04 0.00 -1.02 -1.00 119.26 119.60 3k6k h ALA 43 Ca 0.01 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 3k6k h ALA 43 Cb 0.19 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3k6k h ALA 43 CO -0.00 0.40 -1.06 0.78 0.00 0.00 0.00 179.25 179.37 3k6k h GLY 44 N 1.11 0.10 1.01 0.00 0.00 -0.22 -1.77 103.07 103.29 3k6k h GLY 44 Ca 0.41 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 3k6k h GLY 44 CO -0.16 0.22 0.51 1.98 0.00 0.00 0.00 176.54 179.09 3k6k h MET 45 N 0.03 1.09 -0.28 4.80 -1.53 -0.40 -2.54 114.93 116.10 3k6k h MET 45 Ca -0.05 -0.09 -0.01 0.00 -3.44 0.00 0.00 59.70 56.12 3k6k h MET 45 Cb 1.81 -0.23 -0.01 0.00 -0.55 0.00 0.00 31.60 32.62 3k6k h MET 45 CO 0.15 0.76 0.15 0.93 0.14 0.00 0.00 176.91 179.04 3k6k h GLU 46 N 1.11 0.39 -0.19 0.39 4.39 -0.97 -1.10 114.58 118.61 3k6k h GLU 46 Ca 0.29 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.88 3k6k h GLU 46 Cb -0.07 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.50 3k6k h GLU 46 CO -0.06 0.35 -0.12 0.00 -1.16 0.00 0.00 179.01 178.02 3k6k h ALA 47 N 1.02 0.27 -0.48 3.43 0.00 -1.30 -2.46 119.26 119.75 3k6k h ALA 47 Ca 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3k6k h ALA 47 Cb 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3k6k h ALA 47 CO -0.02 0.13 0.25 1.25 0.00 0.00 0.00 179.25 180.86 3k6k h LEU 48 N 0.10 0.62 -1.19 0.00 6.46 -1.47 -3.22 115.31 116.61 3k6k h LEU 48 Ca 0.04 -0.11 -0.06 0.00 -0.12 0.00 0.00 57.88 57.62 3k6k h LEU 48 Cb 0.62 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 3k6k h LEU 48 CO 0.03 0.55 -0.13 0.00 -0.62 0.00 0.00 178.44 178.28 3k6k h GLU 50 N 0.38 0.00 0.00 0.00 5.08 -1.45 -2.16 114.58 116.43 3k6k h GLU 50 Ca 0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3k6k h GLU 50 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 3k6k h GLU 50 CO 0.03 0.00 -0.13 0.00 -1.00 0.00 0.00 179.01 177.90 3k6k h ARG 51 N 0.00 0.00 -6.74 2.33 -0.00 -1.51 -3.45 114.38 105.00 3k6k h ARG 51 Ca 0.32 0.00 -0.49 0.00 -0.50 0.00 0.00 59.98 59.31 3k6k h ARG 51 Cb 1.50 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.45 3k6k h ARG 51 CO -0.00 0.13 0.22 -0.06 0.00 0.00 0.00 179.97 180.26 3k6k s PHE 52 N -3.96 3.62 0.72 3.04 0.08 -0.81 -5.03 117.98 115.63 3k6k s PHE 52 Ca -0.01 1.55 -0.12 0.00 0.12 0.00 0.00 56.93 58.46 3k6k s PHE 52 Cb 0.12 -2.75 0.03 0.00 -0.57 0.00 0.00 43.02 39.84 3k6k s PHE 52 CO 0.58 0.23 1.09 -1.25 -0.10 0.00 0.00 175.22 175.78 3k6k s PRO 53 N -2.17 2.57 0.09 0.24 0.04 -1.26 -4.81 135.00 129.70 3k6k s PRO 53 Ca 0.48 1.19 0.08 0.00 0.04 0.00 0.00 61.00 62.79 3k6k s PRO 53 Cb -0.16 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 3k6k s PRO 53 CO 0.21 -1.40 -0.21 1.03 0.04 0.00 0.00 177.00 176.67 3k6k s ARG 54 N -4.67 1.17 0.29 4.56 0.52 -1.26 -4.39 118.95 115.18 3k6k s ARG 54 Ca 0.62 -1.12 -0.29 0.00 -0.52 0.00 0.00 55.73 54.41 3k6k s ARG 54 Cb -0.17 -1.41 -0.10 0.00 0.52 0.00 0.00 34.95 33.78 3k6k s ARG 54 CO 0.51 0.33 1.43 0.00 0.02 0.00 0.00 175.30 177.60 3k6k s ALA 55 N -1.10 3.60 0.25 2.13 0.00 -1.26 -4.88 121.76 120.51 3k6k s ALA 55 Ca 0.07 1.38 -0.30 0.00 0.00 0.00 0.00 51.96 53.10 3k6k s ALA 55 Cb -0.10 -3.56 -0.11 0.00 0.00 0.00 0.00 23.12 19.36 3k6k s ALA 55 CO 0.04 -0.79 1.53 -2.00 0.00 0.00 0.00 175.76 174.54 3k6k s GLU 56 N -0.95 4.19 0.00 0.00 2.12 -1.26 -2.71 118.70 120.10 3k6k s GLU 56 Ca 0.56 2.44 0.00 0.00 0.36 0.00 0.00 54.97 58.33 3k6k s GLU 56 Cb -0.43 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 30.88 3k6k s GLU 56 CO 0.49 -0.55 0.00 0.41 -0.54 0.00 0.00 175.26 175.07 3k6k n GLY 57 N 2.48 0.75 3.53 -1.50 0.00 -1.26 -5.01 105.19 104.18 3k6k n GLY 57 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3k6k n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k6k s VAL 58 N -2.75 4.85 0.10 1.61 1.01 -1.10 -4.16 120.40 119.97 3k6k s VAL 58 Ca 0.00 0.26 -0.26 0.00 0.00 0.00 0.00 61.98 61.97 3k6k s VAL 58 Cb 0.00 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 3k6k s VAL 58 CO 0.00 -0.50 0.82 -1.61 0.00 0.00 0.00 175.10 173.81 3k6k s GLU 59 N 2.78 4.58 -0.46 2.72 2.02 -0.01 -4.83 118.70 125.50 3k6k s GLU 59 Ca 0.23 1.20 -0.10 0.00 0.02 0.00 0.00 54.97 56.32 3k6k s GLU 59 Cb -0.14 -3.33 0.11 0.00 0.10 0.00 0.00 34.13 30.86 3k6k s GLU 59 CO 0.18 0.36 0.34 -0.51 0.02 0.00 0.00 175.26 175.65 3k6k s LEU 60 N -0.42 5.60 -0.22 1.80 1.43 -1.26 -2.89 118.68 122.72 3k6k s LEU 60 Ca 0.40 -1.79 -0.14 0.00 -1.03 0.00 0.00 54.13 51.57 3k6k s LEU 60 Cb -0.22 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 3k6k s LEU 60 CO 0.26 -0.67 0.31 -0.89 0.23 0.00 0.00 176.35 175.59 3k6k s THR 61 N 1.40 5.26 -0.35 5.49 2.01 0.57 -4.94 115.64 125.08 3k6k s THR 61 Ca 0.05 0.51 -0.25 0.00 0.31 0.00 0.00 61.69 62.31 3k6k s THR 61 Cb -0.26 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.62 3k6k s THR 61 CO 0.00 0.29 0.90 -0.76 -0.69 0.00 0.00 174.62 174.36 3k6k s LEU 62 N 1.22 4.02 0.00 4.42 1.43 -1.26 -0.30 118.68 128.21 3k6k s LEU 62 Ca 0.15 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 3k6k s LEU 62 Cb -0.14 -3.23 0.00 0.00 0.03 0.00 0.00 46.19 42.85 3k6k s LEU 62 CO 0.07 -0.79 0.00 1.07 0.23 0.00 0.00 176.35 176.92 3k6k n THR 63 N 5.85 0.00 -4.05 5.49 5.66 0.81 -4.96 114.28 123.07 3k6k n THR 63 Ca 0.07 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.99 3k6k n THR 63 Cb 0.48 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.16 3k6k n THR 63 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3k6k s ASP 64 N 1.16 0.41 -0.20 1.09 -4.77 -1.26 -0.58 116.67 112.51 3k6k s ASP 64 Ca 0.00 -0.86 -0.00 0.00 -3.30 0.00 0.00 52.55 48.39 3k6k s ASP 64 Cb 0.00 0.18 0.05 0.00 -1.09 0.00 0.00 42.92 42.06 3k6k s ASP 64 CO 0.00 -0.53 -0.04 -0.76 0.70 0.00 0.00 175.17 174.54 3k6k s LEU 65 N -2.54 2.00 -1.45 2.11 1.43 -0.08 -4.80 118.68 115.35 3k6k s LEU 65 Ca 0.01 -0.92 -0.10 0.00 -1.03 0.00 0.00 54.13 52.09 3k6k s LEU 65 Cb 0.03 -1.00 0.06 0.00 0.03 0.00 0.00 46.19 45.31 3k6k s LEU 65 CO -0.08 -0.22 0.75 0.61 0.23 0.00 0.00 176.35 177.64 3k6k n GLY 66 N 4.80 -0.50 0.84 -3.19 0.00 -1.26 -1.98 105.19 103.89 3k6k n GLY 66 Ca -0.12 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3k6k n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k6k n GLY 67 N -1.51 0.80 3.67 -0.02 0.00 -1.26 -4.83 105.19 102.05 3k6k n GLY 67 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3k6k n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k6k s VAL 68 N -2.33 5.34 0.36 1.61 1.01 -0.84 -5.05 120.40 120.50 3k6k s VAL 68 Ca 0.00 0.26 -0.28 0.00 0.00 0.00 0.00 61.98 61.96 3k6k s VAL 68 Cb 0.00 -3.53 -0.10 0.00 0.00 0.00 0.00 36.38 32.75 3k6k s VAL 68 CO 0.00 0.34 1.35 -2.84 0.00 0.00 0.00 175.10 173.96 3k6k s PRO 69 N 1.01 4.19 0.10 2.72 0.02 -1.26 -0.90 135.00 140.88 3k6k s PRO 69 Ca 0.09 2.30 -0.12 0.00 0.02 0.00 0.00 61.00 63.29 3k6k s PRO 69 Cb -0.13 -2.96 0.02 0.00 0.02 0.00 0.00 34.50 31.44 3k6k s PRO 69 CO 0.04 -0.36 0.29 0.00 -0.33 0.00 0.00 177.00 176.65 3k6k s ILE 71 N -3.76 4.53 0.16 0.00 1.01 -0.83 -0.13 121.20 122.18 3k6k s ILE 71 Ca 0.03 -0.51 -0.21 0.00 0.00 0.00 0.00 60.65 59.97 3k6k s ILE 71 Cb 0.03 -3.34 -0.08 0.00 0.01 0.00 0.00 42.46 39.08 3k6k s ILE 71 CO -0.11 0.03 0.68 -0.60 0.00 0.00 0.00 174.94 174.94 3k6k s ARG 72 N 1.59 4.30 -0.07 2.79 3.52 0.59 -1.00 118.95 130.66 3k6k s ARG 72 Ca 0.04 0.88 -0.04 0.00 -0.13 0.00 0.00 55.73 56.48 3k6k s ARG 72 Cb -0.17 -3.08 0.04 0.00 -1.56 0.00 0.00 34.95 30.18 3k6k s ARG 72 CO 0.06 0.51 0.17 -0.65 -0.81 0.00 0.00 175.30 174.59 3k6k s GLN 73 N -1.53 0.14 -0.20 5.12 -0.21 0.11 -0.32 119.66 122.76 3k6k s GLN 73 Ca 0.37 0.39 -0.33 0.00 0.02 0.00 0.00 55.36 55.81 3k6k s GLN 73 Cb -0.19 -0.12 0.15 0.00 1.00 0.00 0.00 33.01 33.85 3k6k s GLN 73 CO 0.22 -0.14 1.20 0.00 -2.12 0.00 0.00 175.29 174.45 3k6k s ALA 74 N 1.02 -2.05 0.47 6.09 0.00 -1.14 0.10 121.76 126.24 3k6k s ALA 74 Ca -0.08 1.66 -0.11 0.00 0.00 0.00 0.00 51.96 53.43 3k6k s ALA 74 Cb -0.10 -0.55 -0.06 0.00 0.00 0.00 0.00 23.12 22.41 3k6k s ALA 74 CO -0.06 -0.46 0.86 0.95 0.00 0.00 0.00 175.76 177.05 3k6k s THR 75 N -1.87 4.73 0.40 0.00 -4.23 -1.26 -0.82 115.64 112.59 3k6k s THR 75 Ca 0.07 0.74 0.23 0.00 -1.18 0.00 0.00 61.69 61.55 3k6k s THR 75 Cb -0.01 -3.76 0.41 0.00 1.34 0.00 0.00 72.50 70.48 3k6k s THR 75 CO -0.05 -0.68 1.65 -0.78 -0.54 0.00 0.00 174.62 174.22 3k6k h ASP 76 N 0.84 0.36 -0.12 3.99 -0.00 -2.00 -2.72 116.42 116.78 3k6k h ASP 76 Ca -0.47 0.16 0.00 0.00 -0.00 0.00 0.00 57.03 56.73 3k6k h ASP 76 Cb 1.19 0.13 0.00 0.00 -0.00 0.00 0.00 39.33 40.65 3k6k h ASP 76 CO 0.63 -0.17 0.00 0.61 -0.00 0.00 0.00 179.24 180.31 3k6k n GLY 77 N -1.42 -0.15 3.73 -0.78 0.00 -1.26 -4.97 105.19 100.35 3k6k n GLY 77 Ca 0.34 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3k6k n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k6k s ALA 78 N -1.77 3.41 1.00 4.61 0.00 -1.03 -5.02 121.76 122.96 3k6k s ALA 78 Ca 0.08 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.94 3k6k s ALA 78 Cb 0.05 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.77 3k6k s ALA 78 CO 0.05 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.89 3k6k n GLY 79 N 2.27 -3.17 1.13 0.00 0.00 -0.37 -4.97 105.19 100.09 3k6k n GLY 79 Ca 0.04 -1.29 0.11 0.00 0.00 0.00 0.00 46.02 44.88 3k6k n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k6k n ALA 80 N -3.00 2.39 -1.77 4.61 0.00 -1.26 -4.65 120.51 116.83 3k6k n ALA 80 Ca 0.00 -1.08 -0.38 0.00 0.00 0.00 0.00 53.44 51.98 3k6k n ALA 80 Cb 0.00 -0.82 -0.00 0.00 0.00 0.00 0.00 19.45 18.63 3k6k n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k6k s ALA 81 N -1.28 3.07 -0.02 0.00 0.00 -1.26 -4.96 121.76 117.31 3k6k s ALA 81 Ca 0.39 1.10 0.07 0.00 0.00 0.00 0.00 51.96 53.51 3k6k s ALA 81 Cb 0.22 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 3k6k s ALA 81 CO 0.30 -0.80 -0.22 -1.01 0.00 0.00 0.00 175.76 174.03 3k6k s HIS 82 N -1.39 1.99 -0.19 0.00 0.09 0.67 -1.75 115.29 114.71 3k6k s HIS 82 Ca 0.61 -0.41 -0.03 0.00 -0.00 0.00 0.00 55.06 55.24 3k6k s HIS 82 Cb -0.34 -1.29 -0.01 0.00 -0.00 0.00 0.00 32.58 30.95 3k6k s HIS 82 CO 0.42 -0.06 -0.07 0.42 -0.00 0.00 0.00 174.74 175.44 3k6k s ILE 83 N -0.44 3.27 -0.35 0.60 1.01 -0.17 -1.39 121.20 123.72 3k6k s ILE 83 Ca 0.06 -0.55 -0.12 0.00 0.00 0.00 0.00 60.65 60.05 3k6k s ILE 83 Cb -0.09 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.93 3k6k s ILE 83 CO -0.00 0.46 0.21 -0.22 0.00 0.00 0.00 174.94 175.40 3k6k s LEU 84 N 1.04 4.53 -0.15 2.97 2.96 0.17 -0.74 118.68 129.46 3k6k s LEU 84 Ca 0.00 -0.66 -0.05 0.00 -0.22 0.00 0.00 54.13 53.20 3k6k s LEU 84 Cb -0.15 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 3k6k s LEU 84 CO -0.01 -0.29 0.03 -0.47 -1.32 0.00 0.00 176.35 174.29 3k6k s TYR 85 N 1.64 3.20 -0.17 5.38 6.14 -0.33 -1.94 117.35 131.26 3k6k s TYR 85 Ca 0.05 0.05 -0.01 0.00 0.64 0.00 0.00 57.07 57.79 3k6k s TYR 85 Cb -0.18 -1.97 -0.00 0.00 0.42 0.00 0.00 41.96 40.23 3k6k s TYR 85 CO 0.08 0.23 -0.13 -0.06 0.64 0.00 0.00 175.55 176.31 3k6k s PHE 86 N -0.05 2.83 0.70 4.97 0.08 0.03 -1.06 117.98 125.49 3k6k s PHE 86 Ca 0.05 -1.04 -0.11 0.00 0.12 0.00 0.00 56.93 55.94 3k6k s PHE 86 Cb -0.12 -1.94 0.01 0.00 -0.57 0.00 0.00 43.02 40.40 3k6k s PHE 86 CO 0.02 -0.50 1.07 -3.38 -0.10 0.00 0.00 175.22 172.33 3k6k s HIS 87 N 0.98 3.25 0.33 0.36 -3.43 -1.26 -2.83 115.29 112.69 3k6k s HIS 87 Ca -0.02 1.20 0.05 0.00 -0.80 0.00 0.00 55.06 55.49 3k6k s HIS 87 Cb -0.15 -2.96 0.05 0.00 -1.43 0.00 0.00 32.58 28.09 3k6k s HIS 87 CO -0.02 -1.20 0.42 0.41 -2.00 0.00 0.00 174.74 172.35 3k6k n GLY 88 N -2.55 2.12 0.00 -1.38 0.00 -1.21 -2.22 105.19 99.95 3k6k n GLY 88 Ca 0.07 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.89 3k6k n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k6k n GLY 89 N 0.95 0.61 2.31 -0.02 0.00 -1.26 -4.25 105.19 103.53 3k6k n GLY 89 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 3k6k n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k6k n GLY 90 N 0.00 1.01 3.11 -0.02 0.00 -1.26 -1.55 105.19 106.47 3k6k n GLY 90 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3k6k n GLY 90 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3k6k n TYR 91 N -2.69 0.00 -0.12 1.61 4.02 -1.26 -4.65 117.16 114.08 3k6k n TYR 91 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 3k6k n TYR 91 Cb 0.31 -1.34 0.00 0.00 -0.02 0.00 0.00 39.34 38.29 3k6k n TYR 91 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 3k6k n ILE 92 N -2.16 0.00 -3.99 -0.72 -5.35 -0.60 -1.60 119.36 104.93 3k6k n ILE 92 Ca 0.00 -0.39 -0.11 0.00 -0.27 0.00 0.00 62.75 61.97 3k6k n ILE 92 Cb 0.23 1.12 -0.03 0.00 -1.74 0.00 0.00 39.64 39.22 3k6k n ILE 92 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3k6k s SER 93 N -0.34 0.36 0.00 7.28 1.04 -0.66 -4.71 113.70 116.67 3k6k s SER 93 Ca 0.00 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.22 3k6k s SER 93 Cb 0.00 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.80 3k6k s SER 93 CO 0.00 -1.33 0.00 0.61 0.98 0.00 0.00 173.24 173.50 3k6k n GLY 94 N -0.49 2.02 3.68 7.32 0.00 -1.26 -4.07 105.19 112.39 3k6k n GLY 94 Ca -0.02 -2.06 -0.02 0.00 0.00 0.00 0.00 46.02 43.93 3k6k n GLY 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k6k s SER 95 N 0.00 -0.13 0.38 1.61 1.04 -1.26 -4.96 113.70 110.37 3k6k s SER 95 Ca 0.00 -0.26 0.10 0.00 0.48 0.00 0.00 55.95 56.27 3k6k s SER 95 Cb 0.00 0.33 0.86 0.00 0.10 0.00 0.00 66.02 67.31 3k6k s SER 95 CO 0.00 -0.61 1.91 -0.65 0.98 0.00 0.00 173.24 174.87 3k6k h PRO 96 N 2.00 0.62 0.03 4.02 0.11 -1.84 -2.72 132.00 134.22 3k6k h PRO 96 Ca -0.26 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 3k6k h PRO 96 Cb 1.22 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3k6k h PRO 96 CO 0.27 0.41 -0.02 0.77 -0.21 0.00 0.00 178.00 179.22 3k6k h SER 97 N 0.63 -0.04 0.00 -2.05 0.02 -1.95 -2.44 113.55 107.73 3k6k h SER 97 Ca 0.39 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3k6k h SER 97 Cb 0.62 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3k6k h SER 97 CO -0.15 0.12 0.18 0.71 -1.14 0.00 0.00 176.83 176.55 3k6k h THR 98 N -0.20 0.00 -0.10 -2.27 1.35 -1.84 -2.79 112.91 107.05 3k6k h THR 98 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3k6k h THR 98 Cb 0.18 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 3k6k h THR 98 CO 0.01 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.69 3k6k n HIS 99 N -2.84 0.13 -0.28 4.73 8.25 -0.97 -4.58 115.22 119.67 3k6k n HIS 99 Ca -0.02 -0.16 0.08 0.00 -0.26 0.00 0.00 57.72 57.36 3k6k n HIS 99 Cb 0.23 -0.01 0.19 0.00 1.12 0.00 0.00 29.99 31.53 3k6k n HIS 99 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3k6k h LEU 100 N 1.86 -0.34 -0.74 2.41 3.38 -1.16 0.39 115.31 121.10 3k6k h LEU 100 Ca 0.00 0.21 0.17 0.00 0.09 0.00 0.00 57.88 58.35 3k6k h LEU 100 Cb 0.50 0.36 -0.13 0.00 0.09 0.00 0.00 40.66 41.49 3k6k h LEU 100 CO 0.00 -0.21 0.02 1.62 0.09 0.00 0.00 178.44 179.96 3k6k h VAL 101 N 0.10 0.37 0.02 1.22 3.04 -1.81 -0.84 116.25 118.35 3k6k h VAL 101 Ca 0.46 -0.04 -0.00 0.00 -1.01 0.00 0.00 66.70 66.11 3k6k h VAL 101 Cb 0.85 0.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.37 3k6k h VAL 101 CO -0.71 0.02 -0.01 0.25 -1.01 0.00 0.00 177.57 176.11 3k6k h LEU 102 N 0.12 -0.02 -0.68 3.16 5.85 -0.61 -3.35 115.31 119.78 3k6k h LEU 102 Ca 0.40 -0.72 -0.13 0.00 0.84 0.00 0.00 57.88 58.27 3k6k h LEU 102 Cb 0.71 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 3k6k h LEU 102 CO -0.64 0.74 -0.63 0.71 -0.34 0.00 0.00 178.44 178.28 3k6k h THR 103 N -0.82 1.40 -0.24 1.05 1.35 -0.78 -2.05 112.91 112.82 3k6k h THR 103 Ca -0.00 -2.21 -0.10 0.00 -0.55 0.00 0.00 66.41 63.55 3k6k h THR 103 Cb 0.74 2.21 -0.01 0.00 -1.73 0.00 0.00 68.15 69.36 3k6k h THR 103 CO 0.00 0.62 -0.27 0.71 -0.25 0.00 0.00 175.52 176.33 3k6k h THR 104 N 0.00 1.27 -0.22 6.82 1.35 -1.35 0.23 112.91 121.02 3k6k h THR 104 Ca -0.01 -1.30 -0.05 0.00 -0.55 0.00 0.00 66.41 64.50 3k6k h THR 104 Cb 1.16 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 68.96 3k6k h THR 104 CO 0.08 0.41 -0.04 1.56 -0.25 0.00 0.00 175.52 177.28 3k6k h GLN 105 N 0.41 0.41 -0.53 4.72 1.08 -1.55 -1.79 115.11 117.87 3k6k h GLN 105 Ca 0.06 -0.15 0.09 0.00 -1.45 0.00 0.00 58.65 57.19 3k6k h GLN 105 Cb 0.69 -0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 28.03 3k6k h GLN 105 CO 0.05 0.64 0.13 -0.07 -0.95 0.00 0.00 178.83 178.63 3k6k h LEU 106 N 0.15 0.05 0.28 1.46 3.38 -1.01 -2.00 115.31 117.62 3k6k h LEU 106 Ca 0.06 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3k6k h LEU 106 Cb 0.48 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3k6k h LEU 106 CO 0.02 0.05 -0.13 0.00 0.09 0.00 0.00 178.44 178.47 3k6k h ALA 107 N 1.40 -0.37 0.43 1.53 0.00 -0.83 -2.22 119.26 119.19 3k6k h ALA 107 Ca 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3k6k h ALA 107 Cb 0.35 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3k6k h ALA 107 CO -0.32 -0.66 -0.23 -0.22 0.00 0.00 0.00 179.25 177.81 3k6k h LYS 108 N -0.46 -0.59 0.00 0.00 3.64 -1.15 -2.23 116.57 115.78 3k6k h LYS 108 Ca -0.04 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3k6k h LYS 108 Cb 0.35 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3k6k h LYS 108 CO 0.06 -0.39 0.00 1.04 -2.27 0.00 0.00 179.45 177.89 3k6k n GLN 109 N -5.37 0.08 -0.06 1.90 6.02 -0.77 -2.68 117.38 116.51 3k6k n GLN 109 Ca -0.11 0.32 0.06 0.00 -0.01 0.00 0.00 57.00 57.26 3k6k n GLN 109 Cb 0.27 -1.66 0.08 0.00 1.02 0.00 0.00 30.24 29.95 3k6k n GLN 109 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3k6k n SER 110 N -1.81 2.25 -3.77 1.08 3.41 -0.83 -4.78 113.62 109.17 3k6k n SER 110 Ca 0.03 -1.64 -0.29 0.00 -0.26 0.00 0.00 58.87 56.71 3k6k n SER 110 Cb 0.19 -0.07 -0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3k6k n SER 110 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3k6k n SER 111 N 0.60 -3.87 -4.67 4.04 7.64 -0.86 -4.83 113.62 111.68 3k6k n SER 111 Ca 0.08 -0.68 -0.24 0.00 1.01 0.00 0.00 58.87 59.04 3k6k n SER 111 Cb 0.33 -3.16 -0.08 0.00 -1.01 0.00 0.00 64.21 60.29 3k6k n SER 111 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k6k s ALA 112 N -3.13 3.32 -0.26 -0.43 0.00 -1.09 -1.24 121.76 118.93 3k6k s ALA 112 Ca 0.58 -1.96 -0.13 0.00 0.00 0.00 0.00 51.96 50.45 3k6k s ALA 112 Cb -0.30 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 3k6k s ALA 112 CO 0.71 0.02 0.26 0.99 0.00 0.00 0.00 175.76 177.75 3k6k s THR 113 N -2.51 5.26 -0.06 0.00 2.01 -0.72 -4.51 115.64 115.11 3k6k s THR 113 Ca 0.36 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.71 3k6k s THR 113 Cb 0.00 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 3k6k s THR 113 CO 0.20 0.23 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.11 3k6k s LEU 114 N 1.72 3.33 -0.29 4.42 0.20 0.11 -1.00 118.68 127.17 3k6k s LEU 114 Ca 0.11 0.01 0.02 0.00 0.69 0.00 0.00 54.13 54.96 3k6k s LEU 114 Cb -0.15 -1.78 0.08 0.00 -0.43 0.00 0.00 46.19 43.90 3k6k s LEU 114 CO 0.09 0.35 -0.01 0.26 -0.29 0.00 0.00 176.35 176.75 3k6k s TRP 115 N -0.89 2.98 -0.42 5.38 0.52 0.08 0.04 118.94 126.63 3k6k s TRP 115 Ca 0.14 -2.32 -0.21 0.00 0.02 0.00 0.00 56.10 53.74 3k6k s TRP 115 Cb -0.11 -2.14 0.02 0.00 -1.15 0.00 0.00 33.47 30.09 3k6k s TRP 115 CO 0.04 -0.87 0.64 0.45 0.02 0.00 0.00 176.95 177.22 3k6k s SER 116 N 1.19 6.34 0.14 2.95 0.15 -0.17 -1.19 113.70 123.10 3k6k s SER 116 Ca 0.01 -0.24 -0.30 0.00 0.70 0.00 0.00 55.95 56.12 3k6k s SER 116 Cb -0.19 -2.32 -0.07 0.00 -1.71 0.00 0.00 66.02 61.74 3k6k s SER 116 CO -0.09 -0.73 1.04 -0.22 1.20 0.00 0.00 173.24 174.43 3k6k s LEU 117 N 2.78 4.49 -1.18 3.45 2.96 -0.22 -1.98 118.68 128.98 3k6k s LEU 117 Ca 0.23 1.94 -0.05 0.00 -0.22 0.00 0.00 54.13 56.03 3k6k s LEU 117 Cb -0.14 -3.59 0.09 0.00 0.50 0.00 0.00 46.19 43.05 3k6k s LEU 117 CO 0.18 -0.16 2.50 -0.67 -1.32 0.00 0.00 176.35 176.88 3k6k n ASP 118 N 2.66 7.80 -4.52 3.68 -0.08 0.66 -4.49 116.55 122.26 3k6k n ASP 118 Ca 0.03 -3.11 -0.33 0.00 -1.51 0.00 0.00 54.79 49.87 3k6k n ASP 118 Cb 0.48 -1.35 0.13 0.00 2.34 0.00 0.00 41.12 42.72 3k6k n ASP 118 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3k6k n TYR 119 N 1.69 -0.46 -2.43 -0.67 0.18 -1.26 -4.57 117.16 109.65 3k6k n TYR 119 Ca 0.61 0.31 -0.41 0.00 1.88 0.00 0.00 57.90 60.29 3k6k n TYR 119 Cb 0.30 -1.89 -0.04 0.00 -0.38 0.00 0.00 39.34 37.33 3k6k n TYR 119 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 3k6k s ARG 120 N -3.89 4.55 0.40 -3.48 0.52 -1.26 -5.02 118.95 110.77 3k6k s ARG 120 Ca 0.62 1.83 0.02 0.00 -0.52 0.00 0.00 55.73 57.68 3k6k s ARG 120 Cb -0.24 -3.23 -0.01 0.00 0.52 0.00 0.00 34.95 31.99 3k6k s ARG 120 CO 0.62 0.03 0.60 -0.51 0.02 0.00 0.00 175.30 176.06 3k6k s LEU 121 N -0.66 3.81 0.27 2.53 1.43 -1.26 -3.90 118.68 120.90 3k6k s LEU 121 Ca 0.50 0.24 0.08 0.00 -1.03 0.00 0.00 54.13 53.91 3k6k s LEU 121 Cb -0.32 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 3k6k s LEU 121 CO 0.38 -0.54 0.13 0.00 0.23 0.00 0.00 176.35 176.55 3k6k s ALA 122 N -2.42 3.46 -1.58 4.21 0.00 -0.63 -1.29 121.76 123.51 3k6k s ALA 122 Ca 0.45 -1.53 0.30 0.00 0.00 0.00 0.00 51.96 51.18 3k6k s ALA 122 Cb -0.10 -1.09 1.53 0.00 0.00 0.00 0.00 23.12 23.47 3k6k s ALA 122 CO 0.36 0.23 2.05 -0.35 0.00 0.00 0.00 175.76 178.04 3k6k n PRO 123 N -1.10 0.59 0.07 0.00 -0.04 -1.26 -4.30 135.00 128.96 3k6k n PRO 123 Ca -0.07 -0.05 -0.11 0.00 -0.04 0.00 0.00 63.50 63.23 3k6k n PRO 123 Cb 0.59 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.48 3k6k n PRO 123 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3k6k h GLU 124 N 0.13 -0.47 -4.55 0.54 9.09 -1.93 -3.35 114.58 114.04 3k6k h GLU 124 Ca 0.00 0.03 -0.69 0.00 0.05 0.00 0.00 59.36 58.75 3k6k h GLU 124 Cb 0.25 0.11 -0.34 0.00 -1.65 0.00 0.00 28.75 27.11 3k6k h GLU 124 CO 0.00 -0.31 -0.59 -0.80 0.05 0.00 0.00 179.01 177.36 3k6k s ASN 125 N -3.88 5.17 1.03 3.06 -0.87 -0.41 -5.11 114.94 113.94 3k6k s ASN 125 Ca -0.11 -1.88 -0.17 0.00 -1.57 0.00 0.00 52.86 49.14 3k6k s ASN 125 Cb 0.04 -1.80 0.22 0.00 -0.02 0.00 0.00 41.25 39.69 3k6k s ASN 125 CO 0.39 -0.48 1.23 -2.84 -2.57 0.00 0.00 177.10 172.83 3k6k s PRO 126 N 1.16 0.11 0.16 -0.60 0.02 -1.26 -3.22 135.00 131.36 3k6k s PRO 126 Ca 0.06 -0.20 -0.34 0.00 0.02 0.00 0.00 61.00 60.54 3k6k s PRO 126 Cb -0.22 -1.76 -0.16 0.00 0.02 0.00 0.00 34.50 32.38 3k6k s PRO 126 CO -0.04 -2.80 1.24 0.34 -0.33 0.00 0.00 177.00 175.41 3k6k n PHE 127 N -4.09 1.46 -0.77 6.54 7.35 0.48 -0.91 117.46 127.52 3k6k n PHE 127 Ca 0.13 0.63 0.03 0.00 -0.76 0.00 0.00 57.45 57.48 3k6k n PHE 127 Cb 0.59 -2.32 0.35 0.00 0.35 0.00 0.00 39.48 38.45 3k6k n PHE 127 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3k6k n PRO 128 N 2.02 4.28 0.14 -7.13 -0.04 -1.26 -4.98 135.00 128.02 3k6k n PRO 128 Ca 0.16 -2.87 -0.14 0.00 -0.04 0.00 0.00 63.50 60.61 3k6k n PRO 128 Cb 0.24 -2.19 -0.06 0.00 -0.04 0.00 0.00 33.50 31.45 3k6k n PRO 128 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k6k h ALA 129 N 3.49 -0.59 -0.94 0.55 0.00 -1.29 -1.53 119.26 118.95 3k6k h ALA 129 Ca 0.07 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3k6k h ALA 129 Cb 1.97 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 20.22 3k6k h ALA 129 CO 0.52 -0.88 0.61 0.00 0.00 0.00 0.00 179.25 179.50 3k6k h ALA 130 N 0.04 1.26 -0.19 0.00 0.00 -1.81 -1.30 119.26 117.26 3k6k h ALA 130 Ca 0.02 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3k6k h ALA 130 Cb 0.59 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3k6k h ALA 130 CO -0.16 0.47 -0.04 0.28 0.00 0.00 0.00 179.25 179.80 3k6k h VAL 131 N 1.17 0.82 -0.18 0.00 2.07 -1.82 -0.97 116.25 117.34 3k6k h VAL 131 Ca 0.38 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 67.83 3k6k h VAL 131 Cb 0.03 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3k6k h VAL 131 CO -0.13 0.00 -0.18 0.44 0.02 0.00 0.00 177.57 177.72 3k6k h ASP 132 N 0.01 0.30 -0.08 0.57 3.45 -0.24 -1.12 116.42 119.31 3k6k h ASP 132 Ca 0.09 -0.08 -0.00 0.00 0.43 0.00 0.00 57.03 57.47 3k6k h ASP 132 Cb 0.13 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 38.82 3k6k h ASP 132 CO -0.18 0.50 0.05 0.44 -1.57 0.00 0.00 179.24 178.47 3k6k h ASP 133 N 0.29 0.10 -0.34 6.45 5.19 -1.23 0.12 116.42 126.99 3k6k h ASP 133 Ca 0.05 -0.06 0.04 0.00 -0.62 0.00 0.00 57.03 56.44 3k6k h ASP 133 Cb 0.49 -0.02 -0.04 0.00 0.18 0.00 0.00 39.33 39.93 3k6k h ASP 133 CO 0.03 0.13 0.12 0.00 -3.12 0.00 0.00 179.24 176.40 3k6k h VAL 135 N 0.27 1.11 -0.86 0.00 2.07 -1.15 -0.55 116.25 117.14 3k6k h VAL 135 Ca 0.16 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.41 3k6k h VAL 135 Cb 0.13 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 3k6k h VAL 135 CO -0.16 0.11 0.57 0.00 0.02 0.00 0.00 177.57 178.11 3k6k h ALA 136 N 1.05 1.09 -0.40 1.67 0.00 -0.34 -0.11 119.26 122.22 3k6k h ALA 136 Ca 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3k6k h ALA 136 Cb 0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3k6k h ALA 136 CO -0.02 0.50 0.08 0.00 0.00 0.00 0.00 179.25 179.81 3k6k h ALA 137 N 1.32 0.52 0.10 0.00 0.00 0.03 -1.71 119.26 119.53 3k6k h ALA 137 Ca 0.32 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3k6k h ALA 137 Cb -0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3k6k h ALA 137 CO -0.07 0.22 -0.13 -0.92 0.00 0.00 0.00 179.25 178.35 3k6k h TYR 138 N 0.50 -0.34 -0.53 0.00 -0.00 -0.72 0.51 116.97 116.40 3k6k h TYR 138 Ca 0.12 0.00 0.11 0.00 -0.00 0.00 0.00 58.73 58.96 3k6k h TYR 138 Cb 0.34 0.14 -0.10 0.00 -0.00 0.00 0.00 36.73 37.11 3k6k h TYR 138 CO 0.02 -0.20 -0.13 -0.09 -0.00 0.00 0.00 178.16 177.76 3k6k h ARG 139 N -0.27 0.00 -0.26 1.82 2.43 -0.88 0.32 114.38 117.53 3k6k h ARG 139 Ca 0.01 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 3k6k h ARG 139 Cb 0.28 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 3k6k h ARG 139 CO -0.06 0.00 -0.11 0.00 -1.51 0.00 0.00 179.97 178.29 3k6k h ALA 140 N 1.53 1.32 -0.02 2.80 0.00 -0.71 -2.45 119.26 121.72 3k6k h ALA 140 Ca 0.25 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 3k6k h ALA 140 Cb 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3k6k h ALA 140 CO -0.54 0.46 -0.71 1.25 0.00 0.00 0.00 179.25 179.71 3k6k h LEU 141 N 0.41 0.12 -0.51 0.00 5.85 0.27 -2.95 115.31 118.51 3k6k h LEU 141 Ca 0.08 -0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.81 3k6k h LEU 141 Cb 0.45 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 3k6k h LEU 141 CO 0.03 0.79 0.05 -0.07 -0.34 0.00 0.00 178.44 178.90 3k6k h LEU 142 N 0.07 -0.11 -0.44 2.25 3.38 -0.01 0.22 115.31 120.66 3k6k h LEU 142 Ca -0.01 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3k6k h LEU 142 Cb 1.26 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.16 3k6k h LEU 142 CO 0.10 -0.03 0.25 0.11 0.09 0.00 0.00 178.44 178.97 3k6k h LYS 143 N 0.17 0.61 -0.34 1.13 1.57 -1.52 0.13 116.57 118.32 3k6k h LYS 143 Ca 0.26 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 3k6k h LYS 143 Cb 0.37 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3k6k h LYS 143 CO -0.38 0.47 -0.00 1.15 -0.57 0.00 0.00 179.45 180.12 3k6k h THR 144 N 0.58 1.26 0.00 -0.16 2.02 -1.28 -3.10 112.91 112.23 3k6k h THR 144 Ca 0.16 -0.98 -0.00 0.00 0.77 0.00 0.00 66.41 66.36 3k6k h THR 144 Cb 0.03 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3k6k h THR 144 CO -0.03 0.32 -0.00 0.00 0.37 0.00 0.00 175.52 176.18 3k6k h ALA 145 N 0.85 1.00 0.00 6.16 0.00 -0.61 -3.47 119.26 123.19 3k6k h ALA 145 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3k6k h ALA 145 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3k6k h ALA 145 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3k6k n GLY 146 N 0.80 2.95 3.59 0.00 0.00 0.45 -4.92 105.19 108.06 3k6k n GLY 146 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 3k6k n GLY 146 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k6k s SER 147 N -2.17 -0.69 0.11 1.61 0.15 -1.20 -4.95 113.70 106.55 3k6k s SER 147 Ca 0.00 1.11 0.17 0.00 0.70 0.00 0.00 55.95 57.93 3k6k s SER 147 Cb 0.00 1.05 0.74 0.00 -1.71 0.00 0.00 66.02 66.10 3k6k s SER 147 CO 0.00 -0.39 1.54 0.00 1.20 0.00 0.00 173.24 175.59 3k6k n ALA 148 N 1.91 1.60 1.01 5.45 0.00 -1.26 -3.19 120.51 126.02 3k6k n ALA 148 Ca -0.16 0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.40 3k6k n ALA 148 Cb 0.56 -1.28 0.32 0.00 0.00 0.00 0.00 19.45 19.04 3k6k n ALA 148 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3k6k n ASP 149 N -1.81 2.02 -0.08 0.00 10.43 -1.26 -2.23 116.55 123.62 3k6k n ASP 149 Ca 0.03 -1.80 0.08 0.00 2.57 0.00 0.00 54.79 55.66 3k6k n ASP 149 Cb 0.18 -0.15 0.11 0.00 1.84 0.00 0.00 41.12 43.09 3k6k n ASP 149 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3k6k n ARG 150 N 0.56 1.47 -5.12 -1.24 1.74 -1.19 -4.69 116.66 108.18 3k6k n ARG 150 Ca 0.16 -2.31 -0.32 0.00 -0.77 0.00 0.00 57.85 54.61 3k6k n ARG 150 Cb 0.37 -1.36 -0.16 0.00 -1.02 0.00 0.00 32.46 30.29 3k6k n ARG 150 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3k6k s ILE 151 N -2.42 2.31 0.03 0.55 1.01 -1.15 -0.24 121.20 121.30 3k6k s ILE 151 Ca 0.25 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.99 3k6k s ILE 151 Cb 0.22 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 3k6k s ILE 151 CO 0.02 0.55 -0.02 -0.63 0.00 0.00 0.00 174.94 174.87 3k6k s ILE 152 N 0.23 3.99 -0.17 2.92 -1.09 -0.49 -0.56 121.20 126.04 3k6k s ILE 152 Ca -0.14 -0.77 -0.01 0.00 -2.23 0.00 0.00 60.65 57.50 3k6k s ILE 152 Cb -0.17 -2.81 -0.01 0.00 -1.58 0.00 0.00 42.46 37.90 3k6k s ILE 152 CO 0.07 0.30 -0.11 -0.63 -1.23 0.00 0.00 174.94 173.34 3k6k s ILE 153 N -1.14 3.02 0.15 2.92 -1.09 -0.66 -0.66 121.20 123.75 3k6k s ILE 153 Ca 0.21 -0.64 0.03 0.00 -2.23 0.00 0.00 60.65 58.02 3k6k s ILE 153 Cb -0.11 -2.31 -0.05 0.00 -1.58 0.00 0.00 42.46 38.41 3k6k s ILE 153 CO 0.12 0.49 -0.06 0.00 -1.23 0.00 0.00 174.94 174.27 3k6k s ALA 154 N 0.85 1.38 0.00 9.38 0.00 -0.82 0.37 121.76 132.92 3k6k s ALA 154 Ca -0.03 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.41 3k6k s ALA 154 Cb -0.15 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.20 3k6k s ALA 154 CO 0.00 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 175.98 3k6k n GLY 155 N -0.20 2.58 3.50 0.00 0.00 -1.06 -0.79 105.19 109.21 3k6k n GLY 155 Ca -0.09 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 3k6k n GLY 155 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3k6k s ASP 156 N 0.00 3.82 0.72 1.61 -4.77 -1.13 -1.36 116.67 115.56 3k6k s ASP 156 Ca 0.00 -0.81 0.00 0.00 -3.30 0.00 0.00 52.55 48.44 3k6k s ASP 156 Cb 0.00 -0.46 0.00 0.00 -1.09 0.00 0.00 42.92 41.37 3k6k s ASP 156 CO 0.00 0.08 0.00 -0.24 0.70 0.00 0.00 175.17 175.71 3k6k n SER 157 N -0.17 0.00 0.19 2.11 2.88 -0.72 0.44 113.62 118.35 3k6k n SER 157 Ca -0.09 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.48 3k6k n SER 157 Cb 0.57 0.00 0.39 0.00 -0.75 0.00 0.00 64.21 64.43 3k6k n SER 157 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3k6k h ALA 158 N -0.36 1.33 -0.95 -1.46 0.00 -1.83 0.13 119.26 116.12 3k6k h ALA 158 Ca 0.00 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.65 3k6k h ALA 158 Cb 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3k6k h ALA 158 CO 0.00 0.43 0.61 0.78 0.00 0.00 0.00 179.25 181.08 3k6k h GLY 159 N 1.19 1.42 0.87 0.00 0.00 0.98 -1.13 103.07 106.40 3k6k h GLY 159 Ca -0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 3k6k h GLY 159 CO 0.05 0.35 0.01 -1.33 0.00 0.00 0.00 176.54 175.62 3k6k h GLY 160 N 1.14 0.53 -0.25 4.60 0.00 -0.47 -1.10 103.07 107.52 3k6k h GLY 160 Ca 0.40 -0.38 0.08 0.00 0.00 0.00 0.00 47.33 47.43 3k6k h GLY 160 CO -0.15 0.35 -0.34 -1.33 0.00 0.00 0.00 176.54 175.07 3k6k h GLY 161 N 0.28 -0.25 1.75 4.60 0.00 -1.05 -2.82 103.07 105.58 3k6k h GLY 161 Ca 0.08 0.44 -0.07 0.00 0.00 0.00 0.00 47.33 47.77 3k6k h GLY 161 CO 0.01 -0.20 -0.23 1.41 0.00 0.00 0.00 176.54 177.53 3k6k h LEU 162 N -0.24 0.29 -1.55 3.11 3.38 -1.16 -1.16 115.31 117.97 3k6k h LEU 162 Ca 0.18 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3k6k h LEU 162 Cb 0.55 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3k6k h LEU 162 CO -0.58 0.53 0.23 0.00 0.09 0.00 0.00 178.44 178.71 3k6k h THR 163 N 0.27 1.12 0.01 0.22 1.03 -0.95 0.28 112.91 114.89 3k6k h THR 163 Ca 0.04 -0.27 -0.00 0.00 -0.01 0.00 0.00 66.41 66.17 3k6k h THR 163 Cb 0.56 0.58 0.00 0.00 -1.07 0.00 0.00 68.15 68.22 3k6k h THR 163 CO 0.04 0.12 -0.00 0.74 -0.01 0.00 0.00 175.52 176.41 3k6k h THR 164 N 0.54 0.00 -0.57 0.00 2.02 -1.28 -3.34 112.91 110.28 3k6k h THR 164 Ca 0.14 -0.02 0.06 0.00 0.77 0.00 0.00 66.41 67.35 3k6k h THR 164 Cb -0.01 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.33 3k6k h THR 164 CO -0.03 0.00 -0.32 0.00 0.37 0.00 0.00 175.52 175.54 3k6k n ALA 165 N -2.02 -0.33 -0.24 6.16 0.00 -0.48 -0.48 120.51 123.11 3k6k n ALA 165 Ca -0.00 0.50 0.29 0.00 0.00 0.00 0.00 53.44 54.22 3k6k n ALA 165 Cb 0.00 -0.10 0.69 0.00 0.00 0.00 0.00 19.45 20.04 3k6k n ALA 165 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3k6k h SER 166 N 0.00 0.08 0.50 0.00 4.64 -0.62 -1.81 113.55 116.34 3k6k h SER 166 Ca 0.10 0.01 -0.29 0.00 -0.47 0.00 0.00 61.79 61.14 3k6k h SER 166 Cb 0.25 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 3k6k h SER 166 CO -0.54 0.02 -1.56 0.24 -0.87 0.00 0.00 176.83 174.13 3k6k h MET 167 N 0.08 0.15 -0.29 4.77 2.86 -0.90 0.82 114.93 122.42 3k6k h MET 167 Ca 0.48 -0.25 0.06 0.00 -2.06 0.00 0.00 59.70 57.93 3k6k h MET 167 Cb 1.79 0.09 -0.05 0.00 0.06 0.00 0.00 31.60 33.48 3k6k h MET 167 CO -0.05 0.93 -0.07 -0.07 1.06 0.00 0.00 176.91 178.71 3k6k h LEU 168 N 0.04 -0.27 -0.37 1.22 3.38 -0.67 0.78 115.31 119.42 3k6k h LEU 168 Ca -0.24 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3k6k h LEU 168 Cb 1.98 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.90 3k6k h LEU 168 CO 0.13 -0.10 0.08 0.50 0.09 0.00 0.00 178.44 179.14 3k6k h LYS 169 N -0.00 0.59 -0.85 1.13 3.11 -1.44 1.00 116.57 120.10 3k6k h LYS 169 Ca 0.14 -0.15 0.08 0.00 -2.81 0.00 0.00 60.65 57.91 3k6k h LYS 169 Cb 0.21 -0.08 -0.06 0.00 -1.00 0.00 0.00 32.23 31.31 3k6k h LYS 169 CO -0.30 0.64 0.56 0.00 -2.81 0.00 0.00 179.45 177.54 3k6k h ALA 170 N 0.93 1.61 0.15 5.00 0.00 -0.46 0.20 119.26 126.68 3k6k h ALA 170 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3k6k h ALA 170 Cb 0.32 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3k6k h ALA 170 CO 0.00 0.24 -0.07 -0.22 0.00 0.00 0.00 179.25 179.20 3k6k h LYS 171 N 0.90 -0.20 -0.92 0.00 3.64 0.15 -0.98 116.57 119.16 3k6k h LYS 171 Ca 0.38 0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.94 3k6k h LYS 171 Cb 0.29 0.04 -0.17 0.00 -0.41 0.00 0.00 32.23 31.99 3k6k h LYS 171 CO -0.15 0.23 -0.29 0.93 -2.27 0.00 0.00 179.45 177.91 3k6k h GLU 172 N -0.73 -0.01 0.00 1.90 5.08 -0.60 -0.31 114.58 119.90 3k6k h GLU 172 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3k6k h GLU 172 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3k6k h GLU 172 CO 0.03 -0.01 0.00 -0.25 -1.00 0.00 0.00 179.01 177.79 3k6k n ASP 173 N -5.55 0.00 0.00 1.42 8.00 0.04 -4.88 116.55 115.58 3k6k n ASP 173 Ca 0.12 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.49 3k6k n ASP 173 Cb 0.44 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 3k6k n ASP 173 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k6k n GLY 174 N 0.52 0.64 3.83 0.44 0.00 -0.13 -5.05 105.19 105.43 3k6k n GLY 174 Ca 0.11 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 3k6k n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k6k s LEU 175 N 0.00 4.36 1.17 0.99 1.43 -0.41 -5.04 118.68 121.19 3k6k s LEU 175 Ca 0.00 1.24 -0.14 0.00 -1.03 0.00 0.00 54.13 54.21 3k6k s LEU 175 Cb 0.00 -3.36 0.29 0.00 0.03 0.00 0.00 46.19 43.14 3k6k s LEU 175 CO 0.00 0.09 1.03 -2.16 0.23 0.00 0.00 176.35 175.54 3k6k s PRO 176 N -1.88 -1.00 0.01 1.29 0.04 -1.26 -4.50 135.00 127.70 3k6k s PRO 176 Ca 0.39 0.69 -0.01 0.00 0.04 0.00 0.00 61.00 62.11 3k6k s PRO 176 Cb -0.16 -1.56 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 3k6k s PRO 176 CO 0.20 -3.74 0.16 -1.64 0.04 0.00 0.00 177.00 172.02 3k6k s MET 177 N -4.58 3.31 0.96 4.56 -1.94 -1.26 -4.89 119.30 115.45 3k6k s MET 177 Ca 0.68 -0.41 -0.13 0.00 -1.71 0.00 0.00 55.69 54.12 3k6k s MET 177 Cb -0.23 -3.00 0.16 0.00 2.01 0.00 0.00 34.83 33.77 3k6k s MET 177 CO 0.63 0.65 1.14 -2.14 -0.01 0.00 0.00 175.02 175.29 3k6k s PRO 178 N -2.03 0.77 0.61 2.03 0.02 -1.26 -4.68 135.00 130.46 3k6k s PRO 178 Ca 0.28 0.27 0.37 0.00 0.02 0.00 0.00 61.00 61.93 3k6k s PRO 178 Cb -0.12 -1.80 1.97 0.00 0.02 0.00 0.00 34.50 34.57 3k6k s PRO 178 CO 0.19 -2.45 2.24 0.00 -0.33 0.00 0.00 177.00 176.66 3k6k h ALA 179 N -1.68 1.16 0.00 -1.55 0.00 -0.36 -3.46 119.26 113.38 3k6k h ALA 179 Ca -0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3k6k h ALA 179 Cb 1.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3k6k h ALA 179 CO 0.58 0.03 0.00 0.41 0.00 0.00 0.00 179.25 180.27 3k6k n GLY 180 N -0.89 0.64 3.17 0.00 0.00 -1.25 -4.55 105.19 102.32 3k6k n GLY 180 Ca -0.02 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 3k6k n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k6k s LEU 181 N 0.00 2.20 -0.14 0.99 1.43 0.32 -1.66 118.68 121.82 3k6k s LEU 181 Ca 0.00 -0.60 -0.06 0.00 -1.03 0.00 0.00 54.13 52.45 3k6k s LEU 181 Cb 0.00 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 3k6k s LEU 181 CO 0.00 0.04 0.07 -0.69 0.23 0.00 0.00 176.35 176.00 3k6k s VAL 182 N 1.03 4.85 -0.05 -1.59 1.01 0.16 -1.29 120.40 124.51 3k6k s VAL 182 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.94 3k6k s VAL 182 Cb -0.14 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.13 3k6k s VAL 182 CO -0.06 0.54 -0.02 -0.04 0.00 0.00 0.00 175.10 175.51 3k6k s MET 183 N -0.30 0.72 -0.36 2.72 -1.94 -0.33 -2.58 119.30 117.24 3k6k s MET 183 Ca 0.09 -0.02 -0.08 0.00 -1.71 0.00 0.00 55.69 53.97 3k6k s MET 183 Cb -0.12 -0.87 0.04 0.00 2.01 0.00 0.00 34.83 35.89 3k6k s MET 183 CO 0.02 -0.17 0.15 -0.51 -0.01 0.00 0.00 175.02 174.50 3k6k s LEU 184 N 1.32 4.51 -1.26 -0.03 1.02 -0.46 -1.23 118.68 122.55 3k6k s LEU 184 Ca -0.05 -1.10 -0.10 0.00 0.02 0.00 0.00 54.13 52.90 3k6k s LEU 184 Cb -0.13 -1.93 -0.00 0.00 0.02 0.00 0.00 46.19 44.14 3k6k s LEU 184 CO -0.02 -0.36 0.64 -1.20 0.02 0.00 0.00 176.35 175.43 3k6k n SER 185 N 4.89 -2.84 -4.77 2.29 7.64 0.30 -1.76 113.62 119.36 3k6k n SER 185 Ca -0.12 -0.98 -0.41 0.00 1.01 0.00 0.00 58.87 58.37 3k6k n SER 185 Cb 0.45 -3.37 -0.01 0.00 -1.01 0.00 0.00 64.21 60.27 3k6k n SER 185 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3k6k s PRO 186 N -6.18 4.16 -0.49 1.43 0.04 -1.26 -2.76 135.00 129.94 3k6k s PRO 186 Ca 0.23 2.50 -0.17 0.00 0.04 0.00 0.00 61.00 63.60 3k6k s PRO 186 Cb -0.08 -2.99 0.07 0.00 0.04 0.00 0.00 34.50 31.54 3k6k s PRO 186 CO 0.86 -0.47 0.48 0.12 0.04 0.00 0.00 177.00 178.03 3k6k s PHE 187 N -1.01 3.18 0.00 0.56 5.99 0.37 -4.52 117.98 122.55 3k6k s PHE 187 Ca 0.53 -0.84 0.00 0.00 0.00 0.00 0.00 56.93 56.62 3k6k s PHE 187 Cb -0.45 -3.36 0.00 0.00 0.00 0.00 0.00 43.02 39.21 3k6k s PHE 187 CO 0.60 -0.90 0.37 1.33 -0.00 0.00 0.00 175.22 176.61 3k6k n VAL 188 N 5.34 0.13 -3.53 3.12 0.24 -1.26 -3.61 118.33 118.76 3k6k n VAL 188 Ca -0.11 -0.23 -0.29 0.00 -2.04 0.00 0.00 64.34 61.68 3k6k n VAL 188 Cb 0.44 1.33 -0.12 0.00 -1.47 0.00 0.00 33.84 34.02 3k6k n VAL 188 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3k6k s ASP 189 N -0.13 2.98 0.00 -1.34 3.68 -1.26 -2.88 116.67 117.72 3k6k s ASP 189 Ca 0.00 -2.49 0.11 0.00 2.13 0.00 0.00 52.55 52.30 3k6k s ASP 189 Cb 0.00 -0.62 0.64 0.00 -1.45 0.00 0.00 42.92 41.49 3k6k s ASP 189 CO 0.00 -0.27 1.06 0.18 0.13 0.00 0.00 175.17 176.27 3k6k n LEU 190 N 3.67 0.00 0.20 -1.34 4.32 -1.26 -1.60 117.00 120.99 3k6k n LEU 190 Ca 0.14 0.00 0.09 0.00 -0.02 0.00 0.00 56.01 56.22 3k6k n LEU 190 Cb 0.38 0.00 0.31 0.00 -1.62 0.00 0.00 43.42 42.48 3k6k n LEU 190 CO 0.16 0.00 0.73 0.71 -1.22 0.00 0.00 177.39 177.77 3k6k h THR 191 N 0.00 0.49 -6.18 -5.08 1.35 -1.94 -3.49 112.91 98.06 3k6k h THR 191 Ca 0.00 -1.35 -0.32 0.00 -0.55 0.00 0.00 66.41 64.19 3k6k h THR 191 Cb 0.00 1.97 0.02 0.00 -1.73 0.00 0.00 68.15 68.41 3k6k h THR 191 CO 0.00 0.24 -0.70 0.18 -0.25 0.00 0.00 175.52 174.99 3k6k n LEU 192 N -3.26 -3.68 0.00 3.87 4.77 -0.63 -4.90 117.00 113.16 3k6k n LEU 192 Ca 0.01 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 3k6k n LEU 192 Cb 0.52 -2.36 0.00 0.00 -2.33 0.00 0.00 43.42 39.25 3k6k n LEU 192 CO 0.35 -0.08 0.00 -1.54 -1.33 0.00 0.00 177.39 174.79 3k6k n SER 193 N -2.35 0.00 -4.34 -1.43 3.41 -1.26 -4.98 113.62 102.68 3k6k n SER 193 Ca -0.16 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.17 3k6k n SER 193 Cb 0.60 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.71 3k6k n SER 193 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3k6k s ARG 194 N 0.00 1.02 0.13 4.33 0.52 -1.26 -4.93 118.95 118.75 3k6k s ARG 194 Ca 0.00 -0.48 -0.19 0.00 -0.52 0.00 0.00 55.73 54.54 3k6k s ARG 194 Cb 0.00 -1.96 -0.04 0.00 0.52 0.00 0.00 34.95 33.47 3k6k s ARG 194 CO 0.00 -2.12 1.75 2.35 0.02 0.00 0.00 175.30 177.31 3k6k h TRP 195 N -1.35 0.15 0.00 -0.53 7.01 -1.94 -2.40 115.95 116.89 3k6k h TRP 195 Ca -0.43 0.01 -0.07 0.00 2.11 0.00 0.00 58.89 60.51 3k6k h TRP 195 Cb 1.25 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 28.27 3k6k h TRP 195 CO -0.78 0.08 -0.32 0.66 -2.79 0.00 0.00 178.44 175.29 3k6k h SER 196 N 0.18 0.00 -0.72 2.65 4.64 -1.89 -0.69 113.55 117.73 3k6k h SER 196 Ca 0.09 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.58 3k6k h SER 196 Cb 0.05 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.09 3k6k h SER 196 CO -0.08 0.32 0.50 0.78 -0.87 0.00 0.00 176.83 177.48 3k6k h ASN 197 N 0.00 0.21 0.00 4.97 2.35 -0.75 0.74 115.58 123.10 3k6k h ASN 197 Ca -0.00 0.01 -0.24 0.00 -0.55 0.00 0.00 56.30 55.52 3k6k h ASN 197 Cb 0.57 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.87 3k6k h ASN 197 CO 0.04 0.10 -1.90 -1.54 -1.65 0.00 0.00 177.43 172.49 3k6k n SER 198 N -4.42 2.66 -0.16 5.81 3.41 -1.06 -4.12 113.62 115.74 3k6k n SER 198 Ca 0.14 -0.06 -0.03 0.00 -0.26 0.00 0.00 58.87 58.65 3k6k n SER 198 Cb 0.64 -0.27 0.17 0.00 -0.26 0.00 0.00 64.21 64.49 3k6k n SER 198 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3k6k h ASN 199 N -0.04 0.84 -0.25 4.04 2.35 -1.01 -3.20 115.58 118.30 3k6k h ASN 199 Ca -0.36 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 3k6k h ASN 199 Cb 1.53 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.68 3k6k h ASN 199 CO -0.07 0.81 0.00 0.18 -1.65 0.00 0.00 177.43 176.70 3k6k n LEU 200 N -4.27 2.64 -0.13 1.61 4.77 0.24 -4.69 117.00 117.17 3k6k n LEU 200 Ca 0.05 -1.76 -0.06 0.00 -0.03 0.00 0.00 56.01 54.21 3k6k n LEU 200 Cb 0.22 -0.17 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 3k6k n LEU 200 CO 0.40 0.63 0.68 0.00 -1.33 0.00 0.00 177.39 177.78 3k6k h ALA 201 N 1.96 0.01 0.00 -1.18 0.00 -1.58 -0.62 119.26 117.86 3k6k h ALA 201 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3k6k h ALA 201 Cb 0.65 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3k6k h ALA 201 CO 0.00 -0.62 0.00 -0.25 0.00 0.00 0.00 179.25 178.38 3k6k n ASP 202 N -5.40 0.00 -0.22 0.00 8.00 -1.26 -2.00 116.55 115.66 3k6k n ASP 202 Ca 0.02 -0.24 0.10 0.00 0.71 0.00 0.00 54.79 55.39 3k6k n ASP 202 Cb 0.32 -0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.18 3k6k n ASP 202 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3k6k n ARG 203 N -1.17 0.53 -3.48 -1.24 1.74 -0.25 -4.89 116.66 107.92 3k6k n ARG 203 Ca 0.11 -0.44 -0.43 0.00 -0.77 0.00 0.00 57.85 56.32 3k6k n ARG 203 Cb 0.11 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 29.97 3k6k n ARG 203 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3k6k s ASP 204 N -2.77 5.98 -0.19 0.55 -1.08 -0.85 -4.77 116.67 113.55 3k6k s ASP 204 Ca 0.13 -1.22 0.16 0.00 -0.52 0.00 0.00 52.55 51.10 3k6k s ASP 204 Cb 0.17 -2.12 0.54 0.00 -1.46 0.00 0.00 42.92 40.05 3k6k s ASP 204 CO 0.74 -0.54 1.43 0.49 0.52 0.00 0.00 175.17 177.81 3k6k n PHE 205 N 5.11 0.98 0.00 -5.34 3.72 -1.26 -4.31 117.46 116.35 3k6k n PHE 205 Ca -0.12 -0.91 0.00 0.00 -0.05 0.00 0.00 57.45 56.38 3k6k n PHE 205 Cb 0.45 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 3k6k n PHE 205 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3k6k n LEU 206 N -0.52 0.56 0.13 4.37 4.77 -1.26 -4.69 117.00 120.37 3k6k n LEU 206 Ca 0.22 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.32 3k6k n LEU 206 Cb 0.91 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 42.50 3k6k n LEU 206 CO 0.16 -0.02 0.86 0.00 -1.33 0.00 0.00 177.39 177.06 3k6k n ALA 207 N -2.67 1.67 -3.30 -1.18 0.00 -1.26 -4.90 120.51 108.86 3k6k n ALA 207 Ca 0.00 0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.36 3k6k n ALA 207 Cb 0.35 -1.39 0.06 0.00 0.00 0.00 0.00 19.45 18.47 3k6k n ALA 207 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3k6k n GLU 208 N -2.26 -2.06 -0.29 0.00 2.13 -1.26 -4.66 120.64 112.23 3k6k n GLU 208 Ca 0.02 0.84 0.08 0.00 0.66 0.00 0.00 57.16 58.76 3k6k n GLU 208 Cb 0.23 -5.58 0.24 0.00 0.27 0.00 0.00 31.44 26.60 3k6k n GLU 208 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 3k6k h PRO 209 N -1.13 0.50 -0.27 5.31 0.11 -1.86 -1.53 132.00 133.12 3k6k h PRO 209 Ca -0.59 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.46 3k6k h PRO 209 Cb 1.30 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3k6k h PRO 209 CO 0.44 0.33 0.07 -0.44 -0.21 0.00 0.00 178.00 178.19 3k6k h ASP 210 N 0.52 0.35 0.17 -2.05 5.19 -1.94 -3.11 116.42 115.54 3k6k h ASP 210 Ca 0.48 -0.04 -0.36 0.00 -0.62 0.00 0.00 57.03 56.50 3k6k h ASP 210 Cb 0.76 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.14 3k6k h ASP 210 CO -0.42 0.36 -2.05 0.35 -3.12 0.00 0.00 179.24 174.35 3k6k n THR 211 N -4.39 1.67 -0.27 0.35 -2.24 -1.10 -4.45 114.28 103.86 3k6k n THR 211 Ca 0.01 -0.68 0.25 0.00 -2.27 0.00 0.00 64.05 61.36 3k6k n THR 211 Cb 0.16 -1.45 0.46 0.00 -2.10 0.00 0.00 70.33 67.39 3k6k n THR 211 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3k6k n LEU 212 N -3.31 0.24 0.00 3.22 4.77 -0.60 -0.21 117.00 121.11 3k6k n LEU 212 Ca -0.31 1.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.86 3k6k n LEU 212 Cb 1.05 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3k6k n LEU 212 CO 0.40 -1.33 0.45 0.61 -1.33 0.00 0.00 177.39 176.20 3k6k n GLY 213 N -1.24 -3.10 0.11 -0.72 0.00 -1.25 -1.96 105.19 97.03 3k6k n GLY 213 Ca 0.29 0.49 -0.02 0.00 0.00 0.00 0.00 46.02 46.78 3k6k n GLY 213 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3k6k h GLU 214 N 0.00 0.00 -0.10 1.61 -0.00 -0.89 -3.17 114.58 112.03 3k6k h GLU 214 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 59.36 59.38 3k6k h GLU 214 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 28.70 3k6k h GLU 214 CO 0.00 0.73 -0.40 0.52 -0.00 0.00 0.00 179.01 179.87 3k6k h MET 215 N 0.00 -0.41 0.00 1.06 2.86 -1.08 -2.58 114.93 114.78 3k6k h MET 215 Ca -0.01 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3k6k h MET 215 Cb 1.41 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 33.16 3k6k h MET 215 CO 0.10 -0.27 -0.05 0.66 1.06 0.00 0.00 176.91 178.40 3k6k h SER 216 N -0.42 0.00 -1.00 1.22 4.64 -1.42 -1.45 113.55 115.10 3k6k h SER 216 Ca 0.02 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.56 3k6k h SER 216 Cb 0.50 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.48 3k6k h SER 216 CO -0.32 0.05 0.62 -0.08 -0.87 0.00 0.00 176.83 176.23 3k6k h GLU 217 N 0.00 0.59 -0.62 4.77 4.57 -1.43 0.16 114.58 122.63 3k6k h GLU 217 Ca -0.00 -0.04 0.15 0.00 -1.18 0.00 0.00 59.36 58.29 3k6k h GLU 217 Cb 0.30 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 3k6k h GLU 217 CO 0.01 0.39 0.43 -0.07 -1.18 0.00 0.00 179.01 178.59 3k6k h LEU 218 N 0.61 0.18 0.08 1.64 3.38 -1.32 0.14 115.31 120.02 3k6k h LEU 218 Ca 0.59 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.45 3k6k h LEU 218 Cb 1.13 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.86 3k6k h LEU 218 CO -0.36 0.10 -0.52 0.22 0.09 0.00 0.00 178.44 177.96 3k6k h TYR 219 N 0.20 0.30 0.00 1.13 -0.00 -0.89 -3.42 116.97 114.30 3k6k h TYR 219 Ca 0.30 -0.22 -0.00 0.00 -0.00 0.00 0.00 58.73 58.80 3k6k h TYR 219 Cb 0.90 -0.01 0.00 0.00 -0.00 0.00 0.00 36.73 37.62 3k6k h TYR 219 CO -0.00 1.20 -0.00 0.28 -0.00 0.00 0.00 178.16 179.64 3k6k h VAL 220 N -0.64 0.00 -6.27 1.81 2.07 -0.68 0.14 116.25 112.68 3k6k h VAL 220 Ca -0.10 -0.00 -0.38 0.00 0.82 0.00 0.00 66.70 67.05 3k6k h VAL 220 Cb 1.38 0.00 0.04 0.00 -1.52 0.00 0.00 31.29 31.18 3k6k h VAL 220 CO 0.08 0.00 -0.80 0.61 0.02 0.00 0.00 177.57 177.47 3k6k n GLY 221 N 0.36 -1.13 0.00 2.17 0.00 0.43 -2.83 105.19 104.19 3k6k n GLY 221 Ca -0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 3k6k n GLY 221 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k6k n GLY 222 N -1.72 3.18 3.31 -0.02 0.00 -1.26 -5.07 105.19 103.61 3k6k n GLY 222 Ca -0.14 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 3k6k n GLY 222 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k6k n GLU 223 N 0.00 -1.27 -3.31 1.61 -0.58 -1.13 -5.00 120.64 110.97 3k6k n GLU 223 Ca 0.00 -0.35 -0.38 0.00 -0.42 0.00 0.00 57.16 56.01 3k6k n GLU 223 Cb 0.00 -1.75 -0.06 0.00 -0.57 0.00 0.00 31.44 29.07 3k6k n GLU 223 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3k6k s ASP 224 N -1.89 6.98 0.12 1.62 2.15 -1.26 -4.95 116.67 119.44 3k6k s ASP 224 Ca 0.56 1.16 0.20 0.00 0.43 0.00 0.00 52.55 54.90 3k6k s ASP 224 Cb -0.14 -2.34 0.82 0.00 -0.30 0.00 0.00 42.92 40.96 3k6k s ASP 224 CO 0.66 0.24 1.61 0.54 -0.17 0.00 0.00 175.17 178.05 3k6k n ARG 225 N 2.02 0.10 -0.27 4.34 1.74 -1.26 -1.94 116.66 121.38 3k6k n ARG 225 Ca -0.10 0.31 0.07 0.00 -0.77 0.00 0.00 57.85 57.36 3k6k n ARG 225 Cb 0.51 -1.68 0.19 0.00 -1.02 0.00 0.00 32.46 30.46 3k6k n ARG 225 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3k6k n LYS 226 N -1.86 2.87 -1.64 5.56 5.02 -1.26 -4.20 118.16 122.65 3k6k n LYS 226 Ca 0.03 -2.34 -0.54 0.00 -2.02 0.00 0.00 58.31 53.43 3k6k n LYS 226 Cb 0.22 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.68 3k6k n LYS 226 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3k6k n ASN 227 N 0.04 1.98 -0.25 4.39 4.05 -0.82 -4.79 115.26 119.86 3k6k n ASN 227 Ca 0.15 1.10 0.18 0.00 0.45 0.00 0.00 54.58 56.45 3k6k n ASN 227 Cb 0.60 -1.17 0.48 0.00 1.23 0.00 0.00 39.78 40.92 3k6k n ASN 227 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 3k6k h PRO 228 N 5.76 0.46 -0.00 1.20 0.11 -1.85 0.68 132.00 138.36 3k6k h PRO 228 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3k6k h PRO 228 Cb 1.33 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3k6k h PRO 228 CO 0.86 0.30 -0.08 1.28 -0.21 0.00 0.00 178.00 180.15 3k6k n LEU 229 N -4.54 0.09 -0.10 2.35 4.32 -1.26 -2.52 117.00 115.34 3k6k n LEU 229 Ca 0.19 0.39 -0.14 0.00 -0.02 0.00 0.00 56.01 56.43 3k6k n LEU 229 Cb 0.65 -0.44 -0.05 0.00 -1.62 0.00 0.00 43.42 41.96 3k6k n LEU 229 CO 0.30 0.02 -0.76 -0.38 -1.22 0.00 0.00 177.39 175.35 3k6k n ILE 230 N -1.47 1.49 -3.70 -0.08 5.41 -0.30 -4.81 119.36 115.90 3k6k n ILE 230 Ca 0.07 0.02 -0.34 0.00 1.00 0.00 0.00 62.75 63.50 3k6k n ILE 230 Cb 0.33 -2.21 -0.08 0.00 -0.71 0.00 0.00 39.64 36.97 3k6k n ILE 230 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3k6k s SER 231 N -6.35 5.72 0.62 4.38 0.01 0.08 -4.73 113.70 113.43 3k6k s SER 231 Ca -0.28 -3.75 0.34 0.00 1.31 0.00 0.00 55.95 53.57 3k6k s SER 231 Cb 0.06 -1.84 1.84 0.00 0.21 0.00 0.00 66.02 66.29 3k6k s SER 231 CO 0.41 -0.16 2.03 -0.65 0.41 0.00 0.00 173.24 175.28 3k6k h PRO 232 N 5.87 0.00 -1.10 12.44 0.11 -1.35 0.40 132.00 148.38 3k6k h PRO 232 Ca 0.15 0.00 0.31 0.00 0.11 0.00 0.00 66.00 66.57 3k6k h PRO 232 Cb 0.80 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.85 3k6k h PRO 232 CO 0.82 0.00 0.76 0.28 -0.21 0.00 0.00 178.00 179.65 3k6k h VAL 233 N 0.00 0.47 -0.29 3.15 2.07 -1.82 0.10 116.25 119.93 3k6k h VAL 233 Ca 0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3k6k h VAL 233 Cb 0.37 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3k6k h VAL 233 CO 0.00 0.03 0.00 -1.22 0.02 0.00 0.00 177.57 176.40 3k6k n TYR 234 N -4.36 0.38 -1.74 1.57 4.01 0.14 -4.98 117.16 112.18 3k6k n TYR 234 Ca 0.25 -0.19 -0.29 0.00 -0.16 0.00 0.00 57.90 57.51 3k6k n TYR 234 Cb 1.08 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 40.23 3k6k n TYR 234 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k6k s ALA 235 N -1.62 2.21 -0.53 -0.72 0.00 0.36 -4.75 121.76 116.70 3k6k s ALA 235 Ca 0.33 -0.69 -0.22 0.00 0.00 0.00 0.00 51.96 51.38 3k6k s ALA 235 Cb 0.18 -2.96 0.05 0.00 0.00 0.00 0.00 23.12 20.39 3k6k s ALA 235 CO 0.26 -2.06 0.80 0.34 0.00 0.00 0.00 175.76 175.10 3k6k s ASP 236 N -4.40 6.29 0.00 0.00 2.15 -1.26 -4.91 116.67 114.53 3k6k s ASP 236 Ca 0.64 -0.60 0.21 0.00 0.43 0.00 0.00 52.55 53.23 3k6k s ASP 236 Cb -0.11 -2.37 0.54 0.00 -0.30 0.00 0.00 42.92 40.68 3k6k s ASP 236 CO 0.51 -1.08 1.45 0.18 -0.17 0.00 0.00 175.17 176.06 3k6k n LEU 237 N 6.89 2.71 -4.57 -1.34 4.77 -1.26 -4.95 117.00 119.25 3k6k n LEU 237 Ca -0.02 -1.21 -0.53 0.00 -0.03 0.00 0.00 56.01 54.21 3k6k n LEU 237 Cb 0.47 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 3k6k n LEU 237 CO 0.59 0.61 0.84 -1.20 -1.33 0.00 0.00 177.39 176.91 3k6k n SER 238 N 1.00 1.36 0.00 -1.43 7.64 -1.26 -3.10 113.62 117.83 3k6k n SER 238 Ca 0.18 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.18 3k6k n SER 238 Cb 0.47 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 3k6k n SER 238 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k6k n GLY 239 N 2.35 1.12 3.74 0.23 0.00 -1.26 -5.02 105.19 106.34 3k6k n GLY 239 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3k6k n GLY 239 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k6k s LEU 240 N 0.00 3.74 0.84 0.99 1.43 -1.18 -5.01 118.68 119.49 3k6k s LEU 240 Ca 0.00 2.67 -0.12 0.00 -1.03 0.00 0.00 54.13 55.65 3k6k s LEU 240 Cb 0.00 -4.43 0.10 0.00 0.03 0.00 0.00 46.19 41.89 3k6k s LEU 240 CO 0.00 -1.71 1.13 -2.16 0.23 0.00 0.00 176.35 173.84 3k6k s PRO 241 N -3.11 1.71 0.35 1.29 0.04 -1.26 -4.73 135.00 129.30 3k6k s PRO 241 Ca 0.76 0.38 -0.28 0.00 0.04 0.00 0.00 61.00 61.90 3k6k s PRO 241 Cb -0.38 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.14 3k6k s PRO 241 CO 0.43 -1.82 1.37 -0.85 0.04 0.00 0.00 177.00 176.17 3k6k n GLU 242 N -3.52 2.35 -4.85 4.56 0.28 -1.26 -4.56 120.64 113.64 3k6k n GLU 242 Ca 0.07 0.82 -0.33 0.00 -0.16 0.00 0.00 57.16 57.57 3k6k n GLU 242 Cb 0.58 -2.47 -0.14 0.00 1.43 0.00 0.00 31.44 30.85 3k6k n GLU 242 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 3k6k s MET 243 N -1.95 2.95 -0.19 3.44 -1.94 -0.43 -0.52 119.30 120.66 3k6k s MET 243 Ca 0.55 -0.70 -0.00 0.00 -1.71 0.00 0.00 55.69 53.83 3k6k s MET 243 Cb -0.53 -2.50 0.01 0.00 2.01 0.00 0.00 34.83 33.82 3k6k s MET 243 CO 0.63 0.41 -0.16 -1.17 -0.01 0.00 0.00 175.02 174.72 3k6k s LEU 244 N -0.17 2.35 -0.17 -0.03 2.96 -0.41 -1.28 118.68 121.93 3k6k s LEU 244 Ca -0.00 -0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 53.30 3k6k s LEU 244 Cb -0.13 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 3k6k s LEU 244 CO 0.03 -0.00 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.38 3k6k s ILE 245 N 1.31 3.63 0.14 6.68 1.01 -0.03 -1.18 121.20 132.77 3k6k s ILE 245 Ca 0.05 -0.44 0.07 0.00 0.00 0.00 0.00 60.65 60.32 3k6k s ILE 245 Cb -0.13 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 3k6k s ILE 245 CO -0.10 0.48 -0.04 -1.00 0.00 0.00 0.00 174.94 174.28 3k6k s HIS 246 N 0.64 2.82 0.11 3.97 3.76 -0.36 -1.58 115.29 124.63 3k6k s HIS 246 Ca -0.03 -0.13 -0.25 0.00 -0.15 0.00 0.00 55.06 54.49 3k6k s HIS 246 Cb -0.15 -1.41 0.08 0.00 1.11 0.00 0.00 32.58 32.21 3k6k s HIS 246 CO 0.02 0.49 0.80 0.54 -0.85 0.00 0.00 174.74 175.74 3k6k s VAL 247 N -1.51 0.00 0.27 -0.90 0.11 -0.76 -0.54 120.40 117.07 3k6k s VAL 247 Ca 0.25 -0.25 0.06 0.00 -2.93 0.00 0.00 61.98 59.11 3k6k s VAL 247 Cb -0.10 -1.32 -0.03 0.00 -1.53 0.00 0.00 36.38 33.40 3k6k s VAL 247 CO 0.17 0.00 0.34 -0.83 -3.33 0.00 0.00 175.10 171.45 3k6k s GLY 248 N -2.70 1.41 0.24 6.54 0.00 -1.26 0.41 107.32 111.96 3k6k s GLY 248 Ca 0.06 -1.37 -0.06 0.00 0.00 0.00 0.00 44.72 43.35 3k6k s GLY 248 CO -0.06 -1.36 1.87 1.48 0.00 0.00 0.00 173.10 175.03 3k6k h SER 249 N 1.19 1.09 -0.80 1.64 4.64 -1.29 -3.36 113.55 116.66 3k6k h SER 249 Ca -0.49 -0.09 -0.60 0.00 -0.47 0.00 0.00 61.79 60.14 3k6k h SER 249 Cb 1.24 -0.28 -0.11 0.00 -0.31 0.00 0.00 62.40 62.95 3k6k h SER 249 CO 0.59 0.87 1.76 -0.62 -0.87 0.00 0.00 176.83 178.56 3k6k n GLU 250 N -4.34 3.54 -3.89 4.77 -0.58 -0.91 -4.87 120.64 114.37 3k6k n GLU 250 Ca 0.09 -2.65 -0.28 0.00 -0.42 0.00 0.00 57.16 53.91 3k6k n GLU 250 Cb 0.09 -2.45 -0.17 0.00 -0.57 0.00 0.00 31.44 28.35 3k6k n GLU 250 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3k6k s GLU 251 N -0.50 1.43 0.55 3.49 2.02 -1.26 -4.10 118.70 120.33 3k6k s GLU 251 Ca 0.60 -0.41 0.27 0.00 0.02 0.00 0.00 54.97 55.45 3k6k s GLU 251 Cb 0.26 -1.84 1.45 0.00 0.10 0.00 0.00 34.13 34.10 3k6k s GLU 251 CO -0.11 -0.38 1.96 0.00 0.02 0.00 0.00 175.26 176.75 3k6k h ALA 252 N 8.15 2.45 -0.51 5.21 0.00 -1.79 -2.05 119.26 130.71 3k6k h ALA 252 Ca -0.26 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3k6k h ALA 252 Cb 1.12 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3k6k h ALA 252 CO 0.40 -0.72 0.04 1.28 0.00 0.00 0.00 179.25 180.24 3k6k n LEU 253 N -4.18 5.27 -0.35 0.00 4.77 -1.26 -1.60 117.00 119.66 3k6k n LEU 253 Ca 0.10 -3.03 0.01 0.00 -0.03 0.00 0.00 56.01 53.06 3k6k n LEU 253 Cb 0.66 -0.66 0.16 0.00 -2.33 0.00 0.00 43.42 41.26 3k6k n LEU 253 CO 0.35 0.68 1.28 0.25 -1.33 0.00 0.00 177.39 178.62 3k6k h LEU 254 N 3.14 1.06 -0.25 2.23 5.85 -1.68 -1.96 115.31 123.69 3k6k h LEU 254 Ca 0.05 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3k6k h LEU 254 Cb 1.89 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.68 3k6k h LEU 254 CO 0.46 0.72 0.00 -1.20 -0.34 0.00 0.00 178.44 178.08 3k6k n SER 255 N -4.44 0.40 -0.07 1.25 7.64 -1.26 -2.15 113.62 114.98 3k6k n SER 255 Ca 0.13 0.57 -0.11 0.00 1.01 0.00 0.00 58.87 60.47 3k6k n SER 255 Cb 0.10 -0.67 -0.05 0.00 -1.01 0.00 0.00 64.21 62.58 3k6k n SER 255 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3k6k h ASP 256 N 0.00 0.37 0.26 6.43 3.45 -1.66 0.11 116.42 125.37 3k6k h ASP 256 Ca 0.00 -0.28 -0.01 0.00 0.43 0.00 0.00 57.03 57.17 3k6k h ASP 256 Cb 0.43 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.10 3k6k h ASP 256 CO 0.00 0.55 -0.12 0.28 -1.57 0.00 0.00 179.24 178.38 3k6k h SER 257 N 0.17 -0.29 -0.42 6.45 0.02 -1.46 0.41 113.55 118.43 3k6k h SER 257 Ca 0.07 -0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 3k6k h SER 257 Cb 0.35 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 3k6k h SER 257 CO 0.01 -0.09 -0.06 0.71 -1.14 0.00 0.00 176.83 176.26 3k6k h THR 258 N -0.48 1.26 -0.15 -2.27 1.35 -1.49 -1.84 112.91 109.30 3k6k h THR 258 Ca -0.04 -1.12 -0.10 0.00 -0.55 0.00 0.00 66.41 64.60 3k6k h THR 258 Cb 0.36 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 3k6k h THR 258 CO 0.06 0.39 -0.30 0.74 -0.25 0.00 0.00 175.52 176.16 3k6k h THR 259 N 0.78 1.36 -0.76 6.82 2.02 -0.75 0.10 112.91 122.48 3k6k h THR 259 Ca 0.14 -1.57 0.11 0.00 0.77 0.00 0.00 66.41 65.86 3k6k h THR 259 Cb 0.55 2.00 -0.05 0.00 -1.74 0.00 0.00 68.15 68.91 3k6k h THR 259 CO 0.03 0.47 0.50 0.25 0.37 0.00 0.00 175.52 177.14 3k6k h LEU 260 N 0.08 0.57 -0.15 2.58 6.46 -0.93 -1.37 115.31 122.55 3k6k h LEU 260 Ca 0.00 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.75 3k6k h LEU 260 Cb 0.90 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.73 3k6k h LEU 260 CO 0.07 0.33 -0.03 0.00 -0.62 0.00 0.00 178.44 178.19 3k6k h ALA 261 N 1.62 0.21 -0.41 1.25 0.00 -0.96 0.34 119.26 121.31 3k6k h ALA 261 Ca 0.35 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.12 3k6k h ALA 261 Cb 0.53 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 3k6k h ALA 261 CO -0.13 -0.05 -0.39 1.49 0.00 0.00 0.00 179.25 180.17 3k6k h GLU 262 N -0.01 -0.29 0.19 0.00 4.81 -0.21 -0.29 114.58 118.78 3k6k h GLU 262 Ca 0.04 0.02 -0.31 0.00 -0.13 0.00 0.00 59.36 58.98 3k6k h GLU 262 Cb 0.44 0.07 0.02 0.00 0.63 0.00 0.00 28.75 29.90 3k6k h GLU 262 CO 0.01 -0.19 -1.43 0.00 -0.73 0.00 0.00 179.01 176.67 3k6k h ARG 263 N -0.30 0.39 -0.65 1.92 2.47 -1.23 -1.61 114.38 115.37 3k6k h ARG 263 Ca 0.15 -0.67 -0.08 0.00 -1.26 0.00 0.00 59.98 58.12 3k6k h ARG 263 Cb 0.57 0.25 -0.03 0.00 -1.65 0.00 0.00 29.97 29.11 3k6k h ARG 263 CO -0.56 1.31 0.09 0.00 0.56 0.00 0.00 179.97 181.37 3k6k h ALA 264 N 0.35 0.92 -0.56 0.04 0.00 -0.24 -1.52 119.26 118.26 3k6k h ALA 264 Ca -0.22 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 3k6k h ALA 264 Cb 2.07 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 3k6k h ALA 264 CO 0.23 0.66 -0.01 0.78 0.00 0.00 0.00 179.25 180.91 3k6k h GLY 265 N 1.04 1.05 2.00 0.00 0.00 -0.86 -1.01 103.07 105.30 3k6k h GLY 265 Ca 0.20 -0.76 -0.05 0.00 0.00 0.00 0.00 47.33 46.72 3k6k h GLY 265 CO 0.01 0.70 -0.22 0.00 0.00 0.00 0.00 176.54 177.03 3k6k h ALA 266 N 1.08 0.97 -0.01 3.60 0.00 -1.13 -0.05 119.26 123.72 3k6k h ALA 266 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3k6k h ALA 266 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3k6k h ALA 266 CO 0.03 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.55 3k6k n ALA 267 N -2.20 2.65 -1.25 0.00 0.00 -0.58 -4.92 120.51 114.20 3k6k n ALA 267 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3k6k n ALA 267 Cb 0.47 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3k6k n ALA 267 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k6k n GLY 268 N 1.00 0.58 3.84 0.00 0.00 -0.03 -4.38 105.19 106.19 3k6k n GLY 268 Ca 0.21 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 3k6k n GLY 268 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k6k s VAL 269 N -2.00 5.00 0.18 1.61 1.01 -0.45 -4.83 120.40 120.92 3k6k s VAL 269 Ca 0.00 0.86 -0.31 0.00 0.00 0.00 0.00 61.98 62.54 3k6k s VAL 269 Cb 0.00 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 3k6k s VAL 269 CO 0.00 0.55 1.40 -0.55 0.00 0.00 0.00 175.10 176.50 3k6k s SER 270 N -1.13 6.78 -0.04 3.32 0.15 -1.26 -4.17 113.70 117.35 3k6k s SER 270 Ca 0.25 2.47 -0.01 0.00 0.70 0.00 0.00 55.95 59.36 3k6k s SER 270 Cb -0.17 -2.60 0.03 0.00 -1.71 0.00 0.00 66.02 61.57 3k6k s SER 270 CO 0.14 -0.64 0.08 -0.69 1.20 0.00 0.00 173.24 173.33 3k6k s VAL 271 N 0.49 -0.05 -0.09 4.45 1.01 -1.26 -1.31 120.40 123.64 3k6k s VAL 271 Ca 0.61 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.81 3k6k s VAL 271 Cb -0.39 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 35.85 3k6k s VAL 271 CO 0.36 0.08 -0.14 -1.61 0.00 0.00 0.00 175.10 173.80 3k6k s GLU 272 N 1.09 1.97 -0.08 2.72 2.02 -0.40 -5.00 118.70 121.02 3k6k s GLU 272 Ca -0.09 -0.49 0.01 0.00 0.02 0.00 0.00 54.97 54.43 3k6k s GLU 272 Cb -0.12 -1.67 0.02 0.00 0.10 0.00 0.00 34.13 32.46 3k6k s GLU 272 CO -0.04 -0.02 -0.10 -1.17 0.02 0.00 0.00 175.26 173.94 3k6k s LEU 273 N 0.87 1.49 -0.07 1.80 1.98 -1.26 -0.85 118.68 122.64 3k6k s LEU 273 Ca -0.10 -0.29 0.04 0.00 -2.89 0.00 0.00 54.13 50.88 3k6k s LEU 273 Cb -0.15 -0.82 -0.02 0.00 0.66 0.00 0.00 46.19 45.86 3k6k s LEU 273 CO 0.01 -0.02 -0.17 -0.75 -1.89 0.00 0.00 176.35 173.53 3k6k s LYS 274 N 1.00 2.70 -0.13 1.98 2.20 -0.62 -5.00 119.74 121.88 3k6k s LYS 274 Ca -0.08 -0.76 -0.00 0.00 -0.36 0.00 0.00 55.97 54.76 3k6k s LYS 274 Cb -0.15 -2.37 -0.02 0.00 -1.51 0.00 0.00 37.83 33.79 3k6k s LYS 274 CO -0.00 0.46 -0.12 0.42 -0.36 0.00 0.00 175.35 175.75 3k6k s ILE 275 N -0.33 3.16 -0.29 5.43 1.01 -1.26 -1.83 121.20 127.10 3k6k s ILE 275 Ca 0.02 -0.62 -0.08 0.00 0.00 0.00 0.00 60.65 59.97 3k6k s ILE 275 Cb -0.13 -2.33 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 3k6k s ILE 275 CO 0.02 0.52 0.10 0.26 0.00 0.00 0.00 174.94 175.85 3k6k s TRP 276 N 0.31 3.14 0.15 3.97 0.52 0.17 -4.90 118.94 122.30 3k6k s TRP 276 Ca -0.09 -0.77 -0.34 0.00 0.02 0.00 0.00 56.10 54.91 3k6k s TRP 276 Cb -0.16 -2.28 -0.15 0.00 -1.15 0.00 0.00 33.47 29.73 3k6k s TRP 276 CO 0.05 -0.51 1.29 -2.30 0.02 0.00 0.00 176.95 175.51 3k6k n PRO 277 N 4.91 1.38 -1.28 4.98 -0.02 -1.26 -1.88 135.00 141.83 3k6k n PRO 277 Ca -0.15 0.49 -0.10 0.00 -2.02 0.00 0.00 63.50 61.73 3k6k n PRO 277 Cb 0.49 -2.09 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 3k6k n PRO 277 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3k6k n ASP 278 N 2.33 -5.51 -4.83 2.55 8.00 -1.26 -4.86 116.55 112.97 3k6k n ASP 278 Ca 0.16 0.25 -0.37 0.00 0.71 0.00 0.00 54.79 55.54 3k6k n ASP 278 Cb 0.24 -4.04 -0.06 0.00 -0.02 0.00 0.00 41.12 37.24 3k6k n ASP 278 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3k6k s MET 279 N -2.82 3.77 0.55 -1.24 -1.94 -0.93 -4.77 119.30 111.91 3k6k s MET 279 Ca 0.00 0.05 -0.03 0.00 -1.71 0.00 0.00 55.69 54.01 3k6k s MET 279 Cb 0.00 -3.26 0.11 0.00 2.01 0.00 0.00 34.83 33.70 3k6k s MET 279 CO 0.00 0.63 0.75 -0.35 -0.01 0.00 0.00 175.02 176.04 3k6k n PRO 280 N 2.31 -0.12 -1.61 2.03 -0.04 -1.26 -2.13 135.00 134.18 3k6k n PRO 280 Ca -0.17 -1.79 -0.47 0.00 -0.04 0.00 0.00 63.50 61.03 3k6k n PRO 280 Cb 0.53 -0.57 -0.04 0.00 -0.04 0.00 0.00 33.50 33.38 3k6k n PRO 280 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 3k6k n HIS 281 N -2.61 1.62 -4.17 0.54 -0.00 -1.26 -2.40 115.22 106.94 3k6k n HIS 281 Ca 0.11 0.58 -0.39 0.00 -0.00 0.00 0.00 57.72 58.03 3k6k n HIS 281 Cb 0.41 -2.35 -0.03 0.00 -0.00 0.00 0.00 29.99 28.02 3k6k n HIS 281 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3k6k n VAL 282 N 1.73 -1.83 0.28 3.57 0.31 -1.26 -4.81 118.33 116.31 3k6k n VAL 282 Ca 0.14 -0.54 0.16 0.00 -0.01 0.00 0.00 64.34 64.10 3k6k n VAL 282 Cb 0.27 -1.62 0.81 0.00 -0.91 0.00 0.00 33.84 32.38 3k6k n VAL 282 CO 0.00 0.00 0.00 2.19 -1.32 0.00 0.00 176.83 177.70 3k6k h PHE 283 N -2.17 0.00 0.00 3.52 -5.15 -1.85 -2.05 116.94 109.24 3k6k h PHE 283 Ca -0.67 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.10 3k6k h PHE 283 Cb 1.37 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.54 3k6k h PHE 283 CO 0.43 0.00 0.00 1.04 -2.00 0.00 0.00 178.31 177.78 3k6k n GLN 284 N -2.67 0.06 0.26 6.09 3.00 -1.26 -0.76 117.38 122.10 3k6k n GLN 284 Ca -0.01 0.48 0.17 0.00 -0.01 0.00 0.00 57.00 57.63 3k6k n GLN 284 Cb 0.12 -1.67 0.73 0.00 0.00 0.00 0.00 30.24 29.42 3k6k n GLN 284 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 3k6k h MET 285 N 0.00 0.00 -0.29 -1.09 2.86 -1.73 -3.38 114.93 111.31 3k6k h MET 285 Ca 0.00 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 3k6k h MET 285 Cb 0.10 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.68 3k6k h MET 285 CO 0.00 0.00 -0.11 0.66 1.06 0.00 0.00 176.91 178.52 3k6k n TYR 286 N -2.93 0.90 -0.33 -0.22 4.02 0.06 -4.64 117.16 114.03 3k6k n TYR 286 Ca 0.00 -1.49 0.24 0.00 -0.01 0.00 0.00 57.90 56.64 3k6k n TYR 286 Cb 0.25 -0.43 0.47 0.00 -0.02 0.00 0.00 39.34 39.61 3k6k n TYR 286 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3k6k h GLY 287 N 1.04 2.01 0.16 2.72 0.00 -1.74 0.54 103.07 107.80 3k6k h GLY 287 Ca 0.16 -0.20 0.21 0.00 0.00 0.00 0.00 47.33 47.50 3k6k h GLY 287 CO 0.31 -0.52 0.62 1.70 0.00 0.00 0.00 176.54 178.65 3k6k h LYS 288 N 0.27 0.53 0.00 4.80 3.64 -1.95 -3.31 116.57 120.55 3k6k h LYS 288 Ca 0.73 -0.03 -0.36 0.00 -1.27 0.00 0.00 60.65 59.72 3k6k h LYS 288 Cb 1.68 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 33.32 3k6k h LYS 288 CO -0.64 0.35 -2.21 1.19 -2.27 0.00 0.00 179.45 175.88 3k6k n PHE 289 N -4.63 0.00 -4.75 1.91 3.01 0.16 -4.82 117.46 108.34 3k6k n PHE 289 Ca 0.22 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.36 3k6k n PHE 289 Cb 0.68 -0.78 -0.13 0.00 -0.01 0.00 0.00 39.48 39.24 3k6k n PHE 289 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 3k6k s VAL 290 N -2.40 2.95 0.21 -4.37 -7.23 0.46 -0.72 120.40 109.30 3k6k s VAL 290 Ca -0.30 -0.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.84 3k6k s VAL 290 Cb 0.11 -2.21 0.05 0.00 0.56 0.00 0.00 36.38 34.89 3k6k s VAL 290 CO 0.40 0.44 1.65 -1.13 -0.31 0.00 0.00 175.10 176.14 3k6k h ASN 291 N 4.85 0.85 -0.16 4.85 -0.00 -1.83 -3.18 115.58 120.96 3k6k h ASN 291 Ca -0.47 -0.28 0.05 0.00 -0.00 0.00 0.00 56.30 55.60 3k6k h ASN 291 Cb 1.15 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 39.24 3k6k h ASN 291 CO 0.49 1.00 0.24 0.00 -0.00 0.00 0.00 177.43 179.16 3k6k h ALA 292 N 1.07 1.66 -0.24 1.57 0.00 -1.95 -1.46 119.26 119.91 3k6k h ALA 292 Ca 0.12 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3k6k h ALA 292 Cb 0.67 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3k6k h ALA 292 CO 0.05 -0.32 -0.10 0.00 0.00 0.00 0.00 179.25 178.87 3k6k h ALA 293 N 1.67 0.34 -0.91 0.00 0.00 -1.80 -0.14 119.26 118.41 3k6k h ALA 293 Ca 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3k6k h ALA 293 Cb 0.56 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3k6k h ALA 293 CO -0.00 0.18 0.50 -0.44 0.00 0.00 0.00 179.25 179.48 3k6k h ASP 294 N 0.22 1.14 -0.41 0.00 3.45 -1.44 -2.33 116.42 117.03 3k6k h ASP 294 Ca 0.06 -0.10 -0.07 0.00 0.43 0.00 0.00 57.03 57.34 3k6k h ASP 294 Cb 0.60 -0.29 -0.01 0.00 -0.56 0.00 0.00 39.33 39.06 3k6k h ASP 294 CO 0.03 0.91 -0.02 0.40 -1.57 0.00 0.00 179.24 179.00 3k6k h ILE 295 N 1.27 1.26 -0.36 0.35 2.04 -1.44 -1.86 117.51 118.77 3k6k h ILE 295 Ca 0.32 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 3k6k h ILE 295 Cb 0.03 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3k6k h ILE 295 CO -0.05 0.36 0.14 -1.28 0.00 0.00 0.00 178.15 177.32 3k6k h SER 296 N 0.57 0.50 -0.83 1.72 0.87 -0.86 -1.08 113.55 114.43 3k6k h SER 296 Ca 0.11 -0.17 0.12 0.00 -1.23 0.00 0.00 61.79 60.62 3k6k h SER 296 Cb 0.50 -0.13 -0.08 0.00 -0.44 0.00 0.00 62.40 62.25 3k6k h SER 296 CO 0.02 0.53 0.45 0.40 -0.53 0.00 0.00 176.83 177.71 3k6k h ILE 297 N 0.43 0.82 -0.10 2.23 2.04 -1.39 0.43 117.51 121.98 3k6k h ILE 297 Ca 0.12 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3k6k h ILE 297 Cb 0.19 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3k6k h ILE 297 CO -0.01 0.13 0.04 0.50 0.00 0.00 0.00 178.15 178.81 3k6k h LYS 298 N 0.71 0.14 -0.65 2.37 1.63 -0.73 -1.27 116.57 118.79 3k6k h LYS 298 Ca 0.43 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 60.15 3k6k h LYS 298 Cb 0.50 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.08 3k6k h LYS 298 CO -0.30 0.26 0.19 0.93 -3.45 0.00 0.00 179.45 177.08 3k6k h GLU 299 N -0.00 1.01 -0.85 1.90 5.08 -0.85 -1.30 114.58 119.56 3k6k h GLU 299 Ca 0.03 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 58.19 3k6k h GLU 299 Cb 0.17 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 3k6k h GLU 299 CO -0.00 0.89 0.55 0.82 -1.00 0.00 0.00 179.01 180.27 3k6k h ILE 300 N 0.94 1.17 -0.28 3.13 2.04 -0.74 0.47 117.51 124.24 3k6k h ILE 300 Ca 0.21 -0.38 -0.12 0.00 1.00 0.00 0.00 64.86 65.57 3k6k h ILE 300 Cb 0.31 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3k6k h ILE 300 CO -0.00 0.20 -0.31 0.00 0.00 0.00 0.00 178.15 178.04 3k6k h HIS 302 N 0.43 0.37 -0.08 0.00 6.17 -0.80 0.40 115.15 121.65 3k6k h HIS 302 Ca 0.04 0.03 0.02 0.00 0.71 0.00 0.00 60.37 61.16 3k6k h HIS 302 Cb 0.88 -0.09 -0.01 0.00 2.52 0.00 0.00 27.41 30.71 3k6k h HIS 302 CO 0.07 0.13 -0.02 2.35 0.71 0.00 0.00 177.93 181.18 3k6k h TRP 303 N 0.40 -0.04 0.32 5.26 7.01 -0.52 -2.03 115.95 126.34 3k6k h TRP 303 Ca 0.25 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.24 3k6k h TRP 303 Cb 0.26 0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.35 3k6k h TRP 303 CO -0.15 -0.03 -0.15 0.82 -2.79 0.00 0.00 178.44 176.14 3k6k h ILE 304 N 0.00 0.70 0.00 2.65 2.04 0.34 -2.69 117.51 120.54 3k6k h ILE 304 Ca 0.04 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3k6k h ILE 304 Cb 0.06 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3k6k h ILE 304 CO -0.08 0.03 0.00 -1.54 0.00 0.00 0.00 178.15 176.56 3k6k n SER 305 N -5.25 0.00 -0.54 1.72 3.41 0.13 -1.52 113.62 111.58 3k6k n SER 305 Ca -0.10 -1.13 0.05 0.00 -0.26 0.00 0.00 58.87 57.43 3k6k n SER 305 Cb 0.21 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.27 3k6k n SER 305 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k6k n ALA 306 N -0.81 2.29 -0.06 7.33 0.00 -0.78 -4.39 120.51 124.08 3k6k n ALA 306 Ca 0.12 -0.93 -0.04 0.00 0.00 0.00 0.00 53.44 52.59 3k6k n ALA 306 Cb 0.06 -0.40 -0.13 0.00 0.00 0.00 0.00 19.45 18.98 3k6k n ALA 306 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k6k n ARG 307 N 0.52 1.13 -1.86 0.00 1.74 -0.57 -4.52 116.66 113.09 3k6k n ARG 307 Ca 0.09 -0.05 -0.36 0.00 -0.77 0.00 0.00 57.85 56.77 3k6k n ARG 307 Cb 0.36 -1.42 -0.05 0.00 -1.02 0.00 0.00 32.46 30.33 3k6k n ARG 307 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3k6k n ILE 308 N -2.49 2.29 0.00 0.55 2.08 -1.19 -5.02 119.36 115.58 3k6k n ILE 308 Ca -0.21 -2.26 0.00 0.00 0.56 0.00 0.00 62.75 60.84 3k6k n ILE 308 Cb 0.90 -2.27 0.00 0.00 -0.75 0.00 0.00 39.64 37.52 3k6k n ILE 308 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57