#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 4.42 0.12 5.18 2.01 -1.26 -5.08 115.64 121.03 3k6k s THR 14 Ca 0.00 1.70 0.06 0.00 0.31 0.00 0.00 61.69 63.76 3k6k s THR 14 Cb 0.00 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 3k6k s THR 14 CO 0.00 0.50 -0.13 -0.54 -0.69 0.00 0.00 174.62 173.76 3k6k s LYS 15 N -0.98 1.01 0.40 4.92 -0.14 -1.26 -4.81 119.74 118.88 3k6k s LYS 15 Ca 0.36 -1.25 -0.22 0.00 -1.36 0.00 0.00 55.97 53.50 3k6k s LYS 15 Cb -0.23 -0.85 -0.11 0.00 -1.68 0.00 0.00 37.83 34.97 3k6k s LYS 15 CO 0.26 0.16 0.95 -1.64 -0.76 0.00 0.00 175.35 174.32 3k6k s MET 16 N -2.77 4.32 -0.02 1.68 -1.94 0.19 -5.02 119.30 115.74 3k6k s MET 16 Ca 0.09 1.19 -0.30 0.00 -1.71 0.00 0.00 55.69 54.96 3k6k s MET 16 Cb -0.04 -2.36 -0.08 0.00 2.01 0.00 0.00 34.83 34.36 3k6k s MET 16 CO 0.03 0.05 2.03 -3.47 -0.01 0.00 0.00 175.02 173.65 3k6k n ASP 17 N -0.30 3.98 -0.22 3.03 -0.08 -1.26 -4.65 116.55 117.05 3k6k n ASP 17 Ca 0.06 0.75 0.06 0.00 -1.51 0.00 0.00 54.79 54.15 3k6k n ASP 17 Cb 0.53 -1.53 0.13 0.00 2.34 0.00 0.00 41.12 42.59 3k6k n ASP 17 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3k6k n PRO 18 N 7.82 -0.05 -0.20 -0.67 -0.01 -1.26 0.23 135.00 140.86 3k6k n PRO 18 Ca 0.22 0.96 -0.07 0.00 -0.01 0.00 0.00 63.50 64.60 3k6k n PRO 18 Cb 0.42 -1.48 0.07 0.00 -0.01 0.00 0.00 33.50 32.49 3k6k n PRO 18 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 3k6k h ARG 19 N 0.00 1.03 -0.36 -0.52 2.47 -1.91 -1.31 114.38 113.78 3k6k h ARG 19 Ca 0.34 -0.29 -0.07 0.00 -1.26 0.00 0.00 59.98 58.70 3k6k h ARG 19 Cb 0.62 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.80 3k6k h ARG 19 CO -0.62 0.98 -0.09 -0.44 0.56 0.00 0.00 179.97 180.35 3k6k h ASP 20 N 0.96 0.59 -0.42 7.04 3.45 -0.60 -2.26 116.42 125.17 3k6k h ASP 20 Ca 0.18 -0.15 -0.12 0.00 0.43 0.00 0.00 57.03 57.38 3k6k h ASP 20 Cb 0.47 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.07 3k6k h ASP 20 CO 0.02 0.72 -0.17 0.15 -1.57 0.00 0.00 179.24 178.39 3k6k h PHE 21 N 0.56 1.02 -0.99 4.55 3.04 -0.59 -1.42 116.94 123.11 3k6k h PHE 21 Ca 0.10 -0.22 0.09 0.00 3.98 0.00 0.00 57.97 61.92 3k6k h PHE 21 Cb 0.49 -0.25 -0.08 0.00 2.56 0.00 0.00 35.95 38.68 3k6k h PHE 21 CO 0.02 1.00 0.63 -0.07 -2.02 0.00 0.00 178.31 177.87 3k6k h LEU 22 N 0.80 0.97 -1.31 0.59 3.38 -0.99 -0.97 115.31 117.78 3k6k h LEU 22 Ca 0.12 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3k6k h LEU 22 Cb 0.71 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3k6k h LEU 22 CO 0.05 0.57 0.30 -0.61 0.09 0.00 0.00 178.44 178.85 3k6k h GLN 23 N 1.07 0.78 -0.36 1.13 5.75 -0.95 0.28 115.11 122.81 3k6k h GLN 23 Ca 0.46 -0.08 -0.07 0.00 -0.15 0.00 0.00 58.65 58.81 3k6k h GLN 23 Cb 0.32 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 3k6k h GLN 23 CO -0.22 0.58 -0.03 1.25 -2.65 0.00 0.00 178.83 177.75 3k6k h LEU 24 N 0.78 0.65 -0.50 -2.39 5.85 -0.19 -2.22 115.31 117.29 3k6k h LEU 24 Ca 0.20 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 3k6k h LEU 24 Cb 0.03 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3k6k h LEU 24 CO -0.03 0.83 0.06 -0.07 -0.34 0.00 0.00 178.44 178.89 3k6k h LEU 25 N 0.46 0.81 -0.54 2.25 3.38 -0.43 -0.40 115.31 120.83 3k6k h LEU 25 Ca 0.10 -0.27 0.10 0.00 0.09 0.00 0.00 57.88 57.89 3k6k h LEU 25 Cb 0.51 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 3k6k h LEU 25 CO 0.03 0.88 0.08 0.50 0.09 0.00 0.00 178.44 180.02 3k6k h LYS 26 N 0.71 0.21 -0.24 1.13 3.64 -0.49 0.66 116.57 122.18 3k6k h LYS 26 Ca 0.15 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3k6k h LYS 26 Cb 0.43 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 3k6k h LYS 26 CO 0.01 0.14 0.10 0.82 -2.27 0.00 0.00 179.45 178.25 3k6k h ILE 27 N 0.21 0.96 -0.25 2.00 2.04 -0.87 -0.87 117.51 120.73 3k6k h ILE 27 Ca 0.28 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 66.08 3k6k h ILE 27 Cb 0.40 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3k6k h ILE 27 CO -0.38 0.04 0.12 0.78 0.00 0.00 0.00 178.15 178.70 3k6k h ASN 28 N 0.22 0.17 -0.98 1.72 -0.26 -0.12 -1.81 115.58 114.52 3k6k h ASN 28 Ca 0.10 0.01 0.04 0.00 -0.56 0.00 0.00 56.30 55.90 3k6k h ASN 28 Cb 0.05 -0.02 -0.06 0.00 -1.06 0.00 0.00 38.32 37.24 3k6k h ASN 28 CO -0.09 0.13 0.64 0.00 -1.06 0.00 0.00 177.43 177.05 3k6k h ALA 29 N 1.13 1.30 -0.74 -0.83 0.00 -0.82 -1.51 119.26 117.80 3k6k h ALA 29 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3k6k h ALA 29 Cb 0.04 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 3k6k h ALA 29 CO -0.08 0.51 0.47 0.93 0.00 0.00 0.00 179.25 181.09 3k6k h GLU 30 N 1.22 0.98 0.00 0.00 5.08 -0.36 -3.12 114.58 118.38 3k6k h GLU 30 Ca 0.39 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3k6k h GLU 30 Cb 0.02 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.06 3k6k h GLU 30 CO -0.13 0.66 -1.20 1.63 -1.00 0.00 0.00 179.01 178.97 3k6k n LYS 31 N -4.41 0.36 -1.16 2.33 4.76 -0.79 -4.94 118.16 114.30 3k6k n LYS 31 Ca 0.08 -0.03 -0.46 0.00 -2.87 0.00 0.00 58.31 55.04 3k6k n LYS 31 Cb 0.04 -1.59 -0.06 0.00 -1.84 0.00 0.00 35.03 31.58 3k6k n LYS 31 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3k6k n ALA 32 N -1.91 -2.87 -1.93 7.82 0.00 -0.60 -4.90 120.51 116.12 3k6k n ALA 32 Ca 0.01 0.46 -0.42 0.00 0.00 0.00 0.00 53.44 53.48 3k6k n ALA 32 Cb 0.46 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 3k6k n ALA 32 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3k6k s GLU 33 N 0.07 4.18 0.15 0.00 8.01 -1.26 -4.93 118.70 124.91 3k6k s GLU 33 Ca 0.70 2.29 -0.16 0.00 0.01 0.00 0.00 54.97 57.81 3k6k s GLU 33 Cb -0.98 -3.98 0.01 0.00 -4.31 0.00 0.00 34.13 24.88 3k6k s GLU 33 CO 0.44 -0.85 1.79 0.87 0.01 0.00 0.00 175.26 177.52 3k6k h LYS 34 N 9.61 0.56 -2.28 1.61 1.57 -1.98 -3.27 116.57 122.38 3k6k h LYS 34 Ca -0.42 -0.05 -0.61 0.00 -1.87 0.00 0.00 60.65 57.70 3k6k h LYS 34 Cb 1.19 -0.12 -0.40 0.00 0.08 0.00 0.00 32.23 32.98 3k6k h LYS 34 CO 0.95 0.40 -0.46 0.09 -0.57 0.00 0.00 179.45 179.86 3k6k n ASN 35 N -4.77 4.62 -4.69 0.86 3.02 -1.26 -5.03 115.26 108.02 3k6k n ASN 35 Ca 0.01 -3.63 -0.42 0.00 -0.03 0.00 0.00 54.58 50.50 3k6k n ASN 35 Cb 0.05 -0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 38.54 3k6k n ASN 35 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3k6k s LEU 36 N -3.32 4.30 0.13 3.41 0.20 -1.24 -4.92 118.68 117.24 3k6k s LEU 36 Ca 0.46 2.00 -0.35 0.00 0.69 0.00 0.00 54.13 56.93 3k6k s LEU 36 Cb 0.24 -3.56 -0.15 0.00 -0.43 0.00 0.00 46.19 42.29 3k6k s LEU 36 CO -0.11 -0.68 1.44 -2.65 -0.29 0.00 0.00 176.35 174.06 3k6k n PRO 37 N 5.40 1.65 -0.35 0.98 -0.02 -1.26 -4.73 135.00 136.67 3k6k n PRO 37 Ca 0.12 0.59 0.08 0.00 -2.02 0.00 0.00 63.50 62.28 3k6k n PRO 37 Cb 0.44 -2.28 0.26 0.00 -0.02 0.00 0.00 33.50 31.90 3k6k n PRO 37 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3k6k h LEU 38 N 5.06 0.86 -1.85 2.45 5.85 -1.98 0.37 115.31 126.07 3k6k h LEU 38 Ca -0.46 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 3k6k h LEU 38 Cb 1.30 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 3k6k h LEU 38 CO 0.82 0.42 -0.13 -2.24 -0.34 0.00 0.00 178.44 176.97 3k6k h ASP 39 N 0.91 0.00 0.27 1.25 -0.00 -1.97 -1.05 116.42 115.84 3k6k h ASP 39 Ca 0.51 0.00 -0.34 0.00 -0.00 0.00 0.00 57.03 57.21 3k6k h ASP 39 Cb 0.60 0.00 0.03 0.00 -0.00 0.00 0.00 39.33 39.96 3k6k h ASP 39 CO -0.30 0.13 -1.51 1.56 -0.00 0.00 0.00 179.24 179.12 3k6k h GLN 40 N 0.00 0.52 -0.86 4.15 4.20 -0.69 -2.98 115.11 119.46 3k6k h GLN 40 Ca -0.00 -0.88 0.08 0.00 0.06 0.00 0.00 58.65 57.91 3k6k h GLN 40 Cb 0.26 0.33 -0.06 0.00 0.30 0.00 0.00 27.48 28.31 3k6k h GLN 40 CO 0.02 1.42 0.56 -0.22 -0.67 0.00 0.00 178.83 179.94 3k6k h LYS 41 N 0.14 0.87 -0.08 1.46 1.63 -0.95 0.40 116.57 120.04 3k6k h LYS 41 Ca -0.26 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.43 3k6k h LYS 41 Cb 2.16 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 33.59 3k6k h LYS 41 CO 0.26 0.58 -0.17 0.00 -3.45 0.00 0.00 179.45 176.68 3k6k h ARG 42 N 0.90 0.26 -0.60 1.90 3.08 -1.22 -2.86 114.38 115.83 3k6k h ARG 42 Ca 0.38 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.29 3k6k h ARG 42 Cb 0.31 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 3k6k h ARG 42 CO -0.15 0.76 0.38 0.00 -1.07 0.00 0.00 179.97 179.88 3k6k h ALA 43 N 0.50 0.78 -0.61 0.04 0.00 -1.35 -1.56 119.26 117.04 3k6k h ALA 43 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.01 3k6k h ALA 43 Cb 0.75 -0.20 -0.12 0.00 0.00 0.00 0.00 17.79 18.22 3k6k h ALA 43 CO 0.04 0.13 -0.18 0.78 0.00 0.00 0.00 179.25 180.01 3k6k h GLY 44 N 0.75 0.37 0.95 0.00 0.00 -0.98 -0.30 103.07 103.86 3k6k h GLY 44 Ca 0.24 0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.80 3k6k h GLY 44 CO -0.09 -0.24 0.06 -0.33 0.00 0.00 0.00 176.54 175.95 3k6k h MET 45 N -0.03 0.15 -0.64 4.80 2.07 -1.26 -1.75 114.93 118.28 3k6k h MET 45 Ca 0.29 -0.02 0.11 0.00 -2.07 0.00 0.00 59.70 58.02 3k6k h MET 45 Cb 0.47 -0.03 -0.04 0.00 -1.87 0.00 0.00 31.60 30.13 3k6k h MET 45 CO -0.64 0.16 0.43 0.93 1.07 0.00 0.00 176.91 178.86 3k6k h GLU 46 N 0.10 0.38 0.11 1.72 4.39 -0.70 -1.16 114.58 119.42 3k6k h GLU 46 Ca 0.04 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.57 3k6k h GLU 46 Cb 0.05 -0.09 0.02 0.00 -0.10 0.00 0.00 28.75 28.63 3k6k h GLU 46 CO -0.01 0.25 -0.62 0.00 -1.16 0.00 0.00 179.01 177.48 3k6k h ALA 47 N 1.68 -0.07 0.21 3.43 0.00 -0.62 -2.80 119.26 121.10 3k6k h ALA 47 Ca 0.30 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3k6k h ALA 47 Cb 0.65 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3k6k h ALA 47 CO -0.08 0.29 -0.10 1.25 0.00 0.00 0.00 179.25 180.61 3k6k h LEU 48 N -0.51 -0.23 -2.12 0.00 6.46 -1.20 -3.28 115.31 114.43 3k6k h LEU 48 Ca -0.11 -0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.51 3k6k h LEU 48 Cb 1.48 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 41.47 3k6k h LEU 48 CO 0.12 0.00 -0.01 0.00 -0.62 0.00 0.00 178.44 177.93 3k6k h GLU 50 N 0.00 0.00 -0.01 0.00 5.08 -1.55 -3.12 114.58 114.98 3k6k h GLU 50 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3k6k h GLU 50 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3k6k h GLU 50 CO 0.00 0.18 -0.24 2.89 -1.00 0.00 0.00 179.01 180.84 3k6k n ARG 51 N -4.25 0.79 -2.37 2.33 1.85 0.33 -4.81 116.66 110.54 3k6k n ARG 51 Ca -0.02 -0.44 -0.39 0.00 -1.00 0.00 0.00 57.85 55.99 3k6k n ARG 51 Cb 0.24 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.13 3k6k n ARG 51 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3k6k s PHE 52 N -2.51 3.31 -0.14 2.89 0.08 -1.18 -5.01 117.98 115.42 3k6k s PHE 52 Ca 0.25 1.61 -0.29 0.00 0.12 0.00 0.00 56.93 58.61 3k6k s PHE 52 Cb 0.19 -3.36 -0.01 0.00 -0.57 0.00 0.00 43.02 39.27 3k6k s PHE 52 CO 0.52 -0.99 1.14 -1.25 -0.10 0.00 0.00 175.22 174.53 3k6k s PRO 53 N -1.88 4.31 0.42 0.24 0.04 -1.26 -4.84 135.00 132.03 3k6k s PRO 53 Ca 0.50 1.53 -0.23 0.00 0.04 0.00 0.00 61.00 62.85 3k6k s PRO 53 Cb -0.32 -3.63 -0.09 0.00 0.04 0.00 0.00 34.50 30.50 3k6k s PRO 53 CO 0.41 -0.54 1.01 1.03 0.04 0.00 0.00 177.00 178.95 3k6k s ARG 54 N 2.78 4.14 0.07 4.56 0.52 -1.26 -4.69 118.95 125.07 3k6k s ARG 54 Ca 0.51 1.35 -0.31 0.00 -0.52 0.00 0.00 55.73 56.77 3k6k s ARG 54 Cb -0.20 -2.37 -0.09 0.00 0.52 0.00 0.00 34.95 32.80 3k6k s ARG 54 CO 0.15 -0.13 1.81 0.00 0.02 0.00 0.00 175.30 177.15 3k6k s ALA 55 N -1.86 3.69 0.32 2.13 0.00 -1.26 -4.92 121.76 119.86 3k6k s ALA 55 Ca 0.60 1.32 -0.29 0.00 0.00 0.00 0.00 51.96 53.60 3k6k s ALA 55 Cb -0.17 -3.77 -0.12 0.00 0.00 0.00 0.00 23.12 19.06 3k6k s ALA 55 CO 0.22 -1.31 1.37 -1.91 0.00 0.00 0.00 175.76 174.13 3k6k n GLU 56 N 6.28 2.25 -0.04 0.00 2.13 -1.26 -2.90 120.64 127.09 3k6k n GLU 56 Ca 0.18 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.79 3k6k n GLU 56 Cb 0.40 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.68 3k6k n GLU 56 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3k6k n GLY 57 N 1.09 1.23 3.58 8.31 0.00 -1.26 -5.01 105.19 113.13 3k6k n GLY 57 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3k6k n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k6k s VAL 58 N -2.47 4.92 0.32 1.61 0.11 -1.14 -4.19 120.40 119.55 3k6k s VAL 58 Ca 0.00 0.68 -0.11 0.00 -2.93 0.00 0.00 61.98 59.62 3k6k s VAL 58 Cb 0.00 -4.03 -0.07 0.00 -1.53 0.00 0.00 36.38 30.74 3k6k s VAL 58 CO 0.00 -0.23 0.68 -1.61 -3.33 0.00 0.00 175.10 170.60 3k6k s GLU 59 N 2.64 3.83 -0.15 1.54 2.02 0.66 -4.79 118.70 124.45 3k6k s GLU 59 Ca 0.24 0.41 0.00 0.00 0.02 0.00 0.00 54.97 55.65 3k6k s GLU 59 Cb -0.15 -2.50 0.03 0.00 0.10 0.00 0.00 34.13 31.61 3k6k s GLU 59 CO 0.13 0.14 -0.10 -0.51 0.02 0.00 0.00 175.26 174.94 3k6k s LEU 60 N -3.30 1.67 -0.11 1.80 1.43 -1.26 -2.38 118.68 116.52 3k6k s LEU 60 Ca 0.50 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3k6k s LEU 60 Cb -0.11 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 3k6k s LEU 60 CO 0.25 -0.11 -0.15 -0.89 0.23 0.00 0.00 176.35 175.67 3k6k s THR 61 N 1.55 2.86 -0.16 5.49 2.01 -0.32 -4.93 115.64 122.14 3k6k s THR 61 Ca 0.03 -0.75 -0.18 0.00 0.31 0.00 0.00 61.69 61.11 3k6k s THR 61 Cb -0.14 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 3k6k s THR 61 CO -0.09 0.54 0.46 -0.76 -0.69 0.00 0.00 174.62 174.09 3k6k s LEU 62 N 0.12 4.21 0.00 4.42 1.43 -1.26 -0.97 118.68 126.63 3k6k s LEU 62 Ca -0.08 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 3k6k s LEU 62 Cb -0.15 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.42 3k6k s LEU 62 CO 0.05 -0.06 0.00 1.07 0.23 0.00 0.00 176.35 177.64 3k6k n THR 63 N 4.04 0.00 -3.80 5.49 5.66 -0.60 -4.99 114.28 120.08 3k6k n THR 63 Ca -0.07 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.83 3k6k n THR 63 Cb 0.51 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.22 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 2.00 0.01 -0.06 1.09 -4.77 -1.26 -1.53 116.67 112.15 3k6k s ASP 64 Ca 0.00 -0.47 0.00 0.00 -3.30 0.00 0.00 52.55 48.78 3k6k s ASP 64 Cb 0.00 0.36 0.02 0.00 -1.09 0.00 0.00 42.92 42.21 3k6k s ASP 64 CO 0.00 -0.70 -0.03 -0.76 0.70 0.00 0.00 175.17 174.38 3k6k s LEU 65 N -2.58 1.04 -1.22 2.11 1.43 0.12 -4.75 118.68 114.82 3k6k s LEU 65 Ca 0.01 -0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 52.85 3k6k s LEU 65 Cb 0.02 -0.45 0.14 0.00 0.03 0.00 0.00 46.19 45.93 3k6k s LEU 65 CO -0.09 -0.11 0.41 0.61 0.23 0.00 0.00 176.35 177.40 3k6k n GLY 66 N 4.51 -0.44 2.50 -3.19 0.00 -1.26 0.31 105.19 107.61 3k6k n GLY 66 Ca -0.18 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.91 0.40 3.71 -0.02 0.00 -1.26 -4.89 105.19 102.23 3k6k n GLY 67 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.92 5.13 0.56 1.61 1.01 0.15 -5.05 120.40 121.88 3k6k s VAL 68 Ca 0.00 1.12 -0.21 0.00 0.00 0.00 0.00 61.98 62.89 3k6k s VAL 68 Cb 0.00 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 3k6k s VAL 68 CO 0.00 0.28 1.26 -2.16 0.00 0.00 0.00 175.10 174.48 3k6k s PRO 69 N 0.83 3.14 0.08 2.72 0.04 -1.26 0.13 135.00 140.68 3k6k s PRO 69 Ca 0.30 1.99 -0.19 0.00 0.04 0.00 0.00 61.00 63.14 3k6k s PRO 69 Cb -0.16 -2.13 0.04 0.00 0.04 0.00 0.00 34.50 32.29 3k6k s PRO 69 CO 0.13 -1.11 0.45 0.00 0.04 0.00 0.00 177.00 176.50 3k6k s ILE 71 N -3.01 4.72 -0.15 0.00 1.01 -0.73 -1.56 121.20 121.48 3k6k s ILE 71 Ca -0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 3k6k s ILE 71 Cb 0.00 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 3k6k s ILE 71 CO -0.06 0.38 0.13 -0.60 0.00 0.00 0.00 174.94 174.80 3k6k s ARG 72 N 1.03 3.68 -0.04 2.79 3.52 -0.15 -1.16 118.95 128.62 3k6k s ARG 72 Ca 0.05 -0.16 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 3k6k s ARG 72 Cb -0.14 -3.26 0.03 0.00 -1.56 0.00 0.00 34.95 30.02 3k6k s ARG 72 CO 0.03 0.62 -0.01 -0.65 -0.81 0.00 0.00 175.30 174.48 3k6k s GLN 73 N -0.57 0.54 -0.07 5.12 -0.21 0.17 -1.18 119.66 123.46 3k6k s GLN 73 Ca 0.13 0.03 -0.31 0.00 0.02 0.00 0.00 55.36 55.22 3k6k s GLN 73 Cb -0.12 -0.71 0.08 0.00 1.00 0.00 0.00 33.01 33.27 3k6k s GLN 73 CO 0.02 -0.15 0.73 0.00 -2.12 0.00 0.00 175.29 173.77 3k6k s ALA 74 N 1.20 -1.79 1.06 6.09 0.00 -1.00 -1.01 121.76 126.31 3k6k s ALA 74 Ca -0.07 1.35 -0.17 0.00 0.00 0.00 0.00 51.96 53.07 3k6k s ALA 74 Cb -0.14 -0.10 0.23 0.00 0.00 0.00 0.00 23.12 23.11 3k6k s ALA 74 CO -0.02 -0.37 1.20 0.25 0.00 0.00 0.00 175.76 176.83 3k6k n THR 75 N 0.86 0.00 -0.70 0.00 -2.24 -1.26 -0.24 114.28 110.70 3k6k n THR 75 Ca -0.18 -0.80 -0.14 0.00 -2.27 0.00 0.00 64.05 60.67 3k6k n THR 75 Cb 0.57 -1.45 0.04 0.00 -2.10 0.00 0.00 70.33 67.39 3k6k n THR 75 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3k6k n ASP 76 N -4.07 5.84 0.00 3.42 10.43 -1.26 -3.65 116.55 127.26 3k6k n ASP 76 Ca 0.15 -2.94 0.00 0.00 2.57 0.00 0.00 54.79 54.57 3k6k n ASP 76 Cb 0.55 -1.00 0.00 0.00 1.84 0.00 0.00 41.12 42.51 3k6k n ASP 76 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3k6k n GLY 77 N 0.36 0.99 3.62 0.44 0.00 -1.26 -5.10 105.19 104.24 3k6k n GLY 77 Ca 0.27 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.79 3k6k n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k6k n ALA 78 N 0.00 -0.14 -1.00 4.61 0.00 -1.24 -4.98 120.51 117.76 3k6k n ALA 78 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3k6k n ALA 78 Cb 0.26 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.54 3k6k n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k6k n GLY 79 N 2.69 -1.05 1.32 0.00 0.00 -0.93 -4.94 105.19 102.29 3k6k n GLY 79 Ca 0.17 -1.24 0.10 0.00 0.00 0.00 0.00 46.02 45.05 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 2.64 -1.78 4.61 0.00 -1.26 -4.78 120.51 116.94 3k6k n ALA 80 Ca 0.00 -1.44 -0.36 0.00 0.00 0.00 0.00 53.44 51.64 3k6k n ALA 80 Cb 0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.40 2.93 -0.00 0.00 0.00 -1.26 -4.94 121.76 117.09 3k6k s ALA 81 Ca 0.46 0.84 0.02 0.00 0.00 0.00 0.00 51.96 53.27 3k6k s ALA 81 Cb 0.27 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 20.04 3k6k s ALA 81 CO 0.26 -0.57 -0.06 -1.01 0.00 0.00 0.00 175.76 174.39 3k6k s HIS 82 N -1.65 0.50 -0.11 0.00 0.09 -0.30 -1.54 115.29 112.27 3k6k s HIS 82 Ca 0.65 -0.12 0.02 0.00 -0.00 0.00 0.00 55.06 55.61 3k6k s HIS 82 Cb -0.25 -0.32 0.01 0.00 -0.00 0.00 0.00 32.58 32.02 3k6k s HIS 82 CO 0.30 -0.01 -0.18 0.42 -0.00 0.00 0.00 174.74 175.28 3k6k s ILE 83 N -0.20 1.66 -0.30 0.60 1.01 -0.81 -0.96 121.20 122.20 3k6k s ILE 83 Ca 0.01 -0.75 -0.12 0.00 0.00 0.00 0.00 60.65 59.79 3k6k s ILE 83 Cb -0.03 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 3k6k s ILE 83 CO -0.00 0.47 0.24 -0.22 0.00 0.00 0.00 174.94 175.43 3k6k s LEU 84 N 0.84 4.19 -0.11 2.97 2.96 0.26 -0.44 118.68 129.34 3k6k s LEU 84 Ca -0.09 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 3k6k s LEU 84 Cb -0.15 -2.17 -0.01 0.00 0.50 0.00 0.00 46.19 44.36 3k6k s LEU 84 CO 0.00 -0.14 -0.19 -0.47 -1.32 0.00 0.00 176.35 174.23 3k6k s TYR 85 N 1.80 2.68 -0.42 5.38 6.14 -0.32 -0.83 117.35 131.78 3k6k s TYR 85 Ca 0.08 -0.87 0.02 0.00 0.64 0.00 0.00 57.07 56.95 3k6k s TYR 85 Cb -0.16 -1.77 0.11 0.00 0.42 0.00 0.00 41.96 40.56 3k6k s TYR 85 CO 0.11 -0.33 0.16 -0.06 0.64 0.00 0.00 175.55 176.08 3k6k s PHE 86 N 0.35 3.55 0.99 4.97 0.08 0.39 -0.73 117.98 127.58 3k6k s PHE 86 Ca -0.15 -2.94 -0.16 0.00 0.12 0.00 0.00 56.93 53.80 3k6k s PHE 86 Cb -0.17 -2.97 -0.04 0.00 -0.57 0.00 0.00 43.02 39.27 3k6k s PHE 86 CO 0.07 -0.89 -0.22 -2.39 -0.10 0.00 0.00 175.22 171.69 3k6k n HIS 87 N 3.93 -2.78 -2.65 0.36 1.44 -1.26 -3.16 115.22 111.10 3k6k n HIS 87 Ca 0.04 0.16 0.00 0.00 -2.01 0.00 0.00 57.72 55.91 3k6k n HIS 87 Cb 0.39 -1.60 0.00 0.00 0.12 0.00 0.00 29.99 28.90 3k6k n HIS 87 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3k6k n GLY 88 N 2.42 6.00 0.00 -1.39 0.00 -1.16 -3.14 105.19 107.92 3k6k n GLY 88 Ca 0.02 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 5.00 1.47 2.37 -0.02 0.00 -1.26 -4.19 105.19 108.56 3k6k n GLY 89 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.11 0.48 3.23 -0.02 0.00 -1.26 -1.85 105.19 105.66 3k6k n GLY 90 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.63 0.00 0.32 1.61 4.02 -1.26 -4.62 117.16 114.59 3k6k n TYR 91 Ca -0.02 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.90 3k6k n TYR 91 Cb 0.22 -0.18 -0.02 0.00 -0.02 0.00 0.00 39.34 39.34 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 -2.00 0.00 -3.55 -0.72 -5.35 -1.08 -1.15 119.36 105.51 3k6k n ILE 92 Ca 0.00 -0.38 -0.06 0.00 -0.27 0.00 0.00 62.75 62.05 3k6k n ILE 92 Cb 0.00 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.94 3k6k n ILE 92 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3k6k n SER 93 N -0.81 -1.03 0.00 7.28 3.41 -0.77 -4.76 113.62 116.94 3k6k n SER 93 Ca 0.02 -1.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 3k6k n SER 93 Cb 0.12 1.77 0.00 0.00 -0.26 0.00 0.00 64.21 65.84 3k6k n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k6k n GLY 94 N -0.29 -2.34 3.75 5.00 0.00 -1.26 -4.35 105.19 105.71 3k6k n GLY 94 Ca -0.03 -1.48 -0.09 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.92 0.05 0.50 1.61 1.04 -1.26 -5.03 113.70 106.69 3k6k s SER 95 Ca 0.00 -1.02 0.19 0.00 0.48 0.00 0.00 55.95 55.60 3k6k s SER 95 Cb 0.00 0.76 1.25 0.00 0.10 0.00 0.00 66.02 68.12 3k6k s SER 95 CO 0.00 -1.47 2.04 -0.65 0.98 0.00 0.00 173.24 174.14 3k6k h PRO 96 N 2.05 0.12 -0.32 4.02 0.11 -1.87 -3.03 132.00 133.07 3k6k h PRO 96 Ca -0.27 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.71 3k6k h PRO 96 Cb 1.25 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3k6k h PRO 96 CO 0.35 0.08 -0.28 0.77 -0.21 0.00 0.00 178.00 178.71 3k6k h SER 97 N 0.13 0.80 -0.47 -2.05 0.02 -1.96 -2.65 113.55 107.37 3k6k h SER 97 Ca 0.18 -0.45 -0.02 0.00 -0.84 0.00 0.00 61.79 60.66 3k6k h SER 97 Cb 0.56 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 3k6k h SER 97 CO -0.02 1.09 0.23 0.71 -1.14 0.00 0.00 176.83 177.69 3k6k h THR 98 N 0.52 1.18 -0.59 -2.27 1.35 -1.88 -3.03 112.91 108.19 3k6k h THR 98 Ca 0.06 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3k6k h THR 98 Cb 0.84 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 3k6k h THR 98 CO 0.07 0.21 0.00 1.41 -0.25 0.00 0.00 175.52 176.96 3k6k n HIS 99 N -4.37 1.12 -0.32 4.73 8.25 -1.06 -4.31 115.22 119.26 3k6k n HIS 99 Ca 0.04 -0.48 0.05 0.00 -0.26 0.00 0.00 57.72 57.08 3k6k n HIS 99 Cb 0.14 -0.13 0.25 0.00 1.12 0.00 0.00 29.99 31.36 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 3.60 0.90 -0.82 2.41 3.38 -1.35 0.17 115.31 123.60 3k6k h LEU 100 Ca 0.00 0.02 0.21 0.00 0.09 0.00 0.00 57.88 58.20 3k6k h LEU 100 Cb 1.12 -0.17 -0.15 0.00 0.09 0.00 0.00 40.66 41.55 3k6k h LEU 100 CO 0.13 0.54 -0.03 0.52 0.09 0.00 0.00 178.44 179.69 3k6k n VAL 101 N -4.53 -0.34 -0.12 1.22 0.31 -1.26 -1.02 118.33 112.58 3k6k n VAL 101 Ca 0.16 1.81 -0.25 0.00 -0.01 0.00 0.00 64.34 66.05 3k6k n VAL 101 Cb 0.26 -2.62 -0.10 0.00 -0.91 0.00 0.00 33.84 30.47 3k6k n VAL 101 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3k6k n LEU 102 N -5.20 1.91 0.21 7.52 7.94 -0.75 -4.09 117.00 124.55 3k6k n LEU 102 Ca 0.18 0.38 0.06 0.00 -1.11 0.00 0.00 56.01 55.52 3k6k n LEU 102 Cb 0.59 -0.88 0.45 0.00 0.53 0.00 0.00 43.42 44.12 3k6k n LEU 102 CO -0.07 0.38 0.79 0.71 -1.11 0.00 0.00 177.39 178.10 3k6k h THR 103 N -1.00 1.02 0.00 1.96 1.35 -0.90 -1.93 112.91 113.40 3k6k h THR 103 Ca -0.51 -1.09 -0.14 0.00 -0.55 0.00 0.00 66.41 64.13 3k6k h THR 103 Cb 1.43 1.62 -0.02 0.00 -1.73 0.00 0.00 68.15 69.45 3k6k h THR 103 CO -0.31 0.29 -0.64 0.71 -0.25 0.00 0.00 175.52 175.32 3k6k h THR 104 N 0.00 1.36 -0.29 6.82 1.35 -1.29 -1.23 112.91 119.64 3k6k h THR 104 Ca -0.00 -2.28 -0.18 0.00 -0.55 0.00 0.00 66.41 63.40 3k6k h THR 104 Cb 0.59 2.26 -0.00 0.00 -1.73 0.00 0.00 68.15 69.28 3k6k h THR 104 CO 0.04 0.63 -0.52 1.56 -0.25 0.00 0.00 175.52 176.98 3k6k h GLN 105 N 0.00 0.84 -0.34 4.72 1.08 -1.58 -1.21 115.11 118.62 3k6k h GLN 105 Ca -0.01 -0.52 -0.04 0.00 -1.45 0.00 0.00 58.65 56.63 3k6k h GLN 105 Cb 1.21 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.68 3k6k h GLN 105 CO 0.08 1.15 0.05 -0.07 -0.95 0.00 0.00 178.83 179.10 3k6k h LEU 106 N 0.65 0.54 0.40 1.46 3.38 -1.17 -0.10 115.31 120.47 3k6k h LEU 106 Ca 0.02 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 3k6k h LEU 106 Cb 1.12 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3k6k h LEU 106 CO 0.12 0.67 -0.41 0.00 0.09 0.00 0.00 178.44 178.90 3k6k h ALA 107 N 0.89 -0.90 -0.17 1.53 0.00 -1.26 -0.87 119.26 118.48 3k6k h ALA 107 Ca 0.10 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3k6k h ALA 107 Cb 0.36 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3k6k h ALA 107 CO 0.01 -1.05 0.09 -0.22 0.00 0.00 0.00 179.25 178.08 3k6k h LYS 108 N -0.83 0.19 0.00 0.00 3.64 -1.14 -2.47 116.57 115.96 3k6k h LYS 108 Ca -0.03 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 3k6k h LYS 108 Cb 0.75 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 3k6k h LYS 108 CO -0.08 0.13 -0.47 1.96 -2.27 0.00 0.00 179.45 178.72 3k6k h GLN 109 N 0.20 0.00 0.00 1.90 4.20 -0.98 -2.97 115.11 117.46 3k6k h GLN 109 Ca 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3k6k h GLN 109 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 3k6k h GLN 109 CO -0.04 0.47 -0.05 0.77 -0.67 0.00 0.00 178.83 179.32 3k6k h SER 110 N 0.00 0.00 -6.39 1.46 0.02 -0.96 -3.47 113.55 104.21 3k6k h SER 110 Ca -0.00 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.47 3k6k h SER 110 Cb 0.93 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.44 3k6k h SER 110 CO 0.06 0.05 -0.86 -1.20 -1.14 0.00 0.00 176.83 173.74 3k6k n SER 111 N -3.13 -0.94 -4.53 3.07 7.64 -0.95 -4.91 113.62 109.88 3k6k n SER 111 Ca 0.02 -0.94 -0.25 0.00 1.01 0.00 0.00 58.87 58.70 3k6k n SER 111 Cb 0.43 -3.36 -0.10 0.00 -1.01 0.00 0.00 64.21 60.16 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 -3.81 2.86 -0.42 -0.43 0.00 -1.15 -2.18 121.76 116.63 3k6k s ALA 112 Ca 0.08 -2.07 -0.19 0.00 0.00 0.00 0.00 51.96 49.78 3k6k s ALA 112 Cb -0.04 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.10 3k6k s ALA 112 CO 0.87 0.05 0.55 0.99 0.00 0.00 0.00 175.76 178.22 3k6k s THR 113 N -2.68 4.94 0.05 0.00 2.01 -0.59 -4.63 115.64 114.73 3k6k s THR 113 Ca 0.32 -0.02 -0.18 0.00 0.31 0.00 0.00 61.69 62.12 3k6k s THR 113 Cb 0.03 -4.12 -0.06 0.00 0.01 0.00 0.00 72.50 68.36 3k6k s THR 113 CO 0.16 -0.49 0.53 -0.22 -0.69 0.00 0.00 174.62 173.91 3k6k s LEU 114 N 2.53 4.50 -0.33 4.42 0.20 -0.18 -1.92 118.68 127.90 3k6k s LEU 114 Ca 0.18 1.17 -0.00 0.00 0.69 0.00 0.00 54.13 56.17 3k6k s LEU 114 Cb -0.15 -2.81 0.07 0.00 -0.43 0.00 0.00 46.19 42.87 3k6k s LEU 114 CO 0.16 0.27 0.04 0.26 -0.29 0.00 0.00 176.35 176.79 3k6k s TRP 115 N -1.00 3.43 -0.32 5.38 0.52 0.41 -0.66 118.94 126.70 3k6k s TRP 115 Ca 0.28 -2.26 -0.16 0.00 0.02 0.00 0.00 56.10 53.98 3k6k s TRP 115 Cb -0.19 -2.49 -0.02 0.00 -1.15 0.00 0.00 33.47 29.63 3k6k s TRP 115 CO 0.17 -0.88 0.40 0.45 0.02 0.00 0.00 176.95 177.11 3k6k s SER 116 N 1.31 6.23 0.05 2.95 0.15 -0.31 -1.17 113.70 122.91 3k6k s SER 116 Ca 0.00 -0.03 -0.22 0.00 0.70 0.00 0.00 55.95 56.40 3k6k s SER 116 Cb -0.20 -2.22 -0.06 0.00 -1.71 0.00 0.00 66.02 61.83 3k6k s SER 116 CO -0.04 -0.32 0.66 -0.22 1.20 0.00 0.00 173.24 174.52 3k6k s LEU 117 N 2.12 4.48 -1.08 3.45 2.96 0.10 -1.77 118.68 128.93 3k6k s LEU 117 Ca 0.14 1.34 -0.08 0.00 -0.22 0.00 0.00 54.13 55.30 3k6k s LEU 117 Cb -0.16 -3.05 0.27 0.00 0.50 0.00 0.00 46.19 43.75 3k6k s LEU 117 CO 0.11 0.14 1.07 -0.62 -1.32 0.00 0.00 176.35 175.73 3k6k s ASP 118 N -0.54 7.16 0.48 3.68 2.15 0.48 -4.57 116.67 125.51 3k6k s ASP 118 Ca 0.33 -3.59 -0.21 0.00 0.43 0.00 0.00 52.55 49.51 3k6k s ASP 118 Cb -0.20 -2.18 -0.09 0.00 -0.30 0.00 0.00 42.92 40.16 3k6k s ASP 118 CO 0.21 -0.28 1.04 -0.72 -0.17 0.00 0.00 175.17 175.24 3k6k s TYR 119 N -1.25 3.03 0.40 -5.34 -0.85 -1.26 -4.42 117.35 107.66 3k6k s TYR 119 Ca 0.30 1.58 -0.25 0.00 -0.52 0.00 0.00 57.07 58.18 3k6k s TYR 119 Cb -0.10 -3.06 -0.11 0.00 0.38 0.00 0.00 41.96 39.07 3k6k s TYR 119 CO -0.09 -0.79 1.12 0.54 -1.52 0.00 0.00 175.55 174.82 3k6k n ARG 120 N -0.89 1.61 -4.17 -3.49 3.00 -1.26 -4.98 116.66 106.49 3k6k n ARG 120 Ca 0.09 0.57 -0.22 0.00 -0.01 0.00 0.00 57.85 58.28 3k6k n ARG 120 Cb 0.52 -2.16 -0.05 0.00 0.00 0.00 0.00 32.46 30.78 3k6k n ARG 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3k6k s LEU 121 N -0.84 3.62 0.49 0.55 1.43 -1.26 -4.09 118.68 118.58 3k6k s LEU 121 Ca 0.61 -0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 53.28 3k6k s LEU 121 Cb -0.56 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 3k6k s LEU 121 CO 0.58 -0.03 0.79 0.00 0.23 0.00 0.00 176.35 177.92 3k6k s ALA 122 N -2.20 3.41 -1.51 4.21 0.00 -0.30 -1.50 121.76 123.88 3k6k s ALA 122 Ca 0.32 -0.56 0.30 0.00 0.00 0.00 0.00 51.96 52.02 3k6k s ALA 122 Cb -0.07 -2.56 1.48 0.00 0.00 0.00 0.00 23.12 21.97 3k6k s ALA 122 CO 0.23 -0.41 2.02 -0.35 0.00 0.00 0.00 175.76 177.26 3k6k n PRO 123 N -2.29 0.51 0.07 0.00 -0.05 -1.26 -4.24 135.00 127.75 3k6k n PRO 123 Ca 0.01 -0.05 0.13 0.00 -0.05 0.00 0.00 63.50 63.54 3k6k n PRO 123 Cb 0.56 -1.50 0.48 0.00 -0.05 0.00 0.00 33.50 32.99 3k6k n PRO 123 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 175.50 174.60 3k6k n GLU 124 N -1.20 0.16 -3.23 0.54 0.00 -1.23 -4.20 120.64 111.48 3k6k n GLU 124 Ca 0.15 0.15 -0.13 0.00 0.00 0.00 0.00 57.16 57.33 3k6k n GLU 124 Cb 0.24 -1.69 -0.05 0.00 0.00 0.00 0.00 31.44 29.94 3k6k n GLU 124 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 3k6k s ASN 125 N -3.94 0.23 1.16 -1.84 0.02 -0.56 -5.03 114.94 104.97 3k6k s ASN 125 Ca 0.12 -1.69 -0.17 0.00 -1.02 0.00 0.00 52.86 50.09 3k6k s ASN 125 Cb 0.15 0.92 0.27 0.00 0.02 0.00 0.00 41.25 42.60 3k6k s ASN 125 CO 0.56 -0.19 1.09 -2.84 0.02 0.00 0.00 177.10 175.74 3k6k s PRO 126 N 1.19 -0.87 0.30 -0.60 0.02 -1.26 -3.17 135.00 130.61 3k6k s PRO 126 Ca 0.22 0.16 -0.30 0.00 0.02 0.00 0.00 61.00 61.10 3k6k s PRO 126 Cb -0.08 -1.62 -0.12 0.00 0.02 0.00 0.00 34.50 32.71 3k6k s PRO 126 CO -0.06 -3.53 1.48 0.34 -0.33 0.00 0.00 177.00 174.91 3k6k n PHE 127 N -4.67 2.63 -1.12 6.54 7.35 0.72 -0.10 117.46 128.81 3k6k n PHE 127 Ca 0.10 0.38 -0.13 0.00 -0.76 0.00 0.00 57.45 57.04 3k6k n PHE 127 Cb 0.59 -2.53 0.26 0.00 0.35 0.00 0.00 39.48 38.15 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 1.56 3.18 -0.07 -7.13 -0.04 -1.26 -4.94 135.00 126.30 3k6k n PRO 128 Ca 0.07 -3.07 -0.07 0.00 -0.04 0.00 0.00 63.50 60.39 3k6k n PRO 128 Cb 0.36 -2.21 -0.00 0.00 -0.04 0.00 0.00 33.50 31.61 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 2.05 0.25 -0.37 0.55 0.00 -0.75 -0.51 119.26 120.49 3k6k h ALA 129 Ca 0.41 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.30 3k6k h ALA 129 Cb 2.55 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 20.46 3k6k h ALA 129 CO 0.88 -0.41 -0.16 0.00 0.00 0.00 0.00 179.25 179.57 3k6k h ALA 130 N 1.24 0.51 -0.86 0.00 0.00 -1.78 -1.13 119.26 117.24 3k6k h ALA 130 Ca 0.14 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3k6k h ALA 130 Cb 0.18 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3k6k h ALA 130 CO -0.22 0.43 0.56 0.28 0.00 0.00 0.00 179.25 180.30 3k6k h VAL 131 N 0.55 1.22 -0.46 0.00 2.07 -1.88 -0.56 116.25 117.19 3k6k h VAL 131 Ca 0.08 -0.42 -0.12 0.00 0.82 0.00 0.00 66.70 67.06 3k6k h VAL 131 Cb 0.70 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3k6k h VAL 131 CO 0.05 0.22 -0.20 0.44 0.02 0.00 0.00 177.57 178.10 3k6k h ASP 132 N 1.17 0.93 -0.31 0.57 3.45 -0.64 -1.60 116.42 120.00 3k6k h ASP 132 Ca 0.32 -0.34 -0.05 0.00 0.43 0.00 0.00 57.03 57.39 3k6k h ASP 132 Cb -0.12 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.38 3k6k h ASP 132 CO -0.07 1.10 0.01 0.44 -1.57 0.00 0.00 179.24 179.15 3k6k h ASP 133 N 0.80 0.52 -0.36 6.45 3.32 -0.72 -0.54 116.42 125.89 3k6k h ASP 133 Ca 0.11 -0.30 0.06 0.00 0.02 0.00 0.00 57.03 56.92 3k6k h ASP 133 Cb 0.75 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.11 3k6k h ASP 133 CO 0.06 0.70 0.04 0.00 -1.72 0.00 0.00 179.24 178.32 3k6k h VAL 135 N 0.16 1.30 -0.88 0.00 2.07 -1.11 -1.67 116.25 116.12 3k6k h VAL 135 Ca 0.17 -1.24 0.18 0.00 0.82 0.00 0.00 66.70 66.64 3k6k h VAL 135 Cb 0.22 1.53 -0.11 0.00 -1.52 0.00 0.00 31.29 31.42 3k6k h VAL 135 CO -0.25 0.39 0.43 0.00 0.02 0.00 0.00 177.57 178.16 3k6k h ALA 136 N 0.73 1.37 -0.23 1.67 0.00 -0.80 -1.45 119.26 120.57 3k6k h ALA 136 Ca 0.06 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3k6k h ALA 136 Cb 0.66 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3k6k h ALA 136 CO 0.04 -0.19 -0.16 0.00 0.00 0.00 0.00 179.25 178.94 3k6k h ALA 137 N 1.63 0.32 -0.73 0.00 0.00 0.19 -2.96 119.26 117.72 3k6k h ALA 137 Ca 0.51 -0.33 0.08 0.00 0.00 0.00 0.00 54.91 55.17 3k6k h ALA 137 Cb 0.84 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 3k6k h ALA 137 CO -0.43 0.22 0.39 -0.92 0.00 0.00 0.00 179.25 178.51 3k6k h TYR 138 N 0.21 0.71 -0.14 0.00 -0.00 -1.09 -0.41 116.97 116.25 3k6k h TYR 138 Ca 0.04 0.03 0.05 0.00 -0.00 0.00 0.00 58.73 58.85 3k6k h TYR 138 Cb 0.69 -0.21 -0.06 0.00 -0.00 0.00 0.00 36.73 37.14 3k6k h TYR 138 CO 0.07 0.30 -0.33 -0.09 -0.00 0.00 0.00 178.16 178.11 3k6k h ARG 139 N 0.69 -0.39 -0.97 1.82 2.43 -1.18 -1.01 114.38 115.77 3k6k h ARG 139 Ca 0.34 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.55 3k6k h ARG 139 Cb 0.29 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.88 3k6k h ARG 139 CO -0.23 -0.26 0.64 0.00 -1.51 0.00 0.00 179.97 178.61 3k6k h ALA 140 N 0.40 1.24 -0.17 2.80 0.00 -1.35 -2.73 119.26 119.44 3k6k h ALA 140 Ca 0.10 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3k6k h ALA 140 Cb 0.56 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3k6k h ALA 140 CO -0.37 0.60 -0.18 1.25 0.00 0.00 0.00 179.25 180.55 3k6k h LEU 141 N 1.29 0.28 -0.49 0.00 5.85 -0.16 -1.86 115.31 120.23 3k6k h LEU 141 Ca 0.36 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 59.02 3k6k h LEU 141 Cb -0.12 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3k6k h LEU 141 CO -0.09 0.48 0.31 -0.07 -0.34 0.00 0.00 178.44 178.73 3k6k h LEU 142 N 0.27 0.52 0.10 2.25 3.38 -0.90 0.48 115.31 121.41 3k6k h LEU 142 Ca 0.05 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3k6k h LEU 142 Cb 0.48 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3k6k h LEU 142 CO 0.03 0.37 -0.29 0.11 0.09 0.00 0.00 178.44 178.75 3k6k h LYS 143 N 0.62 -0.48 -0.59 1.13 1.57 -1.37 0.28 116.57 117.74 3k6k h LYS 143 Ca 0.19 0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.91 3k6k h LYS 143 Cb -0.04 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3k6k h LYS 143 CO -0.06 -0.32 0.04 1.15 -0.57 0.00 0.00 179.45 179.69 3k6k h THR 144 N -0.50 1.26 0.03 -0.16 2.02 -0.80 -3.08 112.91 111.68 3k6k h THR 144 Ca 0.03 -1.07 -0.22 0.00 0.77 0.00 0.00 66.41 65.92 3k6k h THR 144 Cb 0.53 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 3k6k h THR 144 CO -0.18 0.39 -1.02 0.00 0.37 0.00 0.00 175.52 175.08 3k6k h ALA 145 N 1.10 0.35 0.00 6.16 0.00 0.12 -3.48 119.26 123.50 3k6k h ALA 145 Ca 0.18 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3k6k h ALA 145 Cb 0.49 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3k6k h ALA 145 CO 0.02 1.13 0.00 0.41 0.00 0.00 0.00 179.25 180.81 3k6k n GLY 146 N 1.28 2.81 2.94 0.00 0.00 0.97 -5.01 105.19 108.18 3k6k n GLY 146 Ca -0.02 -0.61 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 0.15 0.05 0.59 1.61 0.15 -1.26 -4.95 113.70 110.03 3k6k s SER 147 Ca 0.00 -0.11 0.28 0.00 0.70 0.00 0.00 55.95 56.82 3k6k s SER 147 Cb 0.00 0.08 1.59 0.00 -1.71 0.00 0.00 66.02 65.98 3k6k s SER 147 CO 0.00 -0.11 2.05 0.00 1.20 0.00 0.00 173.24 176.37 3k6k h ALA 148 N 5.59 1.93 0.00 5.45 0.00 -1.90 -2.71 119.26 127.62 3k6k h ALA 148 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3k6k h ALA 148 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3k6k h ALA 148 CO 0.46 -0.41 0.00 -0.25 0.00 0.00 0.00 179.25 179.05 3k6k n ASP 149 N -3.82 0.00 -0.05 0.00 10.43 -1.26 -2.02 116.55 119.83 3k6k n ASP 149 Ca 0.03 -0.67 0.01 0.00 2.57 0.00 0.00 54.79 56.73 3k6k n ASP 149 Cb 0.42 -0.03 0.01 0.00 1.84 0.00 0.00 41.12 43.36 3k6k n ASP 149 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 3k6k n ARG 150 N -1.03 2.96 -5.08 -1.24 3.00 -1.02 -4.27 116.66 109.97 3k6k n ARG 150 Ca 0.17 -1.56 -0.32 0.00 -0.00 0.00 0.00 57.85 56.14 3k6k n ARG 150 Cb 0.09 -1.03 -0.16 0.00 0.00 0.00 0.00 32.46 31.36 3k6k n ARG 150 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3k6k s ILE 151 N -1.04 2.26 -0.14 5.15 1.01 -0.86 -1.15 121.20 126.44 3k6k s ILE 151 Ca 0.02 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 59.70 3k6k s ILE 151 Cb 0.01 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 3k6k s ILE 151 CO 0.01 0.55 -0.04 -0.63 0.00 0.00 0.00 174.94 174.83 3k6k s ILE 152 N 0.38 3.86 0.03 2.92 -1.09 -0.13 -0.73 121.20 126.44 3k6k s ILE 152 Ca -0.16 -0.38 -0.21 0.00 -2.23 0.00 0.00 60.65 57.66 3k6k s ILE 152 Cb -0.17 -2.66 -0.06 0.00 -1.58 0.00 0.00 42.46 37.98 3k6k s ILE 152 CO 0.07 0.52 0.63 -0.63 -1.23 0.00 0.00 174.94 174.31 3k6k s ILE 153 N 0.08 4.80 -0.07 2.92 -1.09 -0.80 -0.57 121.20 126.47 3k6k s ILE 153 Ca -0.01 1.35 -0.11 0.00 -2.23 0.00 0.00 60.65 59.65 3k6k s ILE 153 Cb -0.14 -3.97 0.02 0.00 -1.58 0.00 0.00 42.46 36.79 3k6k s ILE 153 CO 0.03 0.45 0.27 0.00 -1.23 0.00 0.00 174.94 174.45 3k6k s ALA 154 N -0.43 -0.67 0.02 9.38 0.00 -0.01 -0.95 121.76 129.10 3k6k s ALA 154 Ca 0.32 0.55 -0.28 0.00 0.00 0.00 0.00 51.96 52.55 3k6k s ALA 154 Cb -0.19 -0.25 0.10 0.00 0.00 0.00 0.00 23.12 22.77 3k6k s ALA 154 CO 0.19 -0.18 0.91 0.20 0.00 0.00 0.00 175.76 176.88 3k6k s GLY 155 N -0.43 -0.42 0.05 0.00 0.00 -0.53 -0.46 107.32 105.52 3k6k s GLY 155 Ca -0.05 0.86 0.09 0.00 0.00 0.00 0.00 44.72 45.61 3k6k s GLY 155 CO 0.02 0.28 -0.24 0.51 0.00 0.00 0.00 173.10 173.66 3k6k s ASP 156 N -2.57 3.37 1.96 1.64 -4.77 -1.19 -0.80 116.67 114.31 3k6k s ASP 156 Ca 0.06 -0.55 0.00 0.00 -3.30 0.00 0.00 52.55 48.76 3k6k s ASP 156 Cb -0.01 -0.38 0.00 0.00 -1.09 0.00 0.00 42.92 41.44 3k6k s ASP 156 CO -0.07 0.25 0.00 -0.24 0.70 0.00 0.00 175.17 175.81 3k6k n SER 157 N 1.66 0.00 -0.22 2.11 2.88 -0.04 -0.87 113.62 119.15 3k6k n SER 157 Ca -0.17 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.48 3k6k n SER 157 Cb 0.52 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 64.38 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 -0.98 1.86 -0.05 -1.46 0.00 -1.84 0.42 119.26 117.20 3k6k h ALA 158 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3k6k h ALA 158 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3k6k h ALA 158 CO 0.00 -0.05 -0.40 0.78 0.00 0.00 0.00 179.25 179.58 3k6k h GLY 159 N 0.65 0.11 0.99 0.00 0.00 -0.95 0.24 103.07 104.12 3k6k h GLY 159 Ca 0.39 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.58 3k6k h GLY 159 CO -0.16 0.09 0.21 -1.33 0.00 0.00 0.00 176.54 175.36 3k6k h GLY 160 N 1.22 0.93 0.92 4.60 0.00 0.11 0.81 103.07 111.67 3k6k h GLY 160 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3k6k h GLY 160 CO 0.06 0.49 -0.04 -1.33 0.00 0.00 0.00 176.54 175.72 3k6k h GLY 161 N 0.79 -0.07 0.84 4.60 0.00 -1.11 -2.49 103.07 105.63 3k6k h GLY 161 Ca 0.19 0.05 0.11 0.00 0.00 0.00 0.00 47.33 47.68 3k6k h GLY 161 CO -0.01 -0.05 0.48 1.41 0.00 0.00 0.00 176.54 178.38 3k6k h LEU 162 N -0.09 0.51 -0.90 3.11 3.38 -0.26 -0.24 115.31 120.82 3k6k h LEU 162 Ca 0.01 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3k6k h LEU 162 Cb 0.09 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3k6k h LEU 162 CO -0.02 0.29 0.20 0.71 0.09 0.00 0.00 178.44 179.71 3k6k h THR 163 N 0.56 1.24 -0.02 0.22 1.35 -0.37 -0.11 112.91 115.79 3k6k h THR 163 Ca 0.35 -0.84 -0.02 0.00 -0.55 0.00 0.00 66.41 65.34 3k6k h THR 163 Cb 0.59 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 3k6k h THR 163 CO -0.12 0.33 -0.06 0.74 -0.25 0.00 0.00 175.52 176.15 3k6k h THR 164 N 0.98 1.49 -0.36 6.82 2.02 -1.40 -3.28 112.91 119.18 3k6k h THR 164 Ca 0.22 -1.55 -0.03 0.00 0.77 0.00 0.00 66.41 65.82 3k6k h THR 164 Cb 0.28 2.49 -0.02 0.00 -1.74 0.00 0.00 68.15 69.16 3k6k h THR 164 CO -0.01 0.41 0.12 0.00 0.37 0.00 0.00 175.52 176.42 3k6k h ALA 165 N 0.38 0.47 -0.84 6.16 0.00 -0.74 0.47 119.26 125.16 3k6k h ALA 165 Ca -0.00 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.82 3k6k h ALA 165 Cb 0.71 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3k6k h ALA 165 CO 0.01 0.10 0.55 0.66 0.00 0.00 0.00 179.25 180.58 3k6k h SER 166 N 0.43 0.81 0.42 0.00 4.64 -1.21 -1.19 113.55 117.46 3k6k h SER 166 Ca 0.12 0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.27 3k6k h SER 166 Cb 0.24 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3k6k h SER 166 CO -0.01 0.52 -0.76 0.24 -0.87 0.00 0.00 176.83 175.95 3k6k h MET 167 N 0.92 0.27 -0.18 4.77 2.86 -1.26 0.15 114.93 122.47 3k6k h MET 167 Ca 0.37 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3k6k h MET 167 Cb 0.24 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 3k6k h MET 167 CO -0.13 0.91 0.12 -0.07 1.06 0.00 0.00 176.91 178.79 3k6k h LEU 168 N 0.18 0.21 0.32 1.22 3.38 -0.61 -1.82 115.31 118.19 3k6k h LEU 168 Ca -0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3k6k h LEU 168 Cb 1.34 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3k6k h LEU 168 CO 0.12 0.16 -0.15 0.50 0.09 0.00 0.00 178.44 179.15 3k6k h LYS 169 N 0.24 -0.42 -0.48 1.13 1.63 -1.06 -2.61 116.57 115.00 3k6k h LYS 169 Ca 0.07 0.03 0.09 0.00 -0.85 0.00 0.00 60.65 59.99 3k6k h LYS 169 Cb -0.02 0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 31.62 3k6k h LYS 169 CO -0.01 -0.23 -0.05 0.00 -3.45 0.00 0.00 179.45 175.70 3k6k h ALA 170 N 0.16 0.39 -0.46 5.00 0.00 -0.70 -0.42 119.26 123.23 3k6k h ALA 170 Ca -0.04 0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.12 3k6k h ALA 170 Cb 0.38 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 3k6k h ALA 170 CO 0.07 -0.42 0.00 -0.22 0.00 0.00 0.00 179.25 178.69 3k6k h LYS 171 N 0.06 0.11 -0.01 0.00 3.64 -1.32 -0.21 116.57 118.85 3k6k h LYS 171 Ca 0.24 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3k6k h LYS 171 Cb 0.36 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3k6k h LYS 171 CO -0.44 0.07 0.00 1.49 -2.27 0.00 0.00 179.45 178.31 3k6k h GLU 172 N 0.12 0.00 -0.45 1.90 4.81 -0.92 0.18 114.58 120.22 3k6k h GLU 172 Ca 0.23 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3k6k h GLU 172 Cb 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3k6k h GLU 172 CO -0.38 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 177.65 3k6k n ASP 173 N -4.22 2.16 -0.72 1.04 8.00 -0.21 -4.93 116.55 117.67 3k6k n ASP 173 Ca -0.03 -2.09 -0.09 0.00 0.71 0.00 0.00 54.79 53.29 3k6k n ASP 173 Cb 0.09 -0.31 -0.04 0.00 -0.02 0.00 0.00 41.12 40.84 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 0.90 1.08 3.84 0.44 0.00 0.65 -5.02 105.19 107.07 3k6k n GLY 174 Ca 0.12 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.13 3.98 0.20 0.99 1.43 -0.49 -4.99 118.68 117.68 3k6k s LEU 175 Ca 0.00 1.46 -0.30 0.00 -1.03 0.00 0.00 54.13 54.25 3k6k s LEU 175 Cb 0.00 -4.29 -0.09 0.00 0.03 0.00 0.00 46.19 41.84 3k6k s LEU 175 CO 0.00 -0.30 1.39 -2.16 0.23 0.00 0.00 176.35 175.51 3k6k s PRO 176 N -3.16 4.32 0.55 1.29 0.04 -1.26 -4.41 135.00 132.37 3k6k s PRO 176 Ca 0.57 2.17 -0.21 0.00 0.04 0.00 0.00 61.00 63.58 3k6k s PRO 176 Cb -0.10 -3.17 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 3k6k s PRO 176 CO 0.17 -0.36 1.27 -1.64 0.04 0.00 0.00 177.00 176.47 3k6k s MET 177 N 0.03 3.19 0.33 4.56 -1.94 -1.26 -4.91 119.30 119.30 3k6k s MET 177 Ca 0.60 2.01 -0.03 0.00 -1.71 0.00 0.00 55.69 56.55 3k6k s MET 177 Cb -0.39 -2.17 0.07 0.00 2.01 0.00 0.00 34.83 34.35 3k6k s MET 177 CO 0.39 -1.08 0.45 -0.35 -0.01 0.00 0.00 175.02 174.42 3k6k n PRO 178 N -1.12 -0.10 0.13 2.03 -0.04 -1.26 -4.75 135.00 129.89 3k6k n PRO 178 Ca 0.11 -0.92 -0.02 0.00 -0.04 0.00 0.00 63.50 62.63 3k6k n PRO 178 Cb 0.47 -0.40 0.16 0.00 -0.04 0.00 0.00 33.50 33.70 3k6k n PRO 178 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k6k h ALA 179 N -1.24 0.96 -1.12 0.55 0.00 -0.86 -3.44 119.26 114.12 3k6k h ALA 179 Ca -0.15 -0.56 0.36 0.00 0.00 0.00 0.00 54.91 54.56 3k6k h ALA 179 Cb 0.47 -0.10 -0.16 0.00 0.00 0.00 0.00 17.79 18.00 3k6k h ALA 179 CO 0.13 0.76 0.95 0.20 0.00 0.00 0.00 179.25 181.29 3k6k s GLY 180 N -4.44 -0.39 -0.10 0.00 0.00 -1.25 -4.41 107.32 96.74 3k6k s GLY 180 Ca -0.02 1.26 0.03 0.00 0.00 0.00 0.00 44.72 45.99 3k6k s GLY 180 CO 0.77 0.33 -0.20 1.08 0.00 0.00 0.00 173.10 175.08 3k6k s LEU 181 N -2.64 1.95 -0.19 0.66 1.43 0.41 -1.90 118.68 118.39 3k6k s LEU 181 Ca 0.13 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 3k6k s LEU 181 Cb 0.04 -1.25 -0.00 0.00 0.03 0.00 0.00 46.19 45.02 3k6k s LEU 181 CO -0.05 0.10 -0.11 -0.69 0.23 0.00 0.00 176.35 175.83 3k6k s VAL 182 N 0.56 2.88 -0.09 -1.59 1.01 -0.12 -0.65 120.40 122.39 3k6k s VAL 182 Ca -0.15 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.20 3k6k s VAL 182 Cb -0.17 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 3k6k s VAL 182 CO 0.05 0.48 -0.22 -0.04 0.00 0.00 0.00 175.10 175.37 3k6k s MET 183 N 1.21 2.95 -0.28 2.72 -1.94 -0.03 -1.45 119.30 122.48 3k6k s MET 183 Ca 0.02 -0.85 -0.06 0.00 -1.71 0.00 0.00 55.69 53.09 3k6k s MET 183 Cb -0.14 -2.32 0.00 0.00 2.01 0.00 0.00 34.83 34.38 3k6k s MET 183 CO -0.05 0.26 0.06 -0.51 -0.01 0.00 0.00 175.02 174.77 3k6k s LEU 184 N 0.16 3.66 -1.26 -0.03 1.02 0.02 -1.74 118.68 120.51 3k6k s LEU 184 Ca -0.12 -0.63 -0.23 0.00 0.02 0.00 0.00 54.13 53.17 3k6k s LEU 184 Cb -0.16 -1.86 0.02 0.00 0.02 0.00 0.00 46.19 44.21 3k6k s LEU 184 CO 0.07 -0.15 0.60 -1.20 0.02 0.00 0.00 176.35 175.68 3k6k n SER 185 N 4.85 -3.38 -4.68 2.29 7.64 0.11 -0.86 113.62 119.59 3k6k n SER 185 Ca -0.15 -1.19 -0.41 0.00 1.01 0.00 0.00 58.87 58.13 3k6k n SER 185 Cb 0.49 -2.29 0.01 0.00 -1.01 0.00 0.00 64.21 61.40 3k6k n SER 185 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3k6k n PRO 186 N -4.69 1.83 -3.63 1.43 -0.04 -1.26 -2.80 135.00 125.84 3k6k n PRO 186 Ca -0.16 0.65 -0.39 0.00 -0.04 0.00 0.00 63.50 63.56 3k6k n PRO 186 Cb 0.60 -2.30 -0.10 0.00 -0.04 0.00 0.00 33.50 31.67 3k6k n PRO 186 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3k6k s PHE 187 N -1.19 3.46 0.00 0.54 5.99 -0.92 -4.57 117.98 121.29 3k6k s PHE 187 Ca 0.61 -2.00 0.00 0.00 0.00 0.00 0.00 56.93 55.54 3k6k s PHE 187 Cb -0.53 -3.32 0.00 0.00 0.00 0.00 0.00 43.02 39.17 3k6k s PHE 187 CO 0.58 -0.97 0.45 1.33 -0.00 0.00 0.00 175.22 176.62 3k6k n VAL 188 N 4.81 0.20 -3.57 3.12 0.24 -1.26 -4.10 118.33 117.77 3k6k n VAL 188 Ca -0.07 -0.33 -0.28 0.00 -2.04 0.00 0.00 64.34 61.63 3k6k n VAL 188 Cb 0.41 1.20 -0.16 0.00 -1.47 0.00 0.00 33.84 33.83 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 -0.20 3.15 -0.01 -1.34 3.68 -1.26 -2.36 116.67 118.32 3k6k s ASP 189 Ca 0.00 -1.07 0.11 0.00 2.13 0.00 0.00 52.55 53.73 3k6k s ASP 189 Cb 0.00 -0.34 0.35 0.00 -1.45 0.00 0.00 42.92 41.49 3k6k s ASP 189 CO 0.00 -0.41 1.27 0.18 0.13 0.00 0.00 175.17 176.35 3k6k n LEU 190 N 5.24 2.23 0.24 -1.34 4.32 -1.26 -3.03 117.00 123.41 3k6k n LEU 190 Ca -0.06 -1.12 0.14 0.00 -0.02 0.00 0.00 56.01 54.95 3k6k n LEU 190 Cb 0.44 -0.30 0.37 0.00 -1.62 0.00 0.00 43.42 42.32 3k6k n LEU 190 CO 0.06 0.51 0.88 0.71 -1.22 0.00 0.00 177.39 178.34 3k6k h THR 191 N 2.25 0.00 -6.29 -5.08 1.35 -1.95 -3.48 112.91 99.72 3k6k h THR 191 Ca 0.00 -0.79 -0.45 0.00 -0.55 0.00 0.00 66.41 64.62 3k6k h THR 191 Cb 0.60 1.79 0.05 0.00 -1.73 0.00 0.00 68.15 68.86 3k6k h THR 191 CO 0.03 0.00 -0.92 0.18 -0.25 0.00 0.00 175.52 174.56 3k6k n LEU 192 N -3.06 -2.68 0.00 3.87 4.77 -1.17 -4.90 117.00 113.83 3k6k n LEU 192 Ca 0.03 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 3k6k n LEU 192 Cb 0.44 -2.36 0.00 0.00 -2.33 0.00 0.00 43.42 39.16 3k6k n LEU 192 CO 0.31 0.46 0.08 -1.54 -1.33 0.00 0.00 177.39 175.37 3k6k n SER 193 N -2.78 0.13 -2.63 -1.43 3.41 -1.26 -4.93 113.62 104.14 3k6k n SER 193 Ca -0.16 -1.02 -0.06 0.00 -0.26 0.00 0.00 58.87 57.36 3k6k n SER 193 Cb 0.62 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.60 3k6k n SER 193 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3k6k n ARG 194 N -0.01 0.34 -0.28 4.33 1.74 -1.26 -4.95 116.66 116.57 3k6k n ARG 194 Ca 0.00 -0.67 -0.06 0.00 -0.77 0.00 0.00 57.85 56.35 3k6k n ARG 194 Cb 0.28 -0.19 0.06 0.00 -1.02 0.00 0.00 32.46 31.59 3k6k n ARG 194 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 3k6k h TRP 195 N -0.53 1.14 -0.02 -1.55 7.01 -1.95 -2.98 115.95 117.07 3k6k h TRP 195 Ca -0.09 -0.07 -0.16 0.00 2.11 0.00 0.00 58.89 60.69 3k6k h TRP 195 Cb 0.31 -0.35 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 3k6k h TRP 195 CO 0.00 0.85 -0.71 0.66 -2.79 0.00 0.00 178.44 176.44 3k6k h SER 196 N 1.10 0.15 -0.95 2.65 4.64 -1.92 -1.36 113.55 117.87 3k6k h SER 196 Ca 0.26 -0.10 0.04 0.00 -0.47 0.00 0.00 61.79 61.51 3k6k h SER 196 Cb 0.15 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 62.14 3k6k h SER 196 CO -0.03 0.81 0.63 0.78 -0.87 0.00 0.00 176.83 178.15 3k6k h ASN 197 N 0.09 1.04 0.13 4.97 2.35 -1.31 0.80 115.58 123.64 3k6k h ASN 197 Ca -0.02 -0.01 -0.19 0.00 -0.55 0.00 0.00 56.30 55.54 3k6k h ASN 197 Cb 1.26 -0.24 0.02 0.00 0.05 0.00 0.00 38.32 39.41 3k6k h ASN 197 CO 0.10 0.71 -0.84 0.28 -1.65 0.00 0.00 177.43 176.03 3k6k h SER 198 N 1.20 0.44 1.08 5.81 0.02 -1.58 -3.33 113.55 117.19 3k6k h SER 198 Ca 0.38 -0.94 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 3k6k h SER 198 Cb 0.01 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.41 3k6k h SER 198 CO -0.12 1.40 -0.60 0.78 -1.14 0.00 0.00 176.83 177.16 3k6k h ASN 199 N -0.40 0.00 -0.00 3.07 2.35 -0.99 -3.33 115.58 116.29 3k6k h ASN 199 Ca -0.15 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 3k6k h ASN 199 Cb 1.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.00 3k6k h ASN 199 CO 0.13 0.06 -0.00 0.18 -1.65 0.00 0.00 177.43 176.15 3k6k n LEU 200 N -2.38 0.74 -0.32 1.61 4.77 0.25 -4.77 117.00 116.90 3k6k n LEU 200 Ca 0.03 -0.86 0.05 0.00 -0.03 0.00 0.00 56.01 55.20 3k6k n LEU 200 Cb 0.48 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.68 3k6k n LEU 200 CO 0.36 0.18 0.57 0.00 -1.33 0.00 0.00 177.39 177.17 3k6k n ALA 201 N -0.28 0.17 0.46 -1.18 0.00 -1.22 -0.09 120.51 118.37 3k6k n ALA 201 Ca 0.00 0.95 0.05 0.00 0.00 0.00 0.00 53.44 54.44 3k6k n ALA 201 Cb 0.01 -0.55 0.25 0.00 0.00 0.00 0.00 19.45 19.16 3k6k n ALA 201 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3k6k n ASP 202 N -5.41 0.00 -0.00 0.00 9.92 -1.26 -2.16 116.55 117.64 3k6k n ASP 202 Ca 0.13 0.20 0.05 0.00 -0.53 0.00 0.00 54.79 54.64 3k6k n ASP 202 Cb 0.43 -0.32 -0.07 0.00 -0.64 0.00 0.00 41.12 40.52 3k6k n ASP 202 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3k6k n ARG 203 N -1.32 1.75 -3.24 -1.24 1.74 0.87 -4.91 116.66 110.31 3k6k n ARG 203 Ca 0.04 -0.05 -0.44 0.00 -0.77 0.00 0.00 57.85 56.63 3k6k n ARG 203 Cb 0.09 -1.12 -0.07 0.00 -1.02 0.00 0.00 32.46 30.34 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 -2.64 6.20 0.00 0.55 -1.08 -0.92 -4.73 116.67 114.05 3k6k s ASP 204 Ca -0.01 -0.99 0.24 0.00 -0.52 0.00 0.00 52.55 51.27 3k6k s ASP 204 Cb 0.07 -2.25 0.26 0.00 -1.46 0.00 0.00 42.92 39.53 3k6k s ASP 204 CO 0.41 -0.78 1.29 0.49 0.52 0.00 0.00 175.17 177.10 3k6k n PHE 205 N 5.83 0.00 -0.04 -5.34 3.72 -1.26 -4.36 117.46 116.00 3k6k n PHE 205 Ca -0.08 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.27 3k6k n PHE 205 Cb 0.45 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.93 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 1.01 0.96 0.22 4.37 4.77 -1.26 -4.54 117.00 122.52 3k6k n LEU 206 Ca 0.14 -0.02 0.11 0.00 -0.03 0.00 0.00 56.01 56.21 3k6k n LEU 206 Cb 0.55 0.02 0.34 0.00 -2.33 0.00 0.00 43.42 42.00 3k6k n LEU 206 CO 0.17 0.35 0.79 0.00 -1.33 0.00 0.00 177.39 177.37 3k6k h ALA 207 N 0.27 0.94 -3.32 -1.18 0.00 -1.96 -3.47 119.26 110.55 3k6k h ALA 207 Ca -0.22 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 3k6k h ALA 207 Cb 1.45 -0.02 0.06 0.00 0.00 0.00 0.00 17.79 19.28 3k6k h ALA 207 CO -0.00 0.19 -0.29 -1.91 0.00 0.00 0.00 179.25 177.24 3k6k n GLU 208 N -3.20 -2.58 -0.29 0.00 4.07 -1.26 -4.83 120.64 112.56 3k6k n GLU 208 Ca 0.02 0.32 0.10 0.00 -0.06 0.00 0.00 57.16 57.54 3k6k n GLU 208 Cb 0.49 -3.78 0.25 0.00 -0.06 0.00 0.00 31.44 28.34 3k6k n GLU 208 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 3k6k h PRO 209 N -0.76 0.39 0.00 5.31 0.11 -1.90 -1.60 132.00 133.56 3k6k h PRO 209 Ca -0.22 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3k6k h PRO 209 Cb 1.13 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3k6k h PRO 209 CO 0.19 0.26 0.00 -0.25 -0.21 0.00 0.00 178.00 177.99 3k6k n ASP 210 N -5.04 0.00 0.00 -2.05 10.43 -1.26 -2.40 116.55 116.23 3k6k n ASP 210 Ca 0.19 -0.15 0.00 0.00 2.57 0.00 0.00 54.79 57.39 3k6k n ASP 210 Cb 0.55 -0.07 0.00 0.00 1.84 0.00 0.00 41.12 43.44 3k6k n ASP 210 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 3k6k n THR 211 N -1.07 0.00 -0.02 -3.53 -2.24 -0.99 -4.78 114.28 101.64 3k6k n THR 211 Ca 0.06 0.00 0.23 0.00 -2.27 0.00 0.00 64.05 62.06 3k6k n THR 211 Cb 0.04 0.53 0.72 0.00 -2.10 0.00 0.00 70.33 69.51 3k6k n THR 211 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3k6k h LEU 212 N 0.00 0.00 -0.05 3.22 3.38 -0.94 0.39 115.31 121.31 3k6k h LEU 212 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3k6k h LEU 212 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3k6k h LEU 212 CO 0.00 0.00 -0.43 1.23 0.09 0.00 0.00 178.44 179.33 3k6k h GLY 213 N 0.00 -1.19 1.93 0.83 0.00 -1.86 0.12 103.07 102.90 3k6k h GLY 213 Ca 0.28 0.67 0.00 0.00 0.00 0.00 0.00 47.33 48.28 3k6k h GLY 213 CO -0.00 -0.29 -0.05 1.18 0.00 0.00 0.00 176.54 177.38 3k6k n GLU 214 N -4.84 0.24 0.35 4.80 -0.58 0.10 -1.02 120.64 119.70 3k6k n GLU 214 Ca -0.05 0.19 -0.17 0.00 -0.42 0.00 0.00 57.16 56.71 3k6k n GLU 214 Cb 0.31 -1.77 -0.08 0.00 -0.57 0.00 0.00 31.44 29.32 3k6k n GLU 214 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 3k6k h MET 215 N 0.00 -0.96 -0.82 3.49 4.05 -0.12 -2.98 114.93 117.59 3k6k h MET 215 Ca 0.00 0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.48 3k6k h MET 215 Cb 0.72 0.22 -0.04 0.00 -0.80 0.00 0.00 31.60 31.70 3k6k h MET 215 CO 0.00 -0.64 0.49 0.66 0.23 0.00 0.00 176.91 177.65 3k6k h SER 216 N -1.00 0.98 -0.46 1.39 4.64 -0.49 -2.92 113.55 115.69 3k6k h SER 216 Ca -0.08 -0.07 0.10 0.00 -0.47 0.00 0.00 61.79 61.27 3k6k h SER 216 Cb 0.81 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 3k6k h SER 216 CO 0.06 0.76 0.32 -0.08 -0.87 0.00 0.00 176.83 177.02 3k6k h GLU 217 N 1.12 0.18 0.00 4.77 4.57 -0.98 0.55 114.58 124.79 3k6k h GLU 217 Ca 0.29 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.45 3k6k h GLU 217 Cb -0.04 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.51 3k6k h GLU 217 CO -0.05 0.12 -0.05 -0.07 -1.18 0.00 0.00 179.01 177.77 3k6k h LEU 218 N 0.18 0.00 0.01 1.64 3.38 -1.36 -2.07 115.31 117.09 3k6k h LEU 218 Ca 0.21 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.81 3k6k h LEU 218 Cb 0.61 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 3k6k h LEU 218 CO -0.03 0.05 -2.37 0.00 0.09 0.00 0.00 178.44 176.18 3k6k n TYR 219 N -4.28 0.16 -0.12 1.13 4.19 0.18 -4.24 117.16 114.18 3k6k n TYR 219 Ca -0.03 0.04 -0.08 0.00 3.31 0.00 0.00 57.90 61.15 3k6k n TYR 219 Cb 0.13 -1.02 0.00 0.00 0.49 0.00 0.00 39.34 38.94 3k6k n TYR 219 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 3k6k h VAL 220 N 0.01 1.06 0.00 2.97 2.07 -1.15 0.21 116.25 121.42 3k6k h VAL 220 Ca -0.54 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3k6k h VAL 220 Cb 2.03 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3k6k h VAL 220 CO -0.03 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.26 3k6k n GLY 221 N -1.20 2.96 0.22 2.17 0.00 -0.78 -1.39 105.19 107.16 3k6k n GLY 221 Ca 0.00 -0.24 0.15 0.00 0.00 0.00 0.00 46.02 45.94 3k6k n GLY 221 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3k6k h GLY 222 N 0.00 0.00 -0.91 -0.02 0.00 -1.92 -3.48 103.07 96.73 3k6k h GLY 222 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 3k6k h GLY 222 CO 0.00 0.00 0.13 -0.54 0.00 0.00 0.00 176.54 176.13 3k6k s GLU 223 N -3.52 -0.40 -0.06 4.80 0.41 -0.49 -5.00 118.70 114.45 3k6k s GLU 223 Ca 0.03 0.38 -0.25 0.00 -0.41 0.00 0.00 54.97 54.72 3k6k s GLU 223 Cb 0.09 -1.65 -0.03 0.00 -1.78 0.00 0.00 34.13 30.76 3k6k s GLU 223 CO 0.49 -3.26 0.78 0.34 -0.49 0.00 0.00 175.26 173.12 3k6k s ASP 224 N -3.40 7.08 0.53 -0.19 2.15 -1.26 -4.95 116.67 116.63 3k6k s ASP 224 Ca 0.67 1.31 0.29 0.00 0.43 0.00 0.00 52.55 55.24 3k6k s ASP 224 Cb -0.17 -2.45 1.45 0.00 -0.30 0.00 0.00 42.92 41.45 3k6k s ASP 224 CO 0.58 -0.17 2.06 0.03 -0.17 0.00 0.00 175.17 177.50 3k6k h ARG 225 N 6.81 0.00 -0.27 4.34 3.08 -1.94 0.37 114.38 126.77 3k6k h ARG 225 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.65 3k6k h ARG 225 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3k6k h ARG 225 CO 0.76 0.11 0.00 1.63 -1.07 0.00 0.00 179.97 181.40 3k6k n LYS 226 N -3.54 1.70 -1.67 0.04 5.02 -1.26 -4.06 118.16 114.39 3k6k n LYS 226 Ca -0.01 -1.08 -0.48 0.00 -2.02 0.00 0.00 58.31 54.71 3k6k n LYS 226 Cb 0.25 -1.28 -0.05 0.00 -0.02 0.00 0.00 35.03 33.93 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 0.35 3.08 0.32 4.39 4.05 0.13 -4.75 115.26 122.83 3k6k n ASN 227 Ca 0.12 1.04 0.19 0.00 0.45 0.00 0.00 54.58 56.38 3k6k n ASN 227 Cb 0.27 -1.36 1.02 0.00 1.23 0.00 0.00 39.78 40.94 3k6k n ASN 227 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3k6k h PRO 228 N 7.29 0.00 0.00 1.20 0.13 -1.86 0.97 132.00 139.72 3k6k h PRO 228 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3k6k h PRO 228 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3k6k h PRO 228 CO 0.91 0.00 -0.63 1.28 -0.23 0.00 0.00 178.00 179.33 3k6k n LEU 229 N -3.11 0.60 -0.06 1.56 7.99 -1.26 -3.00 117.00 119.71 3k6k n LEU 229 Ca -0.02 0.10 -0.22 0.00 -0.01 0.00 0.00 56.01 55.86 3k6k n LEU 229 Cb 0.22 -0.20 -0.12 0.00 -0.11 0.00 0.00 43.42 43.20 3k6k n LEU 229 CO 0.19 0.04 -0.84 -0.38 -1.51 0.00 0.00 177.39 174.88 3k6k n ILE 230 N -1.83 1.64 -3.70 -0.08 5.41 0.12 -4.81 119.36 116.10 3k6k n ILE 230 Ca 0.04 -0.39 -0.29 0.00 1.00 0.00 0.00 62.75 63.11 3k6k n ILE 230 Cb 0.39 -1.82 -0.12 0.00 -0.71 0.00 0.00 39.64 37.38 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 -6.97 3.52 0.00 4.38 0.01 0.02 -4.73 113.70 109.92 3k6k s SER 231 Ca -0.28 -3.11 0.03 0.00 1.31 0.00 0.00 55.95 53.89 3k6k s SER 231 Cb 0.08 -1.10 0.12 0.00 0.21 0.00 0.00 66.02 65.33 3k6k s SER 231 CO 0.66 -0.19 1.06 -2.65 0.41 0.00 0.00 173.24 172.53 3k6k n PRO 232 N 2.89 0.01 0.27 12.44 -0.02 -0.99 -0.99 135.00 148.60 3k6k n PRO 232 Ca 0.17 0.42 0.11 0.00 -2.02 0.00 0.00 63.50 62.18 3k6k n PRO 232 Cb 0.38 -1.50 0.74 0.00 -0.02 0.00 0.00 33.50 33.10 3k6k n PRO 232 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3k6k h VAL 233 N 0.00 0.75 -0.05 -1.45 3.04 -1.84 -2.41 116.25 114.30 3k6k h VAL 233 Ca 0.00 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 3k6k h VAL 233 Cb 0.04 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 3k6k h VAL 233 CO 0.00 0.06 0.00 -1.22 -1.01 0.00 0.00 177.57 175.40 3k6k n TYR 234 N -4.04 0.03 -1.65 3.17 4.01 -0.16 -4.94 117.16 113.57 3k6k n TYR 234 Ca -0.03 -0.02 -0.19 0.00 -0.16 0.00 0.00 57.90 57.50 3k6k n TYR 234 Cb 0.15 0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.31 3k6k n TYR 234 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k6k n ALA 235 N 0.93 -0.96 -3.52 -0.72 0.00 -0.91 -4.78 120.51 110.55 3k6k n ALA 235 Ca 0.16 -1.16 -0.40 0.00 0.00 0.00 0.00 53.44 52.04 3k6k n ALA 235 Cb 0.51 -0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.82 3k6k n ALA 235 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3k6k s ASP 236 N -4.20 5.63 0.00 0.00 -1.08 -1.26 -4.94 116.67 110.82 3k6k s ASP 236 Ca 0.50 -1.83 0.27 0.00 -0.52 0.00 0.00 52.55 50.97 3k6k s ASP 236 Cb -0.01 -1.98 0.88 0.00 -1.46 0.00 0.00 42.92 40.34 3k6k s ASP 236 CO 0.35 -0.64 1.64 0.18 0.52 0.00 0.00 175.17 177.22 3k6k n LEU 237 N 4.87 1.02 -4.61 -1.34 4.77 -1.26 -4.93 117.00 115.53 3k6k n LEU 237 Ca -0.08 -0.26 -0.40 0.00 -0.03 0.00 0.00 56.01 55.24 3k6k n LEU 237 Cb 0.41 -0.11 0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3k6k n LEU 237 CO 0.41 0.19 0.57 -1.54 -1.33 0.00 0.00 177.39 175.68 3k6k n SER 238 N -0.55 1.07 0.00 -1.43 3.41 -1.26 -2.45 113.62 112.42 3k6k n SER 238 Ca 0.14 0.95 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 3k6k n SER 238 Cb 0.34 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 62.92 3k6k n SER 238 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k6k n GLY 239 N 1.22 1.59 3.78 5.00 0.00 -1.26 -5.04 105.19 110.49 3k6k n GLY 239 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 3.49 0.88 0.99 1.43 -1.02 -4.98 118.68 119.46 3k6k s LEU 240 Ca 0.00 1.98 -0.13 0.00 -1.03 0.00 0.00 54.13 54.95 3k6k s LEU 240 Cb 0.00 -4.55 0.13 0.00 0.03 0.00 0.00 46.19 41.80 3k6k s LEU 240 CO 0.00 -1.43 1.20 -2.16 0.23 0.00 0.00 176.35 174.19 3k6k s PRO 241 N -3.94 1.36 0.14 1.29 0.04 -1.26 -4.80 135.00 127.83 3k6k s PRO 241 Ca 0.67 0.02 -0.34 0.00 0.04 0.00 0.00 61.00 61.40 3k6k s PRO 241 Cb -0.20 -1.89 -0.17 0.00 0.04 0.00 0.00 34.50 32.28 3k6k s PRO 241 CO 0.37 -1.99 1.04 0.39 0.04 0.00 0.00 177.00 176.85 3k6k n GLU 242 N -3.57 0.71 -4.47 4.56 1.02 -1.26 -4.61 120.64 113.02 3k6k n GLU 242 Ca 0.10 0.25 -0.32 0.00 -0.02 0.00 0.00 57.16 57.17 3k6k n GLU 242 Cb 0.60 -1.67 -0.11 0.00 -0.02 0.00 0.00 31.44 30.25 3k6k n GLU 242 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3k6k s MET 243 N -0.40 2.48 -0.09 3.49 -1.94 0.15 -0.45 119.30 122.54 3k6k s MET 243 Ca 0.76 -0.77 0.02 0.00 -1.71 0.00 0.00 55.69 53.99 3k6k s MET 243 Cb -0.96 -2.46 0.01 0.00 2.01 0.00 0.00 34.83 33.44 3k6k s MET 243 CO 0.54 0.59 -0.15 -1.17 -0.01 0.00 0.00 175.02 174.81 3k6k s LEU 244 N -1.46 1.74 -0.09 -0.03 2.96 0.17 -1.38 118.68 120.60 3k6k s LEU 244 Ca 0.17 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 3k6k s LEU 244 Cb -0.11 -1.04 0.01 0.00 0.50 0.00 0.00 46.19 45.55 3k6k s LEU 244 CO 0.08 0.04 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.37 3k6k s ILE 245 N 0.78 1.41 -0.08 6.68 1.01 0.19 -0.85 121.20 130.34 3k6k s ILE 245 Ca -0.11 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 59.96 3k6k s ILE 245 Cb -0.16 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 3k6k s ILE 245 CO 0.02 0.42 -0.21 -1.00 0.00 0.00 0.00 174.94 174.17 3k6k s HIS 246 N 0.74 2.57 -0.00 3.97 3.76 -0.71 -0.38 115.29 125.24 3k6k s HIS 246 Ca -0.12 -0.71 -0.05 0.00 -0.15 0.00 0.00 55.06 54.03 3k6k s HIS 246 Cb -0.16 -1.68 -0.00 0.00 1.11 0.00 0.00 32.58 31.85 3k6k s HIS 246 CO 0.03 -0.21 0.09 0.54 -0.85 0.00 0.00 174.74 174.33 3k6k s VAL 247 N -0.01 0.08 0.59 -0.90 0.11 -0.84 0.06 120.40 119.49 3k6k s VAL 247 Ca -0.07 -0.63 -0.06 0.00 -2.93 0.00 0.00 61.98 58.29 3k6k s VAL 247 Cb -0.15 -0.33 0.00 0.00 -1.53 0.00 0.00 36.38 34.37 3k6k s VAL 247 CO 0.05 -0.35 0.91 -0.83 -3.33 0.00 0.00 175.10 171.55 3k6k s GLY 248 N -1.15 1.60 0.47 6.54 0.00 -1.26 -1.60 107.32 111.92 3k6k s GLY 248 Ca -0.12 -0.64 0.20 0.00 0.00 0.00 0.00 44.72 44.15 3k6k s GLY 248 CO 0.01 -0.37 2.00 1.48 0.00 0.00 0.00 173.10 176.22 3k6k h SER 249 N -0.18 0.00 -2.05 1.64 4.64 -1.03 -3.38 113.55 113.19 3k6k h SER 249 Ca -0.45 0.00 -0.78 0.00 -0.47 0.00 0.00 61.79 60.09 3k6k h SER 249 Cb 1.25 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.07 3k6k h SER 249 CO 0.61 0.18 1.06 -0.62 -0.87 0.00 0.00 176.83 177.19 3k6k n GLU 250 N -3.96 3.59 -3.82 4.77 -0.58 -0.10 -4.90 120.64 115.63 3k6k n GLU 250 Ca -0.02 -3.85 -0.25 0.00 -0.42 0.00 0.00 57.16 52.62 3k6k n GLU 250 Cb 0.27 -2.33 -0.17 0.00 -0.57 0.00 0.00 31.44 28.64 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 -4.08 0.99 0.55 3.49 2.02 -1.26 -4.00 118.70 116.41 3k6k s GLU 251 Ca 0.48 -0.11 0.32 0.00 0.02 0.00 0.00 54.97 55.69 3k6k s GLU 251 Cb 0.36 -1.35 1.49 0.00 0.10 0.00 0.00 34.13 34.72 3k6k s GLU 251 CO -0.32 -0.33 1.85 0.00 0.02 0.00 0.00 175.26 176.48 3k6k h ALA 252 N 8.25 2.83 -0.45 5.21 0.00 -1.80 -2.35 119.26 130.95 3k6k h ALA 252 Ca -0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3k6k h ALA 252 Cb 1.13 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3k6k h ALA 252 CO 0.33 -1.16 0.00 1.28 0.00 0.00 0.00 179.25 179.70 3k6k n LEU 253 N -4.14 4.25 -0.12 0.00 4.77 -1.26 -2.44 117.00 118.06 3k6k n LEU 253 Ca 0.19 -2.15 -0.11 0.00 -0.03 0.00 0.00 56.01 53.91 3k6k n LEU 253 Cb 1.01 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 3k6k n LEU 253 CO 0.37 0.56 0.76 0.25 -1.33 0.00 0.00 177.39 178.01 3k6k h LEU 254 N 3.00 0.62 -0.50 2.23 5.85 -1.75 -1.17 115.31 123.59 3k6k h LEU 254 Ca 0.00 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3k6k h LEU 254 Cb 1.45 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.31 3k6k h LEU 254 CO 0.30 0.80 0.00 -1.20 -0.34 0.00 0.00 178.44 178.00 3k6k n SER 255 N -4.48 0.34 -0.02 1.25 7.64 -1.26 -1.33 113.62 115.76 3k6k n SER 255 Ca -0.02 0.61 -0.07 0.00 1.01 0.00 0.00 58.87 60.40 3k6k n SER 255 Cb 0.29 -0.67 0.11 0.00 -1.01 0.00 0.00 64.21 62.93 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 0.62 0.37 6.43 3.45 -1.52 -1.19 116.42 124.59 3k6k h ASP 256 Ca 0.00 -0.26 -0.32 0.00 0.43 0.00 0.00 57.03 56.88 3k6k h ASP 256 Cb 0.21 -0.17 0.03 0.00 -0.56 0.00 0.00 39.33 38.84 3k6k h ASP 256 CO 0.00 0.92 -1.44 0.28 -1.57 0.00 0.00 179.24 177.43 3k6k h SER 257 N 0.50 0.71 -0.01 6.45 0.02 -1.22 0.12 113.55 120.11 3k6k h SER 257 Ca 0.05 -0.78 -0.21 0.00 -0.84 0.00 0.00 61.79 60.01 3k6k h SER 257 Cb 0.84 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 63.16 3k6k h SER 257 CO 0.07 1.61 -0.76 0.71 -1.14 0.00 0.00 176.83 177.32 3k6k h THR 258 N 0.12 1.31 0.03 -2.27 1.35 -1.47 -1.90 112.91 110.08 3k6k h THR 258 Ca -0.23 -2.03 0.01 0.00 -0.55 0.00 0.00 66.41 63.62 3k6k h THR 258 Cb 2.11 2.02 -0.02 0.00 -1.73 0.00 0.00 68.15 70.54 3k6k h THR 258 CO 0.25 0.63 -0.10 0.74 -0.25 0.00 0.00 175.52 176.79 3k6k h THR 259 N 0.46 0.76 -0.12 6.82 2.02 -1.30 0.64 112.91 122.19 3k6k h THR 259 Ca -0.05 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.18 3k6k h THR 259 Cb 1.38 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 68.48 3k6k h THR 259 CO 0.15 0.00 -0.34 0.25 0.37 0.00 0.00 175.52 175.95 3k6k h LEU 260 N -0.18 -1.04 -0.64 2.58 6.46 -0.77 0.83 115.31 122.55 3k6k h LEU 260 Ca 0.03 0.15 0.09 0.00 -0.12 0.00 0.00 57.88 58.02 3k6k h LEU 260 Cb 0.21 0.44 -0.07 0.00 -0.73 0.00 0.00 40.66 40.51 3k6k h LEU 260 CO -0.08 -0.37 0.28 0.00 -0.62 0.00 0.00 178.44 177.65 3k6k h ALA 261 N 0.36 0.85 -0.53 1.25 0.00 -1.27 0.25 119.26 120.17 3k6k h ALA 261 Ca 0.09 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3k6k h ALA 261 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3k6k h ALA 261 CO -0.35 -0.12 0.29 1.49 0.00 0.00 0.00 179.25 180.55 3k6k h GLU 262 N 0.50 0.55 0.18 0.00 4.81 -0.30 0.21 114.58 120.52 3k6k h GLU 262 Ca 0.32 -0.03 -0.31 0.00 -0.13 0.00 0.00 59.36 59.20 3k6k h GLU 262 Cb 0.35 -0.12 0.02 0.00 0.63 0.00 0.00 28.75 29.62 3k6k h GLU 262 CO -0.27 0.36 -1.43 0.00 -0.73 0.00 0.00 179.01 176.94 3k6k h ARG 263 N 0.56 0.39 -0.22 1.92 2.47 -0.15 -1.39 114.38 117.96 3k6k h ARG 263 Ca 0.22 -0.66 -0.08 0.00 -1.26 0.00 0.00 59.98 58.20 3k6k h ARG 263 Cb 0.09 0.25 -0.00 0.00 -1.65 0.00 0.00 29.97 28.65 3k6k h ARG 263 CO -0.13 1.30 -0.16 0.00 0.56 0.00 0.00 179.97 181.53 3k6k h ALA 264 N 0.36 0.31 -0.34 0.04 0.00 -0.56 -2.08 119.26 117.00 3k6k h ALA 264 Ca -0.22 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.43 3k6k h ALA 264 Cb 2.07 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 19.71 3k6k h ALA 264 CO 0.22 0.22 -0.30 0.78 0.00 0.00 0.00 179.25 180.17 3k6k h GLY 265 N 0.19 -0.23 2.00 0.00 0.00 -1.01 0.20 103.07 104.22 3k6k h GLY 265 Ca 0.04 0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.75 3k6k h GLY 265 CO 0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 176.54 176.37 3k6k h ALA 266 N 0.76 1.01 -0.39 3.60 0.00 -1.08 -0.65 119.26 122.51 3k6k h ALA 266 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3k6k h ALA 266 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3k6k h ALA 266 CO -0.49 0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.77 3k6k n ALA 267 N -2.09 2.44 -0.56 0.00 0.00 0.63 -4.89 120.51 116.04 3k6k n ALA 267 Ca -0.02 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.67 3k6k n ALA 267 Cb 0.14 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 1.21 0.70 3.72 0.00 0.00 -0.25 -4.15 105.19 106.42 3k6k n GLY 268 Ca 0.15 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 0.21 1.61 1.01 -0.76 -4.90 120.40 120.57 3k6k s VAL 269 Ca 0.00 1.55 -0.31 0.00 0.00 0.00 0.00 61.98 63.22 3k6k s VAL 269 Cb 0.00 -4.09 -0.11 0.00 0.00 0.00 0.00 36.38 32.18 3k6k s VAL 269 CO 0.00 0.24 1.63 -0.55 0.00 0.00 0.00 175.10 176.42 3k6k s SER 270 N 0.78 6.47 -0.04 3.32 0.15 -1.26 -4.12 113.70 119.00 3k6k s SER 270 Ca 0.40 2.78 -0.00 0.00 0.70 0.00 0.00 55.95 59.82 3k6k s SER 270 Cb -0.18 -2.60 0.03 0.00 -1.71 0.00 0.00 66.02 61.55 3k6k s SER 270 CO 0.20 -0.89 0.01 -0.69 1.20 0.00 0.00 173.24 173.07 3k6k s VAL 271 N 0.90 0.17 -0.18 4.45 1.01 -1.26 -0.67 120.40 124.81 3k6k s VAL 271 Ca 0.70 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.82 3k6k s VAL 271 Cb -0.47 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 35.61 3k6k s VAL 271 CO 0.35 0.17 -0.13 -1.61 0.00 0.00 0.00 175.10 173.89 3k6k s GLU 272 N 1.38 3.22 -0.01 2.72 2.02 -0.48 -5.01 118.70 122.54 3k6k s GLU 272 Ca -0.05 -0.72 0.08 0.00 0.02 0.00 0.00 54.97 54.29 3k6k s GLU 272 Cb -0.13 -2.75 -0.02 0.00 0.10 0.00 0.00 34.13 31.33 3k6k s GLU 272 CO -0.03 -0.11 -0.24 -1.17 0.02 0.00 0.00 175.26 173.73 3k6k s LEU 273 N 1.16 2.21 -0.05 1.80 0.20 -1.26 0.55 118.68 123.29 3k6k s LEU 273 Ca 0.01 -0.45 -0.02 0.00 0.69 0.00 0.00 54.13 54.36 3k6k s LEU 273 Cb -0.14 -1.37 0.04 0.00 -0.43 0.00 0.00 46.19 44.28 3k6k s LEU 273 CO -0.05 0.31 0.09 -0.75 -0.29 0.00 0.00 176.35 175.66 3k6k s LYS 274 N -0.81 -0.03 -0.26 1.98 2.20 0.49 -4.95 119.74 118.36 3k6k s LYS 274 Ca 0.11 0.42 -0.12 0.00 -0.36 0.00 0.00 55.97 56.01 3k6k s LYS 274 Cb -0.10 -0.39 -0.05 0.00 -1.51 0.00 0.00 37.83 35.79 3k6k s LYS 274 CO 0.00 -0.29 0.24 0.42 -0.36 0.00 0.00 175.35 175.36 3k6k s ILE 275 N 2.03 5.28 -0.30 5.43 1.01 -1.26 -1.98 121.20 131.41 3k6k s ILE 275 Ca 0.02 0.31 -0.12 0.00 0.00 0.00 0.00 60.65 60.86 3k6k s ILE 275 Cb -0.12 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 3k6k s ILE 275 CO -0.04 0.25 0.23 0.26 0.00 0.00 0.00 174.94 175.64 3k6k s TRP 276 N 1.64 3.22 0.26 3.97 0.52 -0.63 -4.89 118.94 123.05 3k6k s TRP 276 Ca 0.10 0.01 -0.31 0.00 0.02 0.00 0.00 56.10 55.93 3k6k s TRP 276 Cb -0.15 -2.44 -0.13 0.00 -1.15 0.00 0.00 33.47 29.59 3k6k s TRP 276 CO 0.09 -0.25 1.41 -2.30 0.02 0.00 0.00 176.95 175.92 3k6k n PRO 277 N 5.11 2.13 -1.24 4.98 -0.02 -1.26 -1.57 135.00 143.12 3k6k n PRO 277 Ca -0.13 0.75 -0.08 0.00 -2.02 0.00 0.00 63.50 62.02 3k6k n PRO 277 Cb 0.51 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 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 1.94 -4.85 -4.87 2.55 8.00 -1.26 -4.84 116.55 113.22 3k6k n ASP 278 Ca 0.10 0.20 -0.36 0.00 0.71 0.00 0.00 54.79 55.44 3k6k n ASP 278 Cb 0.33 -3.08 -0.06 0.00 -0.02 0.00 0.00 41.12 38.29 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 -2.43 3.56 0.78 -1.24 -1.94 -1.06 -4.78 119.30 112.20 3k6k s MET 279 Ca 0.00 -0.03 -0.07 0.00 -1.71 0.00 0.00 55.69 53.88 3k6k s MET 279 Cb 0.00 -3.17 0.12 0.00 2.01 0.00 0.00 34.83 33.79 3k6k s MET 279 CO 0.00 0.73 1.09 -1.25 -0.01 0.00 0.00 175.02 175.58 3k6k s PRO 280 N -1.24 1.62 -0.16 2.03 0.04 -1.26 -0.92 135.00 135.10 3k6k s PRO 280 Ca 0.20 -0.56 -0.41 0.00 0.04 0.00 0.00 61.00 60.27 3k6k s PRO 280 Cb -0.13 -2.13 -0.18 0.00 0.04 0.00 0.00 34.50 32.09 3k6k s PRO 280 CO 0.09 -1.62 1.40 1.58 0.04 0.00 0.00 177.00 178.49 3k6k n HIS 281 N -3.12 1.40 -4.20 0.56 -0.00 -1.26 -1.17 115.22 107.44 3k6k n HIS 281 Ca 0.12 0.88 -0.33 0.00 -0.00 0.00 0.00 57.72 58.39 3k6k n HIS 281 Cb 0.60 -2.26 -0.06 0.00 -0.00 0.00 0.00 29.99 28.28 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 2.97 -1.81 0.14 3.57 0.31 -1.26 -4.78 118.33 117.48 3k6k n VAL 282 Ca 0.24 -0.53 0.08 0.00 -0.01 0.00 0.00 64.34 64.11 3k6k n VAL 282 Cb 0.08 -1.61 0.42 0.00 -0.91 0.00 0.00 33.84 31.82 3k6k n VAL 282 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 3k6k n PHE 283 N -4.63 0.52 0.35 3.52 1.16 -0.32 -2.40 117.46 115.66 3k6k n PHE 283 Ca -0.28 0.27 0.13 0.00 -1.87 0.00 0.00 57.45 55.71 3k6k n PHE 283 Cb 0.67 -0.85 0.56 0.00 -1.61 0.00 0.00 39.48 38.25 3k6k n PHE 283 CO 0.00 0.00 0.00 1.96 -1.87 0.00 0.00 176.76 176.85 3k6k h GLN 284 N 0.00 0.00 0.00 3.97 7.50 -1.86 -2.09 115.11 122.62 3k6k h GLN 284 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3k6k h GLN 284 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.77 3k6k h GLN 284 CO 0.00 0.00 0.00 -1.33 -1.50 0.00 0.00 178.83 176.00 3k6k n MET 285 N -2.42 0.12 -1.34 1.46 2.81 -1.01 -4.03 117.12 112.72 3k6k n MET 285 Ca 0.01 0.42 -0.07 0.00 -1.81 0.00 0.00 57.70 56.25 3k6k n MET 285 Cb 0.22 -1.76 0.11 0.00 -0.71 0.00 0.00 33.22 31.08 3k6k n MET 285 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3k6k n TYR 286 N -2.00 1.24 -0.09 2.03 4.02 -0.79 -4.75 117.16 116.82 3k6k n TYR 286 Ca 0.02 -1.79 0.26 0.00 -0.01 0.00 0.00 57.90 56.38 3k6k n TYR 286 Cb 0.16 -0.28 0.67 0.00 -0.02 0.00 0.00 39.34 39.86 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 1.57 0.00 2.00 2.72 0.00 -1.75 -2.33 103.07 105.29 3k6k h GLY 287 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 3k6k h GLY 287 CO 0.34 0.00 -0.11 1.70 0.00 0.00 0.00 176.54 178.47 3k6k h LYS 288 N 0.00 0.00 0.00 4.80 3.64 -1.95 -3.32 116.57 119.74 3k6k h LYS 288 Ca 0.37 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.58 3k6k h LYS 288 Cb 1.89 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.68 3k6k h LYS 288 CO -0.00 0.11 -1.63 1.19 -2.27 0.00 0.00 179.45 176.85 3k6k n PHE 289 N -3.79 0.00 -4.70 1.91 3.01 -0.93 -4.82 117.46 108.14 3k6k n PHE 289 Ca -0.02 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.15 3k6k n PHE 289 Cb 0.21 -0.43 -0.17 0.00 -0.01 0.00 0.00 39.48 39.09 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 -2.22 1.58 0.53 -4.37 -7.23 -0.92 0.54 120.40 108.31 3k6k s VAL 290 Ca -0.13 -0.72 0.42 0.00 -1.81 0.00 0.00 61.98 59.74 3k6k s VAL 290 Cb 0.04 -1.42 0.43 0.00 0.56 0.00 0.00 36.38 35.99 3k6k s VAL 290 CO 0.27 0.46 2.28 -0.55 -0.31 0.00 0.00 175.10 177.25 3k6k h ASN 291 N 7.11 0.00 -0.53 4.85 -1.07 -1.83 -2.77 115.58 121.34 3k6k h ASN 291 Ca -0.28 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.07 3k6k h ASN 291 Cb 1.20 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.42 3k6k h ASN 291 CO 0.49 0.00 0.28 0.00 0.07 0.00 0.00 177.43 178.27 3k6k h ALA 292 N 2.00 1.45 -0.90 4.14 0.00 -1.95 -2.31 119.26 121.69 3k6k h ALA 292 Ca 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 54.93 3k6k h ALA 292 Cb 0.10 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.58 3k6k h ALA 292 CO 0.00 0.44 0.52 0.00 0.00 0.00 0.00 179.25 180.22 3k6k h ALA 293 N 1.54 1.34 0.00 0.00 0.00 -1.76 0.19 119.26 120.57 3k6k h ALA 293 Ca 0.20 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.96 3k6k h ALA 293 Cb 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3k6k h ALA 293 CO -0.03 0.08 -0.95 -0.44 0.00 0.00 0.00 179.25 177.90 3k6k h ASP 294 N 0.81 0.00 -0.20 0.00 3.45 -1.58 -1.57 116.42 117.33 3k6k h ASP 294 Ca 0.46 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.84 3k6k h ASP 294 Cb 0.52 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.29 3k6k h ASP 294 CO -0.29 0.90 -0.18 0.40 -1.57 0.00 0.00 179.24 178.50 3k6k h ILE 295 N 0.00 1.32 0.38 0.35 2.04 -1.01 -0.78 117.51 119.82 3k6k h ILE 295 Ca -0.03 -1.33 -0.02 0.00 1.00 0.00 0.00 64.86 64.49 3k6k h ILE 295 Cb 1.71 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.52 3k6k h ILE 295 CO 0.11 0.40 -0.20 -1.28 0.00 0.00 0.00 178.15 177.19 3k6k h SER 296 N 0.16 -0.49 -0.62 1.72 0.87 -0.61 -0.18 113.55 114.41 3k6k h SER 296 Ca 0.04 0.02 0.11 0.00 -1.23 0.00 0.00 61.79 60.72 3k6k h SER 296 Cb 0.72 0.13 -0.12 0.00 -0.44 0.00 0.00 62.40 62.69 3k6k h SER 296 CO 0.05 -0.33 -0.35 0.40 -0.53 0.00 0.00 176.83 176.06 3k6k h ILE 297 N -0.54 0.14 -0.75 2.23 2.04 -1.28 0.20 117.51 119.56 3k6k h ILE 297 Ca -0.05 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 3k6k h ILE 297 Cb 0.43 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 3k6k h ILE 297 CO 0.07 0.00 0.37 0.50 0.00 0.00 0.00 178.15 179.09 3k6k h LYS 298 N -0.16 1.06 -0.75 2.37 3.64 -0.98 -0.28 116.57 121.47 3k6k h LYS 298 Ca 0.23 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3k6k h LYS 298 Cb 0.56 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 3k6k h LYS 298 CO -0.71 0.81 0.44 0.93 -2.27 0.00 0.00 179.45 178.65 3k6k h GLU 299 N 1.06 1.03 -0.36 1.90 5.08 0.04 -0.54 114.58 122.80 3k6k h GLU 299 Ca 0.26 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 3k6k h GLU 299 Cb 0.08 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3k6k h GLU 299 CO -0.04 0.73 -0.04 0.82 -1.00 0.00 0.00 179.01 179.49 3k6k h ILE 300 N 1.04 1.27 -0.56 3.13 2.04 0.55 -2.55 117.51 122.44 3k6k h ILE 300 Ca 0.27 -1.07 -0.10 0.00 1.00 0.00 0.00 64.86 64.96 3k6k h ILE 300 Cb -0.01 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 3k6k h ILE 300 CO -0.05 0.35 -0.03 0.00 0.00 0.00 0.00 178.15 178.43 3k6k h HIS 302 N 0.90 1.22 -0.20 0.00 -0.00 -0.86 -2.49 115.15 113.71 3k6k h HIS 302 Ca 0.16 0.03 -0.16 0.00 -0.00 0.00 0.00 60.37 60.40 3k6k h HIS 302 Cb 0.56 -0.41 0.00 0.00 -0.00 0.00 0.00 27.41 27.57 3k6k h HIS 302 CO 0.04 0.72 -0.48 2.35 -0.00 0.00 0.00 177.93 180.55 3k6k h TRP 303 N 1.27 0.87 -0.85 5.26 7.01 -1.03 -1.20 115.95 127.27 3k6k h TRP 303 Ca 0.39 -0.33 0.09 0.00 2.11 0.00 0.00 58.89 61.15 3k6k h TRP 303 Cb -0.03 -0.15 -0.07 0.00 -2.10 0.00 0.00 29.16 26.80 3k6k h TRP 303 CO -0.00 1.11 0.49 0.82 -2.79 0.00 0.00 178.44 178.08 3k6k h ILE 304 N 0.37 0.92 0.00 2.65 2.04 -0.92 -2.85 117.51 119.73 3k6k h ILE 304 Ca -0.00 -0.29 -0.19 0.00 1.00 0.00 0.00 64.86 65.38 3k6k h ILE 304 Cb 1.09 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 3k6k h ILE 304 CO 0.11 0.15 -1.76 -1.54 0.00 0.00 0.00 178.15 175.11 3k6k n SER 305 N -4.72 0.50 -0.33 1.72 3.41 -0.96 -1.56 113.62 111.69 3k6k n SER 305 Ca 0.14 0.22 -0.04 0.00 -0.26 0.00 0.00 58.87 58.93 3k6k n SER 305 Cb 0.27 0.67 0.09 0.00 -0.26 0.00 0.00 64.21 64.98 3k6k n SER 305 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k6k h ALA 306 N 1.41 1.14 0.00 7.33 0.00 -1.09 -3.33 119.26 124.71 3k6k h ALA 306 Ca -0.23 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3k6k h ALA 306 Cb 1.66 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3k6k h ALA 306 CO 0.03 0.63 -1.44 2.89 0.00 0.00 0.00 179.25 181.37 3k6k n ARG 307 N -4.36 0.89 -1.68 0.00 1.85 -1.09 -4.36 116.66 107.92 3k6k n ARG 307 Ca 0.09 -0.10 -0.32 0.00 -1.00 0.00 0.00 57.85 56.52 3k6k n ARG 307 Cb 0.09 -1.33 -0.07 0.00 -1.05 0.00 0.00 32.46 30.09 3k6k n ARG 307 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 3k6k n ILE 308 N -1.85 1.56 -0.89 8.89 5.41 -0.60 -5.00 119.36 126.87 3k6k n ILE 308 Ca -0.01 -1.55 0.00 0.00 1.00 0.00 0.00 62.75 62.19 3k6k n ILE 308 Cb 0.36 -2.18 0.00 0.00 -0.71 0.00 0.00 39.64 37.12 3k6k n ILE 308 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35