#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1a s GLN 3 N 0.00 0.02 -0.26 1.43 -1.52 -1.26 -4.98 119.66 113.10 3k1a s GLN 3 Ca 0.00 0.12 -0.20 0.00 -1.95 0.00 0.00 55.36 53.33 3k1a s GLN 3 Cb 0.00 -0.08 -0.02 0.00 -0.22 0.00 0.00 33.01 32.69 3k1a s GLN 3 CO 0.00 -0.07 0.61 -0.65 -0.25 0.00 0.00 175.29 174.93 3k1a s GLN 4 N 0.45 4.10 0.50 2.91 -0.21 -1.26 -4.97 119.66 121.17 3k1a s GLN 4 Ca -0.04 0.50 0.18 0.00 0.02 0.00 0.00 55.36 56.03 3k1a s GLN 4 Cb -0.05 -3.65 1.24 0.00 1.00 0.00 0.00 33.01 31.54 3k1a s GLN 4 CO -0.01 -0.41 2.06 -0.24 -2.12 0.00 0.00 175.29 174.57 3k1a h VAL 5 N 5.41 0.90 -0.00 1.09 3.04 -2.01 -1.12 116.25 123.56 3k1a h VAL 5 Ca -0.27 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 3k1a h VAL 5 Cb 1.13 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 3k1a h VAL 5 CO 0.76 0.02 -0.31 0.47 -1.01 0.00 0.00 177.57 177.51 3k1a n ASP 6 N -4.47 0.57 -3.32 3.17 8.00 -1.26 -4.31 116.55 114.94 3k1a n ASP 6 Ca 0.04 -0.39 -0.25 0.00 0.71 0.00 0.00 54.79 54.91 3k1a n ASP 6 Cb 0.32 0.07 -0.09 0.00 -0.02 0.00 0.00 41.12 41.40 3k1a n ASP 6 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3k1a n LYS 7 N -1.18 0.23 -2.17 -1.24 2.85 -0.43 -5.12 118.16 111.10 3k1a n LYS 7 Ca 0.09 -3.05 -0.42 0.00 -1.05 0.00 0.00 58.31 53.88 3k1a n LYS 7 Cb 0.33 -1.64 -0.03 0.00 -0.65 0.00 0.00 35.03 33.04 3k1a n LYS 7 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3k1a s ILE 8 N 0.11 3.29 -0.23 0.58 -1.09 -1.19 -4.39 121.20 118.28 3k1a s ILE 8 Ca 0.33 0.94 -0.13 0.00 -2.23 0.00 0.00 60.65 59.56 3k1a s ILE 8 Cb 0.04 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.27 3k1a s ILE 8 CO -0.18 0.08 0.25 -0.54 -1.23 0.00 0.00 174.94 173.32 3k1a s LYS 9 N 0.97 4.10 1.08 2.79 1.02 -1.26 -5.07 119.74 123.36 3k1a s LYS 9 Ca 0.64 -0.10 -0.17 0.00 0.02 0.00 0.00 55.97 56.36 3k1a s LYS 9 Cb -0.37 -3.55 0.24 0.00 -0.52 0.00 0.00 37.83 33.63 3k1a s LYS 9 CO 0.31 -0.01 1.19 0.00 -0.92 0.00 0.00 175.35 175.92 3k1a s ALA 10 N 1.24 1.34 0.16 5.17 0.00 -1.26 -4.67 121.76 123.73 3k1a s ALA 10 Ca 0.12 -0.98 -0.17 0.00 0.00 0.00 0.00 51.96 50.93 3k1a s ALA 10 Cb -0.14 -2.87 0.10 0.00 0.00 0.00 0.00 23.12 20.21 3k1a s ALA 10 CO 0.06 -3.00 1.17 -1.13 0.00 0.00 0.00 175.76 172.86 3k1a n SER 11 N -4.27 -0.61 -4.71 0.00 3.41 -1.26 -1.71 113.62 104.47 3k1a n SER 11 Ca 0.13 1.33 -0.37 0.00 -0.26 0.00 0.00 58.87 59.71 3k1a n SER 11 Cb 0.59 -0.26 -0.07 0.00 -0.26 0.00 0.00 64.21 64.21 3k1a n SER 11 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3k1a s TYR 12 N -5.59 3.43 -1.10 7.33 5.04 -1.26 -1.19 117.35 124.00 3k1a s TYR 12 Ca -0.10 0.57 0.13 0.00 -2.44 0.00 0.00 57.07 55.24 3k1a s TYR 12 Cb 0.13 -2.37 0.57 0.00 0.35 0.00 0.00 41.96 40.64 3k1a s TYR 12 CO 0.52 0.18 1.43 -0.35 -1.34 0.00 0.00 175.55 175.99 3k1a n PRO 13 N 3.78 3.25 -0.22 4.97 -0.04 -1.16 -5.00 135.00 140.57 3k1a n PRO 13 Ca -0.11 -2.23 -0.01 0.00 -0.04 0.00 0.00 63.50 61.11 3k1a n PRO 13 Cb 0.52 -1.81 0.06 0.00 -0.04 0.00 0.00 33.50 32.23 3k1a n PRO 13 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3k1a h LEU 14 N 3.14 -0.70 0.00 1.53 5.85 -0.26 -1.04 115.31 123.83 3k1a h LEU 14 Ca 0.00 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3k1a h LEU 14 Cb 1.25 0.44 0.00 0.00 0.37 0.00 0.00 40.66 42.72 3k1a h LEU 14 CO 0.21 -0.24 0.00 0.49 -0.34 0.00 0.00 178.44 178.57 3k1a n PHE 15 N -5.45 0.00 0.71 1.25 3.72 -0.76 -1.67 117.46 115.25 3k1a n PHE 15 Ca 0.08 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.60 3k1a n PHE 15 Cb 0.35 0.00 0.30 0.00 -0.94 0.00 0.00 39.48 39.18 3k1a n PHE 15 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3k1a n LEU 16 N -0.77 0.61 -4.66 4.37 4.77 -0.39 -4.15 117.00 116.78 3k1a n LEU 16 Ca 0.12 0.31 -0.40 0.00 -0.03 0.00 0.00 56.01 56.01 3k1a n LEU 16 Cb 0.06 -0.27 0.03 0.00 -2.33 0.00 0.00 43.42 40.91 3k1a n LEU 16 CO 0.09 -0.05 0.73 0.47 -1.33 0.00 0.00 177.39 177.31 3k1a n ASP 17 N -1.97 1.79 -0.13 -1.43 8.00 -0.67 -4.71 116.55 117.41 3k1a n ASP 17 Ca 0.05 1.00 -0.04 0.00 0.71 0.00 0.00 54.79 56.50 3k1a n ASP 17 Cb 0.41 -1.44 0.04 0.00 -0.02 0.00 0.00 41.12 40.11 3k1a n ASP 17 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 3k1a h GLN 18 N 1.47 0.25 -0.48 -1.24 5.75 -1.91 0.70 115.11 119.65 3k1a h GLN 18 Ca -0.47 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 57.96 3k1a h GLN 18 Cb 1.32 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.79 3k1a h GLN 18 CO 0.56 0.17 0.10 0.38 -2.65 0.00 0.00 178.83 177.40 3k1a h ASP 19 N 0.26 0.68 -0.37 -0.69 2.03 -1.97 0.42 116.42 116.78 3k1a h ASP 19 Ca 0.21 -0.12 -0.15 0.00 -0.73 0.00 0.00 57.03 56.24 3k1a h ASP 19 Cb 0.24 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 38.56 3k1a h ASP 19 CO -0.25 0.68 -0.36 1.88 -1.03 0.00 0.00 179.24 180.16 3k1a h TYR 20 N 0.70 1.07 -0.12 4.15 0.05 -1.76 -1.43 116.97 119.64 3k1a h TYR 20 Ca 0.16 -0.32 -0.00 0.00 0.05 0.00 0.00 58.73 58.61 3k1a h TYR 20 Cb 0.28 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 3k1a h TYR 20 CO 0.01 1.14 0.07 -0.22 -1.05 0.00 0.00 178.16 178.11 3k1a h LYS 21 N 0.70 0.16 -0.70 4.88 3.64 0.05 -0.48 116.57 124.83 3k1a h LYS 21 Ca 0.06 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 3k1a h LYS 21 Cb 0.95 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.71 3k1a h LYS 21 CO 0.09 0.16 0.31 -0.44 -2.27 0.00 0.00 179.45 177.30 3k1a h ASP 22 N 0.11 0.92 -0.58 4.20 3.32 -0.24 -1.76 116.42 122.39 3k1a h ASP 22 Ca 0.04 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 3k1a h ASP 22 Cb 0.04 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3k1a h ASP 22 CO -0.01 0.80 0.21 -0.03 -1.72 0.00 0.00 179.24 178.49 3k1a h MET 23 N 1.00 0.87 0.00 3.56 4.05 -0.88 -1.98 114.93 121.55 3k1a h MET 23 Ca 0.24 -0.17 -0.11 0.00 -0.28 0.00 0.00 59.70 59.38 3k1a h MET 23 Cb 0.14 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.79 3k1a h MET 23 CO -0.03 0.77 -0.51 -0.07 0.23 0.00 0.00 176.91 177.30 3k1a h LEU 24 N 0.80 0.00 -0.56 3.39 3.38 -0.85 -0.85 115.31 120.61 3k1a h LEU 24 Ca 0.19 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.02 3k1a h LEU 24 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3k1a h LEU 24 CO -0.01 0.51 -0.35 0.00 0.09 0.00 0.00 178.44 178.69 3k1a h ALA 25 N 1.49 0.75 -0.25 1.53 0.00 -1.22 -2.74 119.26 118.80 3k1a h ALA 25 Ca -0.01 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 3k1a h ALA 25 Cb 1.16 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3k1a h ALA 25 CO 0.07 0.66 -0.20 -0.22 0.00 0.00 0.00 179.25 179.55 3k1a h LYS 26 N 0.65 0.58 -0.53 0.00 3.64 -1.01 -1.66 116.57 118.24 3k1a h LYS 26 Ca 0.06 -0.29 0.05 0.00 -1.27 0.00 0.00 60.65 59.21 3k1a h LYS 26 Cb 0.89 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.66 3k1a h LYS 26 CO 0.08 0.88 0.25 -0.22 -2.27 0.00 0.00 179.45 178.17 3k1a h LYS 27 N 0.30 0.47 0.53 1.90 3.64 -1.22 -0.88 116.57 121.31 3k1a h LYS 27 Ca 0.05 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3k1a h LYS 27 Cb 0.75 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.46 3k1a h LYS 27 CO 0.05 0.31 -0.25 -0.09 -2.27 0.00 0.00 179.45 177.20 3k1a h ARG 28 N 0.49 -0.68 -0.46 1.90 2.43 -1.41 -2.33 114.38 114.31 3k1a h ARG 28 Ca 0.24 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.44 3k1a h ARG 28 Cb 0.17 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3k1a h ARG 28 CO -0.18 -0.38 0.22 -0.44 -1.51 0.00 0.00 179.97 177.67 3k1a h ASP 29 N -0.95 0.57 0.13 -3.80 3.32 -1.29 -2.63 116.42 111.76 3k1a h ASP 29 Ca -0.07 -0.05 -0.30 0.00 0.02 0.00 0.00 57.03 56.63 3k1a h ASP 29 Cb 0.62 -0.14 0.03 0.00 0.22 0.00 0.00 39.33 40.06 3k1a h ASP 29 CO 0.12 0.49 -1.25 1.23 -1.72 0.00 0.00 179.24 178.11 3k1a h GLY 30 N 0.75 0.71 0.00 2.75 0.00 -1.17 -3.45 103.07 102.67 3k1a h GLY 30 Ca 0.16 -1.48 0.00 0.00 0.00 0.00 0.00 47.33 46.01 3k1a h GLY 30 CO -0.02 1.30 -0.02 0.69 0.00 0.00 0.00 176.54 178.49 3k1a n PHE 31 N -3.79 0.00 0.16 5.60 3.72 -0.88 -4.86 117.46 117.41 3k1a n PHE 31 Ca -0.14 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.38 3k1a n PHE 31 Cb 0.99 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.60 3k1a n PHE 31 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3k1a h GLU 32 N 0.00 0.00 -6.34 -1.08 5.08 -1.50 -3.48 114.58 107.27 3k1a h GLU 32 Ca 0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.90 3k1a h GLU 32 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 3k1a h GLU 32 CO 0.00 0.00 -0.89 0.39 -1.00 0.00 0.00 179.01 177.51 3k1a n GLU 33 N -2.84 -3.08 -3.09 2.33 1.02 -1.25 -4.90 120.64 108.82 3k1a n GLU 33 Ca 0.02 0.46 -0.34 0.00 -0.02 0.00 0.00 57.16 57.28 3k1a n GLU 33 Cb 0.54 -4.56 -0.06 0.00 -0.02 0.00 0.00 31.44 27.34 3k1a n GLU 33 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3k1a s LYS 34 N -6.27 4.16 0.49 3.49 2.20 -1.26 -5.02 119.74 117.52 3k1a s LYS 34 Ca 0.13 0.81 -0.24 0.00 -0.36 0.00 0.00 55.97 56.31 3k1a s LYS 34 Cb -0.05 -2.66 -0.07 0.00 -1.51 0.00 0.00 37.83 33.55 3k1a s LYS 34 CO 0.86 0.27 1.35 0.71 -0.36 0.00 0.00 175.35 178.19 3k1a s TYR 35 N -1.75 2.48 0.56 4.03 2.02 -1.26 -4.95 117.35 118.49 3k1a s TYR 35 Ca 0.49 1.36 -0.21 0.00 -0.37 0.00 0.00 57.07 58.34 3k1a s TYR 35 Cb -0.14 -3.78 -0.05 0.00 -0.40 0.00 0.00 41.96 37.60 3k1a s TYR 35 CO 0.19 -2.66 1.28 -0.35 -1.57 0.00 0.00 175.55 172.44 3k1a n PRO 36 N -0.53 1.48 -0.35 -1.71 -0.04 -1.26 -4.80 135.00 127.79 3k1a n PRO 36 Ca 0.07 0.55 0.05 0.00 -0.04 0.00 0.00 63.50 64.13 3k1a n PRO 36 Cb 0.44 -2.49 0.21 0.00 -0.04 0.00 0.00 33.50 31.62 3k1a n PRO 36 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3k1a h GLN 37 N 1.17 0.97 -0.76 0.54 5.75 -1.99 -1.02 115.11 119.77 3k1a h GLN 37 Ca -0.50 -0.06 0.09 0.00 -0.15 0.00 0.00 58.65 58.03 3k1a h GLN 37 Cb 1.32 -0.22 -0.07 0.00 1.07 0.00 0.00 27.48 29.58 3k1a h GLN 37 CO 0.56 0.64 0.40 0.38 -2.65 0.00 0.00 178.83 178.16 3k1a h ASP 38 N 1.00 0.55 -0.34 -0.69 2.03 -1.99 0.18 116.42 117.16 3k1a h ASP 38 Ca 0.46 0.06 -0.11 0.00 -0.73 0.00 0.00 57.03 56.71 3k1a h ASP 38 Cb 0.38 -0.04 -0.02 0.00 -0.83 0.00 0.00 39.33 38.82 3k1a h ASP 38 CO -0.24 0.31 -0.19 0.50 -1.03 0.00 0.00 179.24 178.60 3k1a h LYS 39 N 0.68 0.81 -0.48 4.15 1.63 -1.58 -1.96 116.57 119.82 3k1a h LYS 39 Ca 0.37 -0.31 -0.04 0.00 -0.85 0.00 0.00 60.65 59.81 3k1a h LYS 39 Cb 0.37 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.93 3k1a h LYS 39 CO -0.26 0.93 0.13 0.82 -3.45 0.00 0.00 179.45 177.62 3k1a h ILE 40 N 0.71 1.23 -0.30 2.00 2.04 -0.36 -1.82 117.51 121.01 3k1a h ILE 40 Ca 0.10 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.17 3k1a h ILE 40 Cb 0.70 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3k1a h ILE 40 CO 0.05 0.29 0.19 0.44 0.00 0.00 0.00 178.15 179.12 3k1a h ASP 41 N 0.64 0.33 -0.39 1.72 3.32 -0.60 -1.30 116.42 120.14 3k1a h ASP 41 Ca 0.15 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.26 3k1a h ASP 41 Cb 0.30 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.72 3k1a h ASP 41 CO -0.00 0.24 0.06 -0.08 -1.72 0.00 0.00 179.24 177.74 3k1a h GLU 42 N 0.39 0.18 -0.38 3.56 4.81 -1.16 -0.26 114.58 121.73 3k1a h GLU 42 Ca 0.11 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 3k1a h GLU 42 Cb -0.04 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3k1a h GLU 42 CO -0.03 0.12 -0.25 0.28 -0.73 0.00 0.00 179.01 178.40 3k1a h VAL 43 N 0.18 1.28 -0.13 0.32 2.07 -1.21 -1.85 116.25 116.92 3k1a h VAL 43 Ca 0.19 -1.40 0.03 0.00 0.82 0.00 0.00 66.70 66.33 3k1a h VAL 43 Cb 0.23 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 3k1a h VAL 43 CO -0.26 0.47 -0.06 0.15 0.02 0.00 0.00 177.57 177.88 3k1a h PHE 44 N 0.63 -0.14 -0.96 1.57 3.57 -0.99 0.14 116.94 120.76 3k1a h PHE 44 Ca 0.07 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.63 3k1a h PHE 44 Cb 0.82 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.58 3k1a h PHE 44 CO 0.06 -0.10 0.62 0.37 -2.23 0.00 0.00 178.31 177.04 3k1a h GLN 45 N -0.05 1.15 -0.72 1.11 5.75 -0.97 -0.76 115.11 120.62 3k1a h GLN 45 Ca 0.07 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3k1a h GLN 45 Cb 0.16 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 3k1a h GLN 45 CO -0.16 0.76 0.41 2.35 -2.65 0.00 0.00 178.83 179.54 3k1a h TRP 46 N 1.19 0.96 0.00 3.99 7.01 -0.80 -2.36 115.95 125.94 3k1a h TRP 46 Ca 0.39 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.38 3k1a h TRP 46 Cb 0.05 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 26.79 3k1a h TRP 46 CO -0.01 0.66 0.00 1.79 -2.79 0.00 0.00 178.44 178.09 3k1a h THR 47 N 1.00 0.00 -0.01 2.65 1.35 0.56 -2.32 112.91 116.14 3k1a h THR 47 Ca 0.26 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 3k1a h THR 47 Cb -0.00 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 3k1a h THR 47 CO -0.04 0.00 -0.24 0.35 -0.25 0.00 0.00 175.52 175.34 3k1a n THR 48 N -2.77 0.00 -2.52 6.82 -2.24 -0.89 -4.82 114.28 107.86 3k1a n THR 48 Ca -0.00 -0.11 -0.27 0.00 -2.27 0.00 0.00 64.05 61.40 3k1a n THR 48 Cb 0.18 0.31 0.02 0.00 -2.10 0.00 0.00 70.33 68.74 3k1a n THR 48 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3k1a s THR 49 N -2.51 4.13 0.19 4.28 -4.23 -0.87 -4.32 115.64 112.31 3k1a s THR 49 Ca 0.25 0.04 0.27 0.00 -1.18 0.00 0.00 61.69 61.06 3k1a s THR 49 Cb 0.19 -3.60 0.28 0.00 1.34 0.00 0.00 72.50 70.70 3k1a s THR 49 CO 0.52 -0.60 1.91 0.07 -0.54 0.00 0.00 174.62 175.98 3k1a h LYS 50 N 0.01 0.00 0.19 3.99 2.10 -1.94 -2.58 116.57 118.34 3k1a h LYS 50 Ca -0.46 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.18 3k1a h LYS 50 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3k1a h LYS 50 CO 0.61 0.16 -0.09 0.93 -2.00 0.00 0.00 179.45 179.06 3k1a h GLU 51 N 0.00 -0.24 -0.95 0.07 4.39 -1.94 -2.51 114.58 113.40 3k1a h GLU 51 Ca -0.00 0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.82 3k1a h GLU 51 Cb 0.62 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.25 3k1a h GLU 51 CO 0.02 0.09 0.61 -0.92 -1.16 0.00 0.00 179.01 177.65 3k1a h TYR 52 N -0.60 1.05 -0.69 4.33 3.20 -1.74 -2.41 116.97 120.11 3k1a h TYR 52 Ca -0.03 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 3k1a h TYR 52 Cb 0.44 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 3k1a h TYR 52 CO 0.03 0.46 0.21 0.37 -1.64 0.00 0.00 178.16 177.60 3k1a h GLN 53 N 0.96 1.06 -0.65 1.82 4.15 -1.35 0.37 115.11 121.47 3k1a h GLN 53 Ca 0.45 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.64 3k1a h GLN 53 Cb 0.43 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 3k1a h GLN 53 CO -0.21 0.91 0.35 0.93 -1.93 0.00 0.00 178.83 178.88 3k1a h GLU 54 N 1.02 0.92 -0.37 1.69 5.08 -0.98 0.30 114.58 122.23 3k1a h GLU 54 Ca 0.22 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 3k1a h GLU 54 Cb 0.29 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3k1a h GLU 54 CO -0.01 0.70 0.00 -0.07 -1.00 0.00 0.00 179.01 178.63 3k1a h LEU 55 N 0.89 0.65 -0.64 1.33 3.38 -1.28 -2.38 115.31 117.26 3k1a h LEU 55 Ca 0.23 -0.31 0.08 0.00 0.09 0.00 0.00 57.88 57.97 3k1a h LEU 55 Cb 0.05 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 3k1a h LEU 55 CO -0.04 0.79 0.31 -1.13 0.09 0.00 0.00 178.44 178.47 3k1a h ASN 56 N 0.48 0.40 1.26 -0.43 -1.24 0.26 -2.46 115.58 113.86 3k1a h ASN 56 Ca 0.11 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.17 3k1a h ASN 56 Cb 0.46 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.50 3k1a h ASN 56 CO 0.02 0.25 -0.06 0.49 -1.29 0.00 0.00 177.43 176.83 3k1a n PHE 57 N -4.89 0.60 0.77 0.67 3.01 0.10 -3.10 117.46 114.63 3k1a n PHE 57 Ca 0.09 0.17 0.12 0.00 1.01 0.00 0.00 57.45 58.85 3k1a n PHE 57 Cb 0.23 -0.77 0.50 0.00 -0.01 0.00 0.00 39.48 39.44 3k1a n PHE 57 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3k1a n GLN 58 N -2.00 0.07 -1.66 -1.08 6.02 -0.90 -4.88 117.38 112.94 3k1a n GLN 58 Ca 0.06 0.13 -0.46 0.00 -0.01 0.00 0.00 57.00 56.72 3k1a n GLN 58 Cb 0.40 -1.59 -0.04 0.00 1.02 0.00 0.00 30.24 30.03 3k1a n GLN 58 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3k1a n ARG 59 N -1.71 2.03 0.00 -1.09 1.74 -1.18 -4.91 116.66 111.54 3k1a n ARG 59 Ca 0.06 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.86 3k1a n ARG 59 Cb 0.31 -2.43 0.00 0.00 -1.02 0.00 0.00 32.46 29.32 3k1a n ARG 59 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3k1a n GLU 60 N 2.69 4.13 -0.05 5.56 0.28 -1.26 -4.91 120.64 127.08 3k1a n GLU 60 Ca 0.14 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.07 3k1a n GLU 60 Cb 0.29 -0.36 -0.04 0.00 1.43 0.00 0.00 31.44 32.77 3k1a n GLU 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3k1a n ALA 61 N -0.65 2.05 -2.64 -1.84 0.00 -1.26 -5.02 120.51 111.15 3k1a n ALA 61 Ca 0.00 -0.38 -0.40 0.00 0.00 0.00 0.00 53.44 52.66 3k1a n ALA 61 Cb 0.00 0.33 -0.05 0.00 0.00 0.00 0.00 19.45 19.73 3k1a n ALA 61 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3k1a s LEU 62 N -5.93 4.35 -0.12 0.00 2.96 -1.26 -5.07 118.68 113.61 3k1a s LEU 62 Ca -0.13 1.27 -0.00 0.00 -0.22 0.00 0.00 54.13 55.05 3k1a s LEU 62 Cb 0.04 -3.13 -0.02 0.00 0.50 0.00 0.00 46.19 43.58 3k1a s LEU 62 CO 0.19 -0.08 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.13 3k1a s THR 63 N 0.57 3.14 -0.12 3.68 2.01 -1.26 -4.97 115.64 118.69 3k1a s THR 63 Ca 0.38 -0.64 -0.00 0.00 0.31 0.00 0.00 61.69 61.74 3k1a s THR 63 Cb -0.18 -2.32 0.03 0.00 0.01 0.00 0.00 72.50 70.04 3k1a s THR 63 CO 0.20 0.53 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.88 3k1a s VAL 64 N 0.24 1.10 -0.94 3.82 1.01 -1.26 -4.83 120.40 119.53 3k1a s VAL 64 Ca -0.08 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 3k1a s VAL 64 Cb -0.15 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 3k1a s VAL 64 CO 0.05 0.35 0.81 0.59 0.00 0.00 0.00 175.10 176.90 3k1a n ASN 65 N 4.92 -6.80 -4.75 3.32 3.02 -1.26 -2.85 115.26 110.86 3k1a n ASN 65 Ca -0.13 -0.54 -0.36 0.00 -0.03 0.00 0.00 54.58 53.52 3k1a n ASN 65 Cb 0.50 -4.82 0.05 0.00 -0.61 0.00 0.00 39.78 34.89 3k1a n ASN 65 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3k1a s PRO 66 N -4.15 2.82 -0.74 3.52 0.04 -1.26 -0.92 135.00 134.31 3k1a s PRO 66 Ca 0.28 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.23 3k1a s PRO 66 Cb -0.05 -1.90 0.37 0.00 0.04 0.00 0.00 34.50 32.96 3k1a s PRO 66 CO 0.77 -1.35 1.76 0.00 0.04 0.00 0.00 177.00 178.23 3k1a n ALA 67 N -1.70 6.10 -3.48 8.56 0.00 -1.26 -4.79 120.51 123.95 3k1a n ALA 67 Ca 0.14 -4.20 -0.10 0.00 0.00 0.00 0.00 53.44 49.29 3k1a n ALA 67 Cb 0.49 -1.59 -0.02 0.00 0.00 0.00 0.00 19.45 18.33 3k1a n ALA 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3k1a s LYS 68 N -3.93 0.97 0.21 0.00 -2.85 -1.26 -4.50 119.74 108.38 3k1a s LYS 68 Ca 0.51 -0.35 0.00 0.00 -1.00 0.00 0.00 55.97 55.13 3k1a s LYS 68 Cb 0.42 0.45 -0.00 0.00 -2.06 0.00 0.00 37.83 36.64 3k1a s LYS 68 CO -0.35 -0.42 0.01 0.00 0.10 0.00 0.00 175.35 174.69 3k1a n ALA 69 N -0.28 0.20 -2.85 0.59 0.00 -1.26 -5.02 120.51 111.88 3k1a n ALA 69 Ca -0.11 -0.97 -0.22 0.00 0.00 0.00 0.00 53.44 52.13 3k1a n ALA 69 Cb 0.63 0.55 -0.04 0.00 0.00 0.00 0.00 19.45 20.59 3k1a n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1a h GLN 71 N 1.54 -0.23 -0.06 0.00 4.20 -1.82 -1.63 115.11 117.12 3k1a h GLN 71 Ca -0.49 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.25 3k1a h GLN 71 Cb 1.23 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.06 3k1a h GLN 71 CO 0.61 -0.15 0.30 -1.00 -0.67 0.00 0.00 178.83 177.92 3k1a h PRO 72 N -0.23 0.00 -0.03 1.46 0.13 -1.81 0.91 132.00 132.42 3k1a h PRO 72 Ca 0.14 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.29 3k1a h PRO 72 Cb 0.54 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 3k1a h PRO 72 CO -0.72 0.00 -0.09 1.25 -0.23 0.00 0.00 178.00 178.21 3k1a h LEU 73 N 0.00 -0.25 -0.88 1.56 5.85 -1.60 -2.03 115.31 117.97 3k1a h LEU 73 Ca 0.03 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 3k1a h LEU 73 Cb 0.62 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 3k1a h LEU 73 CO -0.00 -0.12 -0.18 1.23 -0.34 0.00 0.00 178.44 179.02 3k1a h GLY 74 N -0.13 0.67 1.03 3.75 0.00 -0.72 -2.56 103.07 105.11 3k1a h GLY 74 Ca 0.05 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 3k1a h GLY 74 CO -0.11 0.48 0.39 0.00 0.00 0.00 0.00 176.54 177.30 3k1a h ALA 75 N 1.24 1.05 0.20 3.60 0.00 -1.39 -0.10 119.26 123.85 3k1a h ALA 75 Ca 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3k1a h ALA 75 Cb 0.63 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3k1a h ALA 75 CO 0.04 0.61 -0.09 0.28 0.00 0.00 0.00 179.25 180.09 3k1a h VAL 76 N 1.15 0.87 -0.87 0.00 2.07 -1.24 0.23 116.25 118.46 3k1a h VAL 76 Ca 0.28 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.50 3k1a h VAL 76 Cb 0.13 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 3k1a h VAL 76 CO -0.03 0.08 0.55 0.25 0.02 0.00 0.00 177.57 178.44 3k1a h LEU 77 N -0.43 0.90 -0.59 2.57 5.85 -1.33 0.87 115.31 123.15 3k1a h LEU 77 Ca -0.03 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3k1a h LEU 77 Cb 0.33 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3k1a h LEU 77 CO 0.04 0.60 0.35 0.00 -0.34 0.00 0.00 178.44 179.09 3k1a h ALA 79 N 1.17 1.11 0.00 0.00 0.00 0.30 -2.72 119.26 119.13 3k1a h ALA 79 Ca 0.21 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3k1a h ALA 79 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3k1a h ALA 79 CO -0.04 0.56 -0.01 -0.07 0.00 0.00 0.00 179.25 179.69 3k1a h LEU 80 N 0.71 0.00 0.00 0.00 3.38 -0.81 -2.97 115.31 115.62 3k1a h LEU 80 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3k1a h LEU 80 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3k1a h LEU 80 CO 0.02 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.18 3k1a n GLY 81 N -0.96 -0.96 3.69 0.83 0.00 -1.02 -4.54 105.19 102.22 3k1a n GLY 81 Ca -0.02 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 3k1a n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k1a s PHE 82 N -2.00 2.97 0.10 1.61 0.40 -1.13 -0.36 117.98 119.57 3k1a s PHE 82 Ca 0.37 -0.04 -0.31 0.00 -0.60 0.00 0.00 56.93 56.34 3k1a s PHE 82 Cb 0.17 -1.51 -0.09 0.00 0.51 0.00 0.00 43.02 42.09 3k1a s PHE 82 CO 0.28 0.49 1.72 -2.00 0.70 0.00 0.00 175.22 176.41 3k1a s GLU 83 N -2.43 4.17 -1.73 0.44 2.12 0.00 -2.80 118.70 118.46 3k1a s GLU 83 Ca 0.26 2.44 -0.15 0.00 0.36 0.00 0.00 54.97 57.88 3k1a s GLU 83 Cb -0.11 -3.57 0.15 0.00 0.26 0.00 0.00 34.13 30.86 3k1a s GLU 83 CO 0.18 -0.77 0.48 1.63 -0.54 0.00 0.00 175.26 176.25 3k1a n LYS 84 N 5.53 -1.49 -3.80 4.30 5.02 -1.26 -4.58 118.16 121.88 3k1a n LYS 84 Ca 0.16 0.20 -0.37 0.00 -2.02 0.00 0.00 58.31 56.29 3k1a n LYS 84 Cb 0.39 -4.51 -0.06 0.00 -0.02 0.00 0.00 35.03 30.83 3k1a n LYS 84 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3k1a s THR 85 N -3.58 5.44 -0.35 -0.18 2.01 -1.12 -0.30 115.64 117.55 3k1a s THR 85 Ca 0.55 0.28 -0.10 0.00 0.31 0.00 0.00 61.69 62.74 3k1a s THR 85 Cb -0.32 -3.45 0.02 0.00 0.01 0.00 0.00 72.50 68.76 3k1a s THR 85 CO 0.99 0.57 0.17 -0.32 -0.69 0.00 0.00 174.62 175.34 3k1a s MET 86 N -0.70 2.94 0.42 4.92 1.75 0.05 -4.79 119.30 123.87 3k1a s MET 86 Ca 0.15 -0.99 -0.26 0.00 -1.25 0.00 0.00 55.69 53.33 3k1a s MET 86 Cb -0.12 -3.64 -0.09 0.00 2.84 0.00 0.00 34.83 33.82 3k1a s MET 86 CO 0.04 -0.61 1.40 -1.25 -0.65 0.00 0.00 175.02 173.95 3k1a s PRO 87 N 1.55 3.89 -0.17 4.11 0.04 -1.26 -1.81 135.00 141.34 3k1a s PRO 87 Ca 0.02 2.38 -0.04 0.00 0.04 0.00 0.00 61.00 63.40 3k1a s PRO 87 Cb -0.19 -2.78 0.08 0.00 0.04 0.00 0.00 34.50 31.65 3k1a s PRO 87 CO 0.06 -0.63 0.18 -0.47 0.04 0.00 0.00 177.00 176.17 3k1a s TYR 88 N -1.19 -0.14 -0.38 0.56 6.14 -0.41 -1.69 117.35 120.22 3k1a s TYR 88 Ca 0.57 0.16 -0.14 0.00 0.64 0.00 0.00 57.07 58.30 3k1a s TYR 88 Cb -0.43 -0.42 0.01 0.00 0.42 0.00 0.00 41.96 41.54 3k1a s TYR 88 CO 0.56 -0.52 0.27 0.08 0.64 0.00 0.00 175.55 176.58 3k1a s VAL 89 N 2.28 5.20 -0.30 3.14 1.01 -0.56 -0.43 120.40 130.74 3k1a s VAL 89 Ca 0.05 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 3k1a s VAL 89 Cb -0.15 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.41 3k1a s VAL 89 CO -0.10 -0.20 1.28 -2.28 0.00 0.00 0.00 175.10 173.80 3k1a s HIS 90 N 1.68 2.73 -3.94 5.22 2.46 0.13 -3.57 115.29 119.99 3k1a s HIS 90 Ca 0.05 0.90 0.00 0.00 0.47 0.00 0.00 55.06 56.48 3k1a s HIS 90 Cb -0.18 -3.88 0.00 0.00 -0.13 0.00 0.00 32.58 28.39 3k1a s HIS 90 CO 0.10 -1.64 0.00 0.41 -2.47 0.00 0.00 174.74 171.14 3k1a n GLY 91 N 4.25 0.10 3.83 1.59 0.00 -1.26 -1.94 105.19 111.76 3k1a n GLY 91 Ca 0.14 -1.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 3k1a n GLY 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k1a s SER 92 N -4.00 6.93 0.27 1.61 1.04 -1.26 -1.09 113.70 117.20 3k1a s SER 92 Ca 0.00 1.47 0.14 0.00 0.48 0.00 0.00 55.95 58.04 3k1a s SER 92 Cb 0.00 -2.45 0.20 0.00 0.10 0.00 0.00 66.02 63.87 3k1a s SER 92 CO 0.00 -0.18 1.50 0.06 0.98 0.00 0.00 173.24 175.60 3k1a h GLN 93 N 2.50 0.00 -0.91 4.02 3.07 -1.91 -3.27 115.11 118.61 3k1a h GLN 93 Ca -0.48 0.00 0.13 0.00 0.09 0.00 0.00 58.65 58.39 3k1a h GLN 93 Cb 1.18 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.67 3k1a h GLN 93 CO 0.64 0.58 0.59 0.78 0.09 0.00 0.00 178.83 181.51 3k1a h GLY 94 N 2.89 1.32 0.42 0.06 0.00 -1.97 -1.34 103.07 104.44 3k1a h GLY 94 Ca -0.01 -0.34 0.08 0.00 0.00 0.00 0.00 47.33 47.06 3k1a h GLY 94 CO 0.08 0.12 0.11 0.00 0.00 0.00 0.00 176.54 176.85 3k1a h VAL 96 N 0.25 1.31 -0.52 0.00 2.07 -1.45 0.35 116.25 118.27 3k1a h VAL 96 Ca 0.24 -1.71 0.07 0.00 0.82 0.00 0.00 66.70 66.12 3k1a h VAL 96 Cb 0.30 1.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 3k1a h VAL 96 CO -0.30 0.54 0.18 0.00 0.02 0.00 0.00 177.57 178.01 3k1a h ALA 97 N 0.99 0.64 -0.41 1.67 0.00 -1.32 -1.65 119.26 119.17 3k1a h ALA 97 Ca 0.02 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 3k1a h ALA 97 Cb 1.03 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3k1a h ALA 97 CO 0.10 -0.22 -0.31 1.88 0.00 0.00 0.00 179.25 180.70 3k1a h TYR 98 N 0.35 1.10 -0.03 0.00 0.05 -1.00 -1.92 116.97 115.52 3k1a h TYR 98 Ca 0.25 -0.31 -0.00 0.00 0.05 0.00 0.00 58.73 58.73 3k1a h TYR 98 Cb 0.29 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 37.79 3k1a h TYR 98 CO -0.17 1.12 0.02 0.74 -1.05 0.00 0.00 178.16 178.82 3k1a h PHE 99 N 0.75 0.04 -0.24 4.88 0.04 -0.76 -0.79 116.94 120.87 3k1a h PHE 99 Ca 0.08 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 3k1a h PHE 99 Cb 0.90 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.02 3k1a h PHE 99 CO 0.06 0.12 0.14 0.00 -0.60 0.00 0.00 178.31 178.03 3k1a h ARG 100 N -0.05 0.33 -0.90 1.51 3.08 -1.34 -2.66 114.38 114.35 3k1a h ARG 100 Ca 0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3k1a h ARG 100 Cb 0.09 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 3k1a h ARG 100 CO -0.00 0.28 0.57 0.77 -1.07 0.00 0.00 179.97 180.52 3k1a h SER 101 N 0.29 1.06 0.03 7.04 0.02 -1.26 0.25 113.55 120.98 3k1a h SER 101 Ca 0.09 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3k1a h SER 101 Cb 0.04 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.31 3k1a h SER 101 CO -0.01 0.79 -0.02 0.22 -1.14 0.00 0.00 176.83 176.67 3k1a h TYR 102 N 1.23 -0.04 -0.37 3.45 3.20 -0.97 -1.65 116.97 121.82 3k1a h TYR 102 Ca 0.33 -0.00 -0.17 0.00 3.14 0.00 0.00 58.73 62.03 3k1a h TYR 102 Cb -0.10 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.18 3k1a h TYR 102 CO 0.00 0.07 -0.41 0.74 -1.64 0.00 0.00 178.16 176.92 3k1a h PHE 103 N -0.14 1.13 -0.54 -3.82 0.04 -1.28 -2.64 116.94 109.69 3k1a h PHE 103 Ca -0.00 -0.35 0.09 0.00 2.80 0.00 0.00 57.97 60.50 3k1a h PHE 103 Cb 0.13 -0.23 -0.10 0.00 2.20 0.00 0.00 35.95 37.94 3k1a h PHE 103 CO -0.04 1.18 -0.41 -0.91 -0.60 0.00 0.00 178.31 177.53 3k1a h ASN 104 N 0.75 -1.40 -0.34 2.17 2.35 -0.40 0.21 115.58 118.93 3k1a h ASN 104 Ca 0.05 0.23 -0.04 0.00 -0.55 0.00 0.00 56.30 56.00 3k1a h ASN 104 Cb 1.01 0.64 -0.02 0.00 0.05 0.00 0.00 38.32 40.00 3k1a h ASN 104 CO 0.10 -0.34 0.08 0.03 -1.65 0.00 0.00 177.43 175.66 3k1a h ARG 105 N -0.24 0.63 0.02 0.81 -0.00 -1.25 0.60 114.38 114.95 3k1a h ARG 105 Ca 0.18 -0.12 -0.00 0.00 -0.50 0.00 0.00 59.98 59.54 3k1a h ARG 105 Cb 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.43 3k1a h ARG 105 CO -0.66 0.59 -0.01 1.25 0.00 0.00 0.00 179.97 181.14 3k1a h HIS 106 N 0.61 -0.03 0.00 3.04 2.76 -1.02 -3.37 115.15 117.15 3k1a h HIS 106 Ca 0.14 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 3k1a h HIS 106 Cb 0.26 0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.23 3k1a h HIS 106 CO 0.01 0.68 -0.55 1.19 -1.30 0.00 0.00 177.93 177.96 3k1a n PHE 107 N -4.74 0.60 -3.94 5.26 3.72 0.68 -4.71 117.46 114.32 3k1a n PHE 107 Ca -0.09 0.17 -0.26 0.00 -0.05 0.00 0.00 57.45 57.23 3k1a n PHE 107 Cb 0.35 -0.69 -0.02 0.00 -0.94 0.00 0.00 39.48 38.19 3k1a n PHE 107 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3k1a n ARG 108 N -2.13 -3.09 -4.09 -1.08 1.74 0.21 -5.00 116.66 103.23 3k1a n ARG 108 Ca 0.04 0.40 -0.09 0.00 -0.77 0.00 0.00 57.85 57.42 3k1a n ARG 108 Cb 0.44 -4.46 -0.09 0.00 -1.02 0.00 0.00 32.46 27.32 3k1a n ARG 108 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3k1a s GLU 109 N -6.54 0.87 0.61 5.56 0.41 -1.23 -5.07 118.70 113.31 3k1a s GLU 109 Ca 0.03 -1.31 -0.18 0.00 -0.41 0.00 0.00 54.97 53.10 3k1a s GLU 109 Cb -0.01 0.26 -0.03 0.00 -1.78 0.00 0.00 34.13 32.57 3k1a s GLU 109 CO 0.89 -0.24 1.23 -2.14 -0.49 0.00 0.00 175.26 174.51 3k1a s PRO 110 N -3.99 2.82 -0.25 0.39 0.02 -1.26 -4.37 135.00 128.35 3k1a s PRO 110 Ca 0.17 1.90 -0.02 0.00 0.02 0.00 0.00 61.00 63.07 3k1a s PRO 110 Cb 0.07 -1.90 0.08 0.00 0.02 0.00 0.00 34.50 32.77 3k1a s PRO 110 CO -0.03 -1.35 0.08 0.08 -0.33 0.00 0.00 177.00 175.45 3k1a s VAL 111 N -1.55 0.52 -0.19 3.83 1.01 -1.26 -4.90 120.40 117.86 3k1a s VAL 111 Ca 0.79 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 61.70 3k1a s VAL 111 Cb -0.33 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 3k1a s VAL 111 CO 0.35 -0.47 0.55 -0.44 0.00 0.00 0.00 175.10 175.10 3k1a s SER 112 N 1.83 6.61 -0.28 3.32 0.01 -1.26 -4.83 113.70 119.10 3k1a s SER 112 Ca 0.05 0.74 -0.25 0.00 1.31 0.00 0.00 55.95 57.80 3k1a s SER 112 Cb -0.17 -2.31 0.10 0.00 0.21 0.00 0.00 66.02 63.85 3k1a s SER 112 CO -0.20 -0.20 0.89 0.00 0.41 0.00 0.00 173.24 174.14 3k1a s VAL 114 N 0.34 2.31 0.14 0.00 -7.23 -0.68 -5.00 120.40 110.28 3k1a s VAL 114 Ca 0.01 -1.80 0.04 0.00 -1.81 0.00 0.00 61.98 58.41 3k1a s VAL 114 Cb -0.05 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.88 3k1a s VAL 114 CO -0.03 -0.04 -0.08 -0.55 -0.31 0.00 0.00 175.10 174.09 3k1a s SER 115 N -3.83 1.60 -0.09 4.85 0.15 -1.26 -1.49 113.70 113.63 3k1a s SER 115 Ca 0.39 -1.03 0.17 0.00 0.70 0.00 0.00 55.95 56.18 3k1a s SER 115 Cb 0.04 0.02 0.59 0.00 -1.71 0.00 0.00 66.02 64.97 3k1a s SER 115 CO 0.21 -0.38 1.50 -0.90 1.20 0.00 0.00 173.24 174.87 3k1a n ASP 116 N -0.17 4.13 -3.80 5.45 5.68 -1.23 -4.96 116.55 121.65 3k1a n ASP 116 Ca -0.10 -2.40 -0.36 0.00 -0.50 0.00 0.00 54.79 51.43 3k1a n ASP 116 Cb 0.61 -0.48 0.04 0.00 -1.14 0.00 0.00 41.12 40.14 3k1a n ASP 116 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3k1a n SER 117 N 0.77 -4.99 -4.74 -1.12 7.64 -1.19 -4.82 113.62 105.17 3k1a n SER 117 Ca 0.22 -1.10 -0.41 0.00 1.01 0.00 0.00 58.87 58.58 3k1a n SER 117 Cb 0.76 -2.84 -0.04 0.00 -1.01 0.00 0.00 64.21 61.09 3k1a n SER 117 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3k1a s MET 118 N -6.40 4.51 0.14 1.43 -1.94 -0.25 -4.92 119.30 111.87 3k1a s MET 118 Ca 0.48 1.84 0.00 0.00 -1.71 0.00 0.00 55.69 56.30 3k1a s MET 118 Cb -0.20 -3.25 0.00 0.00 2.01 0.00 0.00 34.83 33.39 3k1a s MET 118 CO 0.90 -0.05 0.03 0.25 -0.01 0.00 0.00 175.02 176.13 3k1a n THR 119 N 2.48 0.00 -0.31 2.05 -2.24 -1.26 -4.36 114.28 110.64 3k1a n THR 119 Ca 0.04 -0.65 0.09 0.00 -2.27 0.00 0.00 64.05 61.26 3k1a n THR 119 Cb 0.45 0.01 0.25 0.00 -2.10 0.00 0.00 70.33 68.94 3k1a n THR 119 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3k1a h GLU 120 N 0.00 0.64 0.00 -0.78 3.07 -2.02 -2.08 114.58 113.42 3k1a h GLU 120 Ca -0.11 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.65 3k1a h GLU 120 Cb 0.35 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 3k1a h GLU 120 CO 0.18 0.43 -0.29 -0.44 -1.40 0.00 0.00 179.01 177.49 3k1a h ASP 121 N 0.66 0.00 1.24 1.42 3.32 -1.98 -2.13 116.42 118.95 3k1a h ASP 121 Ca 0.49 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.49 3k1a h ASP 121 Cb 0.71 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 3k1a h ASP 121 CO -0.37 0.29 -0.27 0.00 -1.72 0.00 0.00 179.24 177.16 3k1a h ALA 122 N 1.71 0.91 -0.37 3.45 0.00 -1.61 -3.20 119.26 120.15 3k1a h ALA 122 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3k1a h ALA 122 Cb 0.78 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3k1a h ALA 122 CO 0.04 0.34 0.20 0.00 0.00 0.00 0.00 179.25 179.83 3k1a h ALA 123 N 1.73 0.48 0.00 0.00 0.00 -1.29 1.18 119.26 121.35 3k1a h ALA 123 Ca -0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3k1a h ALA 123 Cb 0.97 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3k1a h ALA 123 CO 0.04 0.01 -0.52 0.28 0.00 0.00 0.00 179.25 179.05 3k1a h VAL 124 N 0.47 1.24 0.00 0.00 2.07 -1.63 -3.37 116.25 115.02 3k1a h VAL 124 Ca 0.13 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.77 3k1a h VAL 124 Cb 0.07 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3k1a h VAL 124 CO -0.02 0.51 0.00 0.49 0.02 0.00 0.00 177.57 178.57 3k1a n PHE 125 N -3.71 0.00 0.00 1.57 3.72 -1.12 -5.14 117.46 112.77 3k1a n PHE 125 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3k1a n PHE 125 Cb 0.57 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 3k1a n PHE 125 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k1a n GLY 126 N 0.21 1.20 1.31 1.37 0.00 0.40 -4.82 105.19 104.86 3k1a n GLY 126 Ca 0.00 -1.94 -0.03 0.00 0.00 0.00 0.00 46.02 44.05 3k1a n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1a n GLY 127 N 1.63 4.43 0.20 -0.02 0.00 -1.26 -4.54 105.19 105.63 3k1a n GLY 127 Ca 0.00 -1.13 -0.07 0.00 0.00 0.00 0.00 46.02 44.82 3k1a n GLY 127 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3k1a h GLN 128 N 1.47 0.63 -0.35 1.61 5.75 -1.95 -2.00 115.11 120.27 3k1a h GLN 128 Ca 0.21 -0.04 -0.14 0.00 -0.15 0.00 0.00 58.65 58.53 3k1a h GLN 128 Cb 1.82 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 30.22 3k1a h GLN 128 CO 0.47 0.43 -0.33 0.37 -2.65 0.00 0.00 178.83 177.12 3k1a h GLN 129 N 0.63 0.78 -0.94 1.69 5.75 -1.97 -1.92 115.11 119.14 3k1a h GLN 129 Ca 0.17 -0.37 0.10 0.00 -0.15 0.00 0.00 58.65 58.41 3k1a h GLN 129 Cb -0.05 -0.01 -0.08 0.00 1.07 0.00 0.00 27.48 28.41 3k1a h GLN 129 CO -0.04 0.99 0.58 -0.91 -2.65 0.00 0.00 178.83 176.80 3k1a h ASN 130 N 0.65 0.85 0.08 -0.69 2.35 -1.82 -1.31 115.58 115.69 3k1a h ASN 130 Ca 0.07 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3k1a h ASN 130 Cb 0.87 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.11 3k1a h ASN 130 CO 0.08 0.47 -0.04 -0.03 -1.65 0.00 0.00 177.43 176.26 3k1a h MET 131 N 0.94 -0.11 0.22 0.81 4.05 -0.93 0.32 114.93 120.25 3k1a h MET 131 Ca 0.45 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.89 3k1a h MET 131 Cb 0.40 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.19 3k1a h MET 131 CO -0.25 0.22 -0.33 0.87 0.23 0.00 0.00 176.91 177.65 3k1a h LYS 132 N -0.44 -0.60 -0.26 0.39 1.57 -1.09 0.10 116.57 116.24 3k1a h LYS 132 Ca -0.01 0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.66 3k1a h LYS 132 Cb 0.38 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 3k1a h LYS 132 CO 0.02 -0.40 -0.42 -0.44 -0.57 0.00 0.00 179.45 177.64 3k1a h ASP 133 N -0.62 0.82 -0.06 0.86 3.32 -1.33 -2.62 116.42 116.79 3k1a h ASP 133 Ca 0.01 -0.52 0.03 0.00 0.02 0.00 0.00 57.03 56.57 3k1a h ASP 133 Cb 0.61 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 3k1a h ASP 133 CO -0.13 1.18 -0.18 1.23 -1.72 0.00 0.00 179.24 179.63 3k1a h GLY 134 N 0.48 -0.18 1.01 2.75 0.00 -0.25 0.17 103.07 107.04 3k1a h GLY 134 Ca 0.02 0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 3k1a h GLY 134 CO 0.10 -0.17 0.42 1.41 0.00 0.00 0.00 176.54 178.30 3k1a h LEU 135 N -0.26 0.89 -0.27 3.11 3.38 -1.03 -0.89 115.31 120.24 3k1a h LEU 135 Ca 0.07 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3k1a h LEU 135 Cb 0.36 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3k1a h LEU 135 CO -0.21 0.71 0.04 -0.61 0.09 0.00 0.00 178.44 178.46 3k1a h GLN 136 N 0.99 0.46 -0.47 1.13 4.15 -1.20 -2.13 115.11 118.04 3k1a h GLN 136 Ca 0.26 -0.13 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 3k1a h GLN 136 Cb 0.00 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 3k1a h GLN 136 CO -0.04 0.58 0.16 -0.91 -1.93 0.00 0.00 178.83 176.68 3k1a h ASN 137 N 0.27 0.67 -0.27 -0.69 2.35 -0.52 -2.22 115.58 115.16 3k1a h ASN 137 Ca 0.08 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.60 3k1a h ASN 137 Cb 0.35 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3k1a h ASN 137 CO 0.01 0.69 0.04 0.00 -1.65 0.00 0.00 177.43 176.51 3k1a h LYS 139 N 0.26 0.85 -0.21 0.00 3.64 -1.35 -1.54 116.57 118.23 3k1a h LYS 139 Ca 0.08 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 3k1a h LYS 139 Cb 0.35 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3k1a h LYS 139 CO 0.01 0.62 -0.56 0.00 -2.27 0.00 0.00 179.45 177.24 3k1a h ALA 140 N 1.19 0.63 0.04 5.00 0.00 -1.30 -2.36 119.26 122.44 3k1a h ALA 140 Ca 0.22 -0.52 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 3k1a h ALA 140 Cb -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3k1a h ALA 140 CO -0.04 0.69 -0.86 1.15 0.00 0.00 0.00 179.25 180.19 3k1a h THR 141 N 0.48 1.27 -0.01 0.00 2.02 -1.02 -3.38 112.91 112.26 3k1a h THR 141 Ca 0.01 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.88 3k1a h THR 141 Cb 1.12 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 70.33 3k1a h THR 141 CO 0.11 0.53 -0.46 -1.22 0.37 0.00 0.00 175.52 174.85 3k1a n TYR 142 N -4.35 0.00 -3.80 3.16 4.01 -0.59 -5.02 117.16 110.57 3k1a n TYR 142 Ca -0.22 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.29 3k1a n TYR 142 Cb 0.68 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.72 3k1a n TYR 142 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3k1a n LYS 143 N -0.26 -3.99 -2.10 -0.72 4.76 -0.89 -4.96 118.16 110.00 3k1a n LYS 143 Ca 0.07 0.52 -0.32 0.00 -2.87 0.00 0.00 58.31 55.72 3k1a n LYS 143 Cb 0.38 -4.85 -0.01 0.00 -1.84 0.00 0.00 35.03 28.72 3k1a n LYS 143 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3k1a s PRO 144 N -6.20 3.68 0.30 1.97 0.05 -1.26 -4.96 135.00 128.58 3k1a s PRO 144 Ca 0.03 0.90 0.23 0.00 0.05 0.00 0.00 61.00 62.22 3k1a s PRO 144 Cb -0.01 -2.09 0.27 0.00 0.05 0.00 0.00 34.50 32.72 3k1a s PRO 144 CO 0.85 -0.50 1.40 -0.44 0.05 0.00 0.00 177.00 178.36 3k1a h ASP 145 N 0.28 0.00 -4.55 6.66 3.32 -0.93 -3.47 116.42 117.73 3k1a h ASP 145 Ca -0.46 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.45 3k1a h ASP 145 Cb 1.19 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.52 3k1a h ASP 145 CO 0.61 0.01 -0.27 -0.32 -1.72 0.00 0.00 179.24 177.55 3k1a s MET 146 N -3.25 0.58 -0.18 3.56 1.75 -1.13 -4.42 119.30 116.22 3k1a s MET 146 Ca 0.05 0.09 0.01 0.00 -1.25 0.00 0.00 55.69 54.59 3k1a s MET 146 Cb 0.08 0.27 0.02 0.00 2.84 0.00 0.00 34.83 38.04 3k1a s MET 146 CO 0.71 -0.13 -0.20 0.42 -0.65 0.00 0.00 175.02 175.16 3k1a s ILE 147 N -0.73 2.05 -0.35 10.11 1.01 -0.98 -0.77 121.20 131.54 3k1a s ILE 147 Ca -0.08 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.53 3k1a s ILE 147 Cb -0.04 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.59 3k1a s ILE 147 CO 0.03 0.54 0.19 0.00 0.00 0.00 0.00 174.94 175.70 3k1a s ALA 148 N 1.27 3.30 -0.15 9.38 0.00 -0.75 -3.44 121.76 131.37 3k1a s ALA 148 Ca 0.04 -1.56 -0.13 0.00 0.00 0.00 0.00 51.96 50.32 3k1a s ALA 148 Cb -0.13 -2.52 -0.05 0.00 0.00 0.00 0.00 23.12 20.42 3k1a s ALA 148 CO -0.12 -1.16 0.26 0.08 0.00 0.00 0.00 175.76 174.81 3k1a s VAL 149 N 1.59 5.32 0.06 0.00 1.01 0.06 -1.29 120.40 127.15 3k1a s VAL 149 Ca 0.03 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.49 3k1a s VAL 149 Cb -0.18 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 3k1a s VAL 149 CO 0.07 0.43 0.01 -1.54 0.00 0.00 0.00 175.10 174.08 3k1a n SER 150 N 3.28 1.43 -4.06 3.32 3.41 0.43 -1.36 113.62 120.06 3k1a n SER 150 Ca -0.14 -1.31 -0.11 0.00 -0.26 0.00 0.00 58.87 57.06 3k1a n SER 150 Cb 0.52 0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 64.47 3k1a n SER 150 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3k1a s THR 151 N -1.57 0.42 0.58 6.66 -4.23 -1.25 0.19 115.64 116.44 3k1a s THR 151 Ca 0.02 -1.24 0.03 0.00 -1.18 0.00 0.00 61.69 59.31 3k1a s THR 151 Cb 0.00 -0.78 0.06 0.00 1.34 0.00 0.00 72.50 73.13 3k1a s THR 151 CO 0.01 -0.55 0.81 0.42 -0.54 0.00 0.00 174.62 174.77 3k1a s THR 152 N -2.01 2.48 0.27 3.99 -4.23 -0.82 -4.51 115.64 110.82 3k1a s THR 152 Ca -0.06 -0.74 0.05 0.00 -1.18 0.00 0.00 61.69 59.75 3k1a s THR 152 Cb -0.06 -2.74 0.02 0.00 1.34 0.00 0.00 72.50 71.06 3k1a s THR 152 CO -0.02 0.00 1.66 0.00 -0.54 0.00 0.00 174.62 175.72 3k1a h MET 154 N 0.24 -0.30 -0.47 0.00 1.85 -1.95 0.15 114.93 114.44 3k1a h MET 154 Ca 0.02 0.02 -0.05 0.00 -0.61 0.00 0.00 59.70 59.08 3k1a h MET 154 Cb 0.88 0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.95 3k1a h MET 154 CO 0.07 -0.20 0.10 0.00 -0.40 0.00 0.00 176.91 176.48 3k1a h ALA 155 N 0.63 1.29 -0.24 0.39 0.00 -1.76 -2.50 119.26 117.08 3k1a h ALA 155 Ca 0.11 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 3k1a h ALA 155 Cb 0.49 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3k1a h ALA 155 CO -0.35 0.50 -0.36 0.93 0.00 0.00 0.00 179.25 179.97 3k1a h GLU 156 N 0.70 0.66 -0.41 0.00 4.39 -1.05 -2.31 114.58 116.55 3k1a h GLU 156 Ca 0.15 -0.39 -0.04 0.00 0.34 0.00 0.00 59.36 59.42 3k1a h GLU 156 Cb 0.28 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 3k1a h GLU 156 CO -0.00 1.01 0.11 0.28 -1.16 0.00 0.00 179.01 179.24 3k1a h VAL 157 N 0.37 1.23 0.00 3.13 2.07 -0.57 -2.33 116.25 120.14 3k1a h VAL 157 Ca 0.02 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3k1a h VAL 157 Cb 0.95 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3k1a h VAL 157 CO 0.08 0.27 0.00 2.30 0.02 0.00 0.00 177.57 180.24 3k1a n ILE 158 N -4.56 0.72 -2.38 4.57 -5.35 -0.95 -4.94 119.36 106.47 3k1a n ILE 158 Ca -0.00 0.06 -0.02 0.00 -0.27 0.00 0.00 62.75 62.51 3k1a n ILE 158 Cb 0.20 -0.93 0.01 0.00 -1.74 0.00 0.00 39.64 37.18 3k1a n ILE 158 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3k1a n GLY 159 N 0.50 0.54 3.69 3.28 0.00 -0.88 -5.00 105.19 107.32 3k1a n GLY 159 Ca 0.04 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 3k1a n GLY 159 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k1a s ASP 160 N -3.11 6.89 -0.80 1.61 1.01 -1.01 -4.96 116.67 116.30 3k1a s ASP 160 Ca 0.03 2.09 -0.26 0.00 0.71 0.00 0.00 52.55 55.13 3k1a s ASP 160 Cb -0.01 -2.56 0.02 0.00 1.01 0.00 0.00 42.92 41.37 3k1a s ASP 160 CO 0.09 -0.68 1.45 -0.62 0.21 0.00 0.00 175.17 175.62 3k1a s ASP 161 N 1.69 6.04 0.26 0.27 -1.08 -1.26 -4.88 116.67 117.72 3k1a s ASP 161 Ca 0.63 -0.59 -0.02 0.00 -0.52 0.00 0.00 52.55 52.04 3k1a s ASP 161 Cb -0.31 -2.56 0.43 0.00 -1.46 0.00 0.00 42.92 39.02 3k1a s ASP 161 CO 0.27 -1.90 1.85 -0.07 0.52 0.00 0.00 175.17 175.84 3k1a h LEU 162 N 13.79 0.90 0.35 -1.34 3.38 -1.99 -1.72 115.31 128.69 3k1a h LEU 162 Ca -0.14 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3k1a h LEU 162 Cb 1.05 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3k1a h LEU 162 CO 1.30 0.54 -0.17 -1.13 0.09 0.00 0.00 178.44 179.08 3k1a h ASN 163 N 1.02 -0.39 -0.36 -0.43 -1.24 -1.99 -0.63 115.58 111.55 3k1a h ASN 163 Ca 0.43 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.44 3k1a h ASN 163 Cb 0.29 0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.42 3k1a h ASN 163 CO -0.21 -0.25 0.24 0.00 -1.29 0.00 0.00 177.43 175.91 3k1a h ALA 164 N 0.15 0.45 -0.68 1.57 0.00 -1.94 -0.21 119.26 118.60 3k1a h ALA 164 Ca -0.05 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.90 3k1a h ALA 164 Cb 0.38 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3k1a h ALA 164 CO 0.08 -0.08 0.37 0.74 0.00 0.00 0.00 179.25 180.35 3k1a h PHE 165 N 0.48 0.67 -0.33 0.00 -1.00 -1.21 0.55 116.94 116.10 3k1a h PHE 165 Ca 0.13 0.03 -0.16 0.00 2.81 0.00 0.00 57.97 60.78 3k1a h PHE 165 Cb -0.05 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.30 3k1a h PHE 165 CO -0.05 0.31 -0.43 0.82 -1.61 0.00 0.00 178.31 177.34 3k1a h ILE 166 N 0.67 1.28 -0.25 -0.55 2.04 -0.88 -2.13 117.51 117.69 3k1a h ILE 166 Ca 0.31 -1.61 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 3k1a h ILE 166 Cb 0.23 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 3k1a h ILE 166 CO -0.20 0.53 0.06 0.78 0.00 0.00 0.00 178.15 179.32 3k1a h ASN 167 N 0.68 0.39 -0.23 1.72 -0.26 -0.30 -2.08 115.58 115.49 3k1a h ASN 167 Ca 0.05 -0.23 -0.00 0.00 -0.56 0.00 0.00 56.30 55.55 3k1a h ASN 167 Cb 1.01 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 38.16 3k1a h ASN 167 CO 0.10 0.52 0.14 0.78 -1.06 0.00 0.00 177.43 177.90 3k1a h ASN 168 N 0.24 0.30 -0.50 5.81 -0.26 0.06 0.20 115.58 121.43 3k1a h ASN 168 Ca 0.08 -0.01 -0.10 0.00 -0.56 0.00 0.00 56.30 55.71 3k1a h ASN 168 Cb 0.28 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.45 3k1a h ASN 168 CO 0.00 0.24 -0.05 0.28 -1.06 0.00 0.00 177.43 176.84 3k1a h SER 169 N 0.34 0.94 -0.13 5.81 0.02 -1.09 -1.12 113.55 118.33 3k1a h SER 169 Ca 0.09 -0.27 -0.18 0.00 -0.84 0.00 0.00 61.79 60.59 3k1a h SER 169 Cb 0.01 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.30 3k1a h SER 169 CO -0.02 1.02 -0.61 0.11 -1.14 0.00 0.00 176.83 176.20 3k1a h LYS 170 N 0.87 0.65 -0.90 3.45 1.57 -0.67 -1.64 116.57 119.89 3k1a h LYS 170 Ca 0.15 -0.52 0.02 0.00 -1.87 0.00 0.00 60.65 58.43 3k1a h LYS 170 Cb 0.58 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.94 3k1a h LYS 170 CO 0.03 1.14 0.60 0.87 -0.57 0.00 0.00 179.45 181.52 3k1a h LYS 171 N 0.31 1.14 -0.49 3.15 6.56 -0.57 -2.89 116.57 123.78 3k1a h LYS 171 Ca -0.04 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.48 3k1a h LYS 171 Cb 1.25 -0.26 0.00 0.00 -0.57 0.00 0.00 32.23 32.65 3k1a h LYS 171 CO 0.13 0.76 0.00 0.39 -2.06 0.00 0.00 179.45 178.66 3k1a n GLU 172 N -4.42 2.17 -1.00 3.15 1.02 -0.43 -4.94 120.64 116.19 3k1a n GLU 172 Ca 0.11 -1.76 0.00 0.00 -0.02 0.00 0.00 57.16 55.49 3k1a n GLU 172 Cb 0.06 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 3k1a n GLU 172 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k1a n GLY 173 N 1.24 0.52 0.25 0.62 0.00 -1.09 -4.93 105.19 101.80 3k1a n GLY 173 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 3k1a n GLY 173 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3k1a h PHE 174 N 0.00 0.93 -3.97 1.61 -1.00 -1.55 -3.44 116.94 109.53 3k1a h PHE 174 Ca 0.00 -0.19 -0.45 0.00 2.81 0.00 0.00 57.97 60.14 3k1a h PHE 174 Cb 0.01 -0.23 -0.22 0.00 3.61 0.00 0.00 35.95 39.12 3k1a h PHE 174 CO 0.01 0.92 -0.79 0.96 -1.61 0.00 0.00 178.31 177.79 3k1a s ILE 175 N -4.87 1.25 0.50 -0.55 -4.36 -1.21 -4.39 121.20 107.56 3k1a s ILE 175 Ca -0.12 -1.29 -0.23 0.00 -0.26 0.00 0.00 60.65 58.75 3k1a s ILE 175 Cb 0.11 -1.17 -0.06 0.00 1.25 0.00 0.00 42.46 42.59 3k1a s ILE 175 CO 0.82 -0.13 1.34 -2.84 0.24 0.00 0.00 174.94 174.37 3k1a s PRO 176 N -1.64 3.40 0.41 0.37 0.02 -1.26 -4.40 135.00 131.90 3k1a s PRO 176 Ca 0.01 2.20 0.09 0.00 0.02 0.00 0.00 61.00 63.32 3k1a s PRO 176 Cb -0.10 -2.40 0.89 0.00 0.02 0.00 0.00 34.50 32.91 3k1a s PRO 176 CO 0.02 -0.97 2.00 0.22 -0.33 0.00 0.00 177.00 177.95 3k1a h ASP 177 N 1.81 0.49 -0.59 2.53 1.82 -1.97 -1.62 116.42 118.88 3k1a h ASP 177 Ca -0.51 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.13 3k1a h ASP 177 Cb 1.28 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.19 3k1a h ASP 177 CO 0.59 0.32 0.00 -0.62 -1.61 0.00 0.00 179.24 177.92 3k1a n GLU 178 N -4.47 2.50 -2.57 0.28 1.02 -1.26 -4.87 120.64 111.27 3k1a n GLU 178 Ca 0.08 -2.19 -0.43 0.00 -0.02 0.00 0.00 57.16 54.60 3k1a n GLU 178 Cb 0.22 -1.51 -0.02 0.00 -0.02 0.00 0.00 31.44 30.10 3k1a n GLU 178 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3k1a s PHE 179 N -1.28 3.27 -0.10 -0.32 5.36 -0.61 -4.98 117.98 119.32 3k1a s PHE 179 Ca 0.40 1.36 -0.29 0.00 -0.96 0.00 0.00 56.93 57.44 3k1a s PHE 179 Cb 0.22 -3.33 -0.04 0.00 -0.34 0.00 0.00 43.02 39.53 3k1a s PHE 179 CO 0.26 -0.85 1.51 -1.25 -1.46 0.00 0.00 175.22 173.44 3k1a s PRO 180 N 2.56 4.18 -0.49 10.12 0.04 -1.26 -4.94 135.00 145.20 3k1a s PRO 180 Ca 0.51 1.97 0.06 0.00 0.04 0.00 0.00 61.00 63.58 3k1a s PRO 180 Cb -0.20 -3.91 0.21 0.00 0.04 0.00 0.00 34.50 30.64 3k1a s PRO 180 CO 0.16 -0.82 0.50 0.28 0.04 0.00 0.00 177.00 177.16 3k1a n VAL 181 N 5.50 0.07 -1.93 -0.36 0.31 -1.26 -2.33 118.33 118.33 3k1a n VAL 181 Ca 0.16 -4.18 -0.34 0.00 -0.01 0.00 0.00 64.34 59.97 3k1a n VAL 181 Cb 0.44 -1.93 0.03 0.00 -0.91 0.00 0.00 33.84 31.48 3k1a n VAL 181 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3k1a s PRO 182 N -1.07 2.95 0.16 5.55 0.02 -1.22 -4.88 135.00 136.51 3k1a s PRO 182 Ca 0.34 1.55 -0.02 0.00 0.02 0.00 0.00 61.00 62.88 3k1a s PRO 182 Cb 0.09 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 3k1a s PRO 182 CO -0.13 -1.16 0.11 -0.59 -0.33 0.00 0.00 177.00 174.90 3k1a s PHE 183 N -2.03 0.92 -0.28 6.54 -0.71 -1.26 -0.76 117.98 120.40 3k1a s PHE 183 Ca 0.71 -1.24 -0.20 0.00 -1.04 0.00 0.00 56.93 55.15 3k1a s PHE 183 Cb -0.23 -0.46 0.09 0.00 -1.21 0.00 0.00 43.02 41.20 3k1a s PHE 183 CO 0.36 -0.59 0.77 0.00 -1.34 0.00 0.00 175.22 174.42 3k1a s ALA 184 N -4.08 -1.90 -0.08 1.99 0.00 -0.46 -4.49 121.76 112.73 3k1a s ALA 184 Ca 0.29 2.19 -0.30 0.00 0.00 0.00 0.00 51.96 54.15 3k1a s ALA 184 Cb 0.07 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 3k1a s ALA 184 CO 0.06 -0.34 1.10 -1.01 0.00 0.00 0.00 175.76 175.56 3k1a s HIS 185 N 0.98 3.36 -0.51 0.00 3.76 -1.26 -3.92 115.29 117.70 3k1a s HIS 185 Ca -0.05 1.41 0.07 0.00 -0.15 0.00 0.00 55.06 56.34 3k1a s HIS 185 Cb -0.05 -3.30 0.23 0.00 1.11 0.00 0.00 32.58 30.57 3k1a s HIS 185 CO -0.10 -0.76 0.58 0.25 -0.85 0.00 0.00 174.74 173.86 3k1a n THR 186 N 4.58 0.50 -2.22 1.30 -2.24 -1.26 -4.94 114.28 110.00 3k1a n THR 186 Ca 0.10 -4.44 -0.42 0.00 -2.27 0.00 0.00 64.05 57.02 3k1a n THR 186 Cb 0.47 -1.99 -0.03 0.00 -2.10 0.00 0.00 70.33 66.69 3k1a n THR 186 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3k1a s PRO 187 N -1.51 4.27 0.25 -0.78 0.04 -1.26 -4.16 135.00 131.84 3k1a s PRO 187 Ca 0.36 1.96 0.24 0.00 0.04 0.00 0.00 61.00 63.59 3k1a s PRO 187 Cb 0.13 -3.64 0.97 0.00 0.04 0.00 0.00 34.50 32.00 3k1a s PRO 187 CO -0.09 -0.62 1.71 -1.13 0.04 0.00 0.00 177.00 176.91 3k1a n SER 188 N 5.68 0.67 -0.64 6.66 3.41 -1.26 -1.80 113.62 126.33 3k1a n SER 188 Ca 0.14 0.66 0.07 0.00 -0.26 0.00 0.00 58.87 59.47 3k1a n SER 188 Cb 0.44 -0.80 0.21 0.00 -0.26 0.00 0.00 64.21 63.79 3k1a n SER 188 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 3k1a n PHE 189 N -2.23 0.42 -4.32 7.33 1.16 -1.26 -4.61 117.46 113.95 3k1a n PHE 189 Ca 0.02 -0.21 -0.30 0.00 -1.87 0.00 0.00 57.45 55.09 3k1a n PHE 189 Cb 0.24 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 37.94 3k1a n PHE 189 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3k1a s VAL 190 N -1.58 1.67 0.00 1.97 1.01 -0.75 -5.07 120.40 117.66 3k1a s VAL 190 Ca 0.26 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3k1a s VAL 190 Cb 0.14 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.99 3k1a s VAL 190 CO 0.19 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.37 3k1a n GLY 191 N 4.40 2.93 2.58 4.51 0.00 -1.26 -4.72 105.19 113.64 3k1a n GLY 191 Ca -0.19 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.54 3k1a n GLY 191 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k1a n SER 192 N 6.01 -1.42 -0.35 1.61 3.41 -1.26 -4.90 113.62 116.71 3k1a n SER 192 Ca 0.00 -2.20 0.23 0.00 -0.26 0.00 0.00 58.87 56.64 3k1a n SER 192 Cb 0.00 2.43 0.47 0.00 -0.26 0.00 0.00 64.21 66.85 3k1a n SER 192 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 3k1a h HIS 193 N 1.71 0.87 -0.21 7.33 2.07 -1.19 0.14 115.15 125.87 3k1a h HIS 193 Ca -0.22 0.03 -0.07 0.00 -2.85 0.00 0.00 60.37 57.25 3k1a h HIS 193 Cb 0.87 -0.24 -0.01 0.00 2.57 0.00 0.00 27.41 30.60 3k1a h HIS 193 CO 0.00 -0.06 -0.20 -0.39 -3.07 0.00 0.00 177.93 174.21 3k1a h VAL 194 N 0.40 1.23 -0.41 6.12 -1.51 -1.87 -2.52 116.25 117.69 3k1a h VAL 194 Ca 0.69 -1.07 -0.04 0.00 -1.23 0.00 0.00 66.70 65.05 3k1a h VAL 194 Cb 1.59 1.30 -0.02 0.00 -2.13 0.00 0.00 31.29 32.03 3k1a h VAL 194 CO -0.49 0.34 0.09 0.74 -1.23 0.00 0.00 177.57 177.02 3k1a h THR 195 N 0.33 1.19 -0.05 7.19 2.02 -1.02 -2.41 112.91 120.15 3k1a h THR 195 Ca 0.06 -0.69 -0.12 0.00 0.77 0.00 0.00 66.41 66.43 3k1a h THR 195 Cb 0.54 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 3k1a h THR 195 CO 0.04 0.25 -0.51 1.23 0.37 0.00 0.00 175.52 176.89 3k1a h GLY 196 N 0.84 0.16 0.82 2.16 0.00 -1.26 -1.52 103.07 104.27 3k1a h GLY 196 Ca 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 3k1a h GLY 196 CO -0.00 0.16 -0.03 -0.25 0.00 0.00 0.00 176.54 176.42 3k1a h TRP 197 N 0.12 -0.07 -0.17 5.60 7.01 -1.21 -0.12 115.95 127.10 3k1a h TRP 197 Ca 0.00 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.03 3k1a h TRP 197 Cb 0.95 0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 28.01 3k1a h TRP 197 CO 0.01 0.12 -0.01 0.22 -2.79 0.00 0.00 178.44 176.00 3k1a h ASP 198 N -0.26 -0.08 -0.64 2.65 3.58 -1.36 -0.20 116.42 120.11 3k1a h ASP 198 Ca -0.01 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 3k1a h ASP 198 Cb 0.23 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 3k1a h ASP 198 CO 0.01 -0.02 0.34 0.78 -2.88 0.00 0.00 179.24 177.48 3k1a h ASN 199 N 0.05 0.80 -0.25 2.28 2.35 -1.26 -1.50 115.58 118.05 3k1a h ASN 199 Ca 0.08 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 3k1a h ASN 199 Cb 0.10 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3k1a h ASN 199 CO -0.14 0.67 0.04 -0.03 -1.65 0.00 0.00 177.43 176.32 3k1a h MET 200 N 0.87 0.41 0.15 0.81 4.05 -0.79 -1.86 114.93 118.55 3k1a h MET 200 Ca 0.22 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.53 3k1a h MET 200 Cb 0.05 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 3k1a h MET 200 CO -0.03 0.53 -0.07 0.35 0.23 0.00 0.00 176.91 177.92 3k1a h PHE 201 N 0.22 -0.18 -0.77 1.39 3.57 -0.90 -1.27 116.94 119.00 3k1a h PHE 201 Ca 0.08 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.65 3k1a h PHE 201 Cb 0.32 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.05 3k1a h PHE 201 CO 0.02 -0.11 0.44 1.49 -2.23 0.00 0.00 178.31 177.92 3k1a h GLU 202 N -0.20 0.74 -0.82 1.11 4.22 -1.29 0.20 114.58 118.55 3k1a h GLU 202 Ca -0.02 -0.04 0.04 0.00 0.08 0.00 0.00 59.36 59.41 3k1a h GLU 202 Cb 0.15 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 3k1a h GLU 202 CO 0.03 0.49 0.54 0.78 -2.18 0.00 0.00 179.01 178.67 3k1a h GLY 203 N 0.76 1.15 1.47 1.92 0.00 -0.94 0.28 103.07 107.71 3k1a h GLY 203 Ca 0.36 -0.40 -0.22 0.00 0.00 0.00 0.00 47.33 47.08 3k1a h GLY 203 CO -0.22 0.34 -0.86 -2.22 0.00 0.00 0.00 176.54 173.59 3k1a h ILE 204 N 1.01 1.36 -0.40 2.60 2.04 -0.14 -2.21 117.51 121.77 3k1a h ILE 204 Ca 0.33 -2.25 -0.02 0.00 1.00 0.00 0.00 64.86 63.91 3k1a h ILE 204 Cb 0.04 2.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 3k1a h ILE 204 CO -0.10 0.68 0.16 0.00 0.00 0.00 0.00 178.15 178.90 3k1a h ALA 205 N 0.74 0.52 0.23 1.87 0.00 0.01 -2.91 119.26 119.72 3k1a h ALA 205 Ca -0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3k1a h ALA 205 Cb 1.47 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3k1a h ALA 205 CO 0.15 0.12 -0.18 0.00 0.00 0.00 0.00 179.25 179.34 3k1a h ARG 206 N 0.50 -0.41 -0.85 0.00 3.08 -0.51 -3.00 114.38 113.20 3k1a h ARG 206 Ca 0.13 0.03 0.20 0.00 0.07 0.00 0.00 59.98 60.41 3k1a h ARG 206 Cb 0.19 0.09 -0.12 0.00 0.08 0.00 0.00 29.97 30.21 3k1a h ARG 206 CO -0.01 -0.27 0.32 -0.92 -1.07 0.00 0.00 179.97 178.01 3k1a h TYR 207 N -0.42 0.52 -0.00 3.04 3.20 -1.29 -2.05 116.97 119.96 3k1a h TYR 207 Ca -0.01 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3k1a h TYR 207 Cb 0.37 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.55 3k1a h TYR 207 CO -0.12 -0.06 -0.60 1.19 -1.64 0.00 0.00 178.16 176.94 3k1a n PHE 208 N -5.08 0.00 0.00 -3.82 3.72 -1.11 -4.69 117.46 106.48 3k1a n PHE 208 Ca 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 3k1a n PHE 208 Cb 0.58 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 3k1a n PHE 208 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3k1a n THR 209 N -1.09 0.00 -0.23 4.37 -2.24 -1.03 -4.48 114.28 109.57 3k1a n THR 209 Ca 0.07 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.86 3k1a n THR 209 Cb 0.36 -0.07 0.13 0.00 -2.10 0.00 0.00 70.33 68.65 3k1a n THR 209 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3k1a h LEU 210 N 0.00 0.40 -0.52 3.22 5.85 -1.56 -2.09 115.31 120.60 3k1a h LEU 210 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3k1a h LEU 210 Cb 0.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3k1a h LEU 210 CO 0.00 0.23 -0.09 0.29 -0.34 0.00 0.00 178.44 178.53 3k1a n LYS 211 N -4.90 1.10 -0.15 1.25 4.76 -1.26 -3.97 118.16 114.99 3k1a n LYS 211 Ca 0.10 -0.52 0.07 0.00 -2.87 0.00 0.00 58.31 55.09 3k1a n LYS 211 Cb 0.28 -1.49 0.13 0.00 -1.84 0.00 0.00 35.03 32.11 3k1a n LYS 211 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3k1a n SER 212 N -0.49 2.67 0.20 4.39 2.88 -0.80 -4.78 113.62 117.69 3k1a n SER 212 Ca 0.17 -2.67 0.15 0.00 -1.33 0.00 0.00 58.87 55.18 3k1a n SER 212 Cb 0.30 -0.32 0.60 0.00 -0.75 0.00 0.00 64.21 64.03 3k1a n SER 212 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 3k1a h MET 213 N 0.65 0.00 -0.40 -1.46 2.86 -1.67 -3.30 114.93 111.62 3k1a h MET 213 Ca 0.00 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 3k1a h MET 213 Cb 0.94 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.55 3k1a h MET 213 CO 0.05 0.00 0.10 -0.44 1.06 0.00 0.00 176.91 177.68 3k1a h ASP 214 N 0.00 0.06 -0.21 1.22 3.32 -1.92 -2.84 116.42 116.06 3k1a h ASP 214 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3k1a h ASP 214 Cb 0.41 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3k1a h ASP 214 CO 0.00 0.07 0.00 -0.90 -1.72 0.00 0.00 179.24 176.69 3k1a n ASP 215 N -5.06 1.45 -4.70 6.45 5.68 -1.24 -4.90 116.55 114.23 3k1a n ASP 215 Ca 0.02 -1.82 -0.37 0.00 -0.50 0.00 0.00 54.79 52.13 3k1a n ASP 215 Cb 0.17 -0.14 -0.08 0.00 -1.14 0.00 0.00 41.12 39.93 3k1a n ASP 215 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3k1a s LYS 216 N -1.72 4.18 -0.19 0.11 1.02 -1.07 -5.07 119.74 117.00 3k1a s LYS 216 Ca 0.26 -0.01 -0.04 0.00 0.02 0.00 0.00 55.97 56.19 3k1a s LYS 216 Cb 0.13 -3.48 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 3k1a s LYS 216 CO 0.19 0.13 -0.03 0.08 -0.92 0.00 0.00 175.35 174.81 3k1a s VAL 217 N 0.82 3.79 0.06 3.17 1.01 -1.26 -5.00 120.40 122.99 3k1a s VAL 217 Ca 0.14 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 3k1a s VAL 217 Cb -0.13 -2.69 -0.09 0.00 0.00 0.00 0.00 36.38 33.47 3k1a s VAL 217 CO 0.04 0.45 1.78 -0.69 0.00 0.00 0.00 175.10 176.68 3k1a s VAL 218 N 0.85 2.99 0.00 2.92 1.01 -1.26 -2.54 120.40 124.37 3k1a s VAL 218 Ca -0.00 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.27 3k1a s VAL 218 Cb -0.14 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.05 3k1a s VAL 218 CO 0.02 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.72 3k1a n GLY 219 N 4.21 0.73 0.20 4.51 0.00 -0.08 -4.88 105.19 109.88 3k1a n GLY 219 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3k1a n GLY 219 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k1a h SER 220 N 0.00 0.16 0.76 1.61 4.64 -0.79 -2.38 113.55 117.55 3k1a h SER 220 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3k1a h SER 220 Cb 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3k1a h SER 220 CO 0.00 0.51 -0.43 -0.46 -0.87 0.00 0.00 176.83 175.58 3k1a n ASN 221 N -4.08 0.50 -1.47 4.97 0.23 -0.70 -4.96 115.26 109.75 3k1a n ASN 221 Ca -0.01 0.05 -0.15 0.00 -0.53 0.00 0.00 54.58 53.94 3k1a n ASN 221 Cb 0.42 0.03 -0.03 0.00 -2.08 0.00 0.00 39.78 38.13 3k1a n ASN 221 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3k1a n LYS 222 N -1.75 -1.13 -3.76 -3.83 5.02 -0.90 -5.00 118.16 106.81 3k1a n LYS 222 Ca 0.05 0.85 -0.22 0.00 -2.02 0.00 0.00 58.31 56.97 3k1a n LYS 222 Cb 0.38 -5.09 -0.04 0.00 -0.02 0.00 0.00 35.03 30.25 3k1a n LYS 222 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3k1a s LYS 223 N -4.13 2.50 -0.15 1.97 1.02 -1.26 -4.61 119.74 115.07 3k1a s LYS 223 Ca 0.00 -1.54 0.01 0.00 0.02 0.00 0.00 55.97 54.46 3k1a s LYS 223 Cb 0.00 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 3k1a s LYS 223 CO 0.00 -0.09 -0.17 0.42 -0.92 0.00 0.00 175.35 174.59 3k1a s ILE 224 N -2.46 2.51 0.24 2.17 1.01 -0.49 -0.02 121.20 124.16 3k1a s ILE 224 Ca 0.44 -0.83 -0.30 0.00 0.00 0.00 0.00 60.65 59.97 3k1a s ILE 224 Cb -0.02 -2.04 -0.09 0.00 0.01 0.00 0.00 42.46 40.31 3k1a s ILE 224 CO 0.26 0.52 0.98 0.20 0.00 0.00 0.00 174.94 176.90 3k1a s ASN 225 N 0.81 7.56 -0.13 3.58 0.01 -0.56 -1.32 114.94 124.89 3k1a s ASN 225 Ca -0.06 2.01 0.00 0.00 -0.71 0.00 0.00 52.86 54.10 3k1a s ASN 225 Cb -0.15 -2.61 0.02 0.00 0.41 0.00 0.00 41.25 38.92 3k1a s ASN 225 CO -0.00 0.08 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.93 3k1a s ILE 226 N -1.10 1.31 -0.31 0.60 -1.09 0.10 -0.34 121.20 120.37 3k1a s ILE 226 Ca 0.42 -0.48 -0.06 0.00 -2.23 0.00 0.00 60.65 58.31 3k1a s ILE 226 Cb -0.27 -1.27 0.03 0.00 -1.58 0.00 0.00 42.46 39.37 3k1a s ILE 226 CO 0.34 0.42 0.07 -0.69 -1.23 0.00 0.00 174.94 173.84 3k1a s VAL 227 N 1.54 3.68 0.00 2.92 1.01 -0.37 -0.63 120.40 128.55 3k1a s VAL 227 Ca 0.04 -0.98 0.17 0.00 0.00 0.00 0.00 61.98 61.21 3k1a s VAL 227 Cb -0.13 -2.99 0.10 0.00 0.00 0.00 0.00 36.38 33.36 3k1a s VAL 227 CO -0.09 -0.04 1.59 1.55 0.00 0.00 0.00 175.10 178.12 3k1a h PRO 228 N 8.18 0.00 0.00 2.72 0.13 -1.85 -0.96 132.00 140.22 3k1a h PRO 228 Ca -0.27 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.96 3k1a h PRO 228 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3k1a h PRO 228 CO 0.59 0.44 -0.13 0.41 -0.23 0.00 0.00 178.00 179.08 3k1a n GLY 229 N 0.74 -2.02 3.57 1.56 0.00 -1.26 -4.20 105.19 103.58 3k1a n GLY 229 Ca 0.01 -1.37 -0.46 0.00 0.00 0.00 0.00 46.02 44.20 3k1a n GLY 229 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3k1a n PHE 230 N -1.71 1.94 -3.68 1.61 -0.00 -1.26 -4.93 117.46 109.42 3k1a n PHE 230 Ca 0.00 -0.03 -0.18 0.00 -0.00 0.00 0.00 57.45 57.25 3k1a n PHE 230 Cb 0.16 -2.68 -0.16 0.00 -0.00 0.00 0.00 39.48 36.80 3k1a n PHE 230 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 3k1a s GLU 231 N 6.00 -0.01 0.00 -4.13 2.56 -1.26 -5.03 118.70 116.82 3k1a s GLU 231 Ca 1.02 0.45 0.07 0.00 0.00 0.00 0.00 54.97 56.51 3k1a s GLU 231 Cb -0.51 -0.35 0.09 0.00 2.00 0.00 0.00 34.13 35.35 3k1a s GLU 231 CO 0.41 -0.29 0.82 0.25 -0.56 0.00 0.00 175.26 175.88 3k1a n THR 232 N 5.14 0.20 -3.72 -1.70 -2.24 -1.26 -4.92 114.28 105.78 3k1a n THR 232 Ca -0.07 -0.60 -0.37 0.00 -2.27 0.00 0.00 64.05 60.74 3k1a n THR 232 Cb 0.50 1.02 -0.11 0.00 -2.10 0.00 0.00 70.33 69.65 3k1a n THR 232 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3k1a s TYR 233 N -0.69 3.22 0.30 4.78 2.02 -1.26 -4.77 117.35 120.95 3k1a s TYR 233 Ca 0.10 0.01 -0.00 0.00 -0.37 0.00 0.00 57.07 56.81 3k1a s TYR 233 Cb 0.06 -2.26 0.47 0.00 -0.40 0.00 0.00 41.96 39.83 3k1a s TYR 233 CO 0.09 -0.09 1.89 -0.07 -1.57 0.00 0.00 175.55 175.80 3k1a h LEU 234 N 7.80 0.77 -2.02 -1.29 3.38 -0.56 -2.85 115.31 120.54 3k1a h LEU 234 Ca -0.37 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 3k1a h LEU 234 Cb 1.18 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 3k1a h LEU 234 CO 0.61 0.69 -0.06 1.23 0.09 0.00 0.00 178.44 181.01 3k1a h GLY 235 N 0.95 0.00 0.79 0.83 0.00 -1.39 -2.11 103.07 102.14 3k1a h GLY 235 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.45 3k1a h GLY 235 CO -0.02 0.00 -0.20 3.43 0.00 0.00 0.00 176.54 179.75 3k1a h ASN 236 N 0.00 0.47 -0.56 0.19 2.35 -1.61 0.34 115.58 116.75 3k1a h ASN 236 Ca -0.00 -0.50 0.03 0.00 -0.55 0.00 0.00 56.30 55.29 3k1a h ASN 236 Cb 0.11 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 3k1a h ASN 236 CO 0.01 0.87 0.32 -0.26 -1.65 0.00 0.00 177.43 176.72 3k1a h PHE 237 N 0.08 0.60 -0.55 1.19 0.04 -1.60 -2.88 116.94 113.82 3k1a h PHE 237 Ca 0.02 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.74 3k1a h PHE 237 Cb 0.75 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 3k1a h PHE 237 CO 0.09 0.33 0.05 -0.09 -0.60 0.00 0.00 178.31 178.08 3k1a h ARG 238 N 0.63 0.94 -0.21 1.51 9.65 -1.14 -2.85 114.38 122.92 3k1a h ARG 238 Ca 0.23 -0.28 -0.17 0.00 -1.10 0.00 0.00 59.98 58.66 3k1a h ARG 238 Cb 0.07 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.54 3k1a h ARG 238 CO -0.12 0.93 -0.56 -0.24 2.80 0.00 0.00 179.97 182.78 3k1a h VAL 239 N 0.83 1.31 0.00 0.20 3.04 -0.29 -1.37 116.25 119.97 3k1a h VAL 239 Ca 0.16 -1.80 -0.00 0.00 -1.01 0.00 0.00 66.70 64.05 3k1a h VAL 239 Cb 0.48 1.75 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 3k1a h VAL 239 CO 0.02 0.57 -0.00 0.40 -1.01 0.00 0.00 177.57 177.54 3k1a h ILE 240 N 0.49 1.09 -0.92 3.17 1.08 -1.47 0.44 117.51 121.39 3k1a h ILE 240 Ca 0.01 -0.27 0.01 0.00 -0.39 0.00 0.00 64.86 64.22 3k1a h ILE 240 Cb 1.13 1.27 -0.05 0.00 -3.07 0.00 0.00 36.82 36.10 3k1a h ILE 240 CO 0.11 0.07 0.61 0.11 -0.69 0.00 0.00 178.15 178.36 3k1a h LYS 241 N -0.12 1.20 -0.21 2.37 1.57 -1.49 -1.58 116.57 118.31 3k1a h LYS 241 Ca -0.00 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3k1a h LYS 241 Cb 0.12 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3k1a h LYS 241 CO 0.00 0.80 0.07 -0.09 -0.57 0.00 0.00 179.45 179.66 3k1a h ARG 242 N 1.24 0.32 -0.37 3.15 1.12 -0.90 -1.63 114.38 117.31 3k1a h ARG 242 Ca 0.34 -0.07 -0.13 0.00 -1.11 0.00 0.00 59.98 59.01 3k1a h ARG 242 Cb -0.13 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 29.77 3k1a h ARG 242 CO -0.08 0.41 -0.29 0.52 -3.11 0.00 0.00 179.97 177.42 3k1a h MET 243 N 0.17 0.80 -0.45 0.20 2.86 -0.73 -1.64 114.93 116.14 3k1a h MET 243 Ca 0.07 -0.36 -0.13 0.00 -2.06 0.00 0.00 59.70 57.22 3k1a h MET 243 Cb 0.22 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 3k1a h MET 243 CO -0.00 0.99 -0.23 -0.07 1.06 0.00 0.00 176.91 178.65 3k1a h LEU 244 N 0.68 0.98 -0.57 1.22 3.38 -1.26 -2.44 115.31 117.29 3k1a h LEU 244 Ca 0.08 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 3k1a h LEU 244 Cb 0.83 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3k1a h LEU 244 CO 0.07 1.17 0.11 0.28 0.09 0.00 0.00 178.44 180.16 3k1a h SER 245 N 0.79 0.90 -0.95 -0.43 0.02 -1.25 -0.60 113.55 112.02 3k1a h SER 245 Ca 0.10 -0.25 0.12 0.00 -0.84 0.00 0.00 61.79 60.91 3k1a h SER 245 Cb 0.81 -0.24 -0.08 0.00 0.14 0.00 0.00 62.40 63.03 3k1a h SER 245 CO 0.07 0.92 0.58 -0.33 -1.14 0.00 0.00 176.83 176.93 3k1a h GLU 246 N 0.84 0.89 0.00 3.45 5.08 -1.21 -1.58 114.58 122.05 3k1a h GLU 246 Ca 0.18 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3k1a h GLU 246 Cb 0.39 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3k1a h GLU 246 CO 0.01 0.59 0.00 -1.33 -1.00 0.00 0.00 179.01 177.28 3k1a n MET 247 N -4.67 0.13 -2.32 2.33 2.81 -0.93 -4.77 117.12 109.70 3k1a n MET 247 Ca 0.18 0.07 -0.12 0.00 -1.81 0.00 0.00 57.70 56.02 3k1a n MET 247 Cb 0.34 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.35 3k1a n MET 247 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3k1a n GLY 248 N 0.94 -0.09 3.60 3.03 0.00 -0.60 -4.65 105.19 107.42 3k1a n GLY 248 Ca 0.08 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 3k1a n GLY 248 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1a s VAL 249 N -2.65 5.07 0.16 1.61 1.01 -0.25 -4.98 120.40 120.37 3k1a s VAL 249 Ca 0.04 0.65 -0.31 0.00 0.00 0.00 0.00 61.98 62.35 3k1a s VAL 249 Cb -0.02 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 3k1a s VAL 249 CO 0.05 0.01 1.42 -0.83 0.00 0.00 0.00 175.10 175.75 3k1a s GLY 250 N 1.63 2.02 0.19 4.51 0.00 -1.26 -4.44 107.32 109.97 3k1a s GLY 250 Ca 0.19 1.21 -0.11 0.00 0.00 0.00 0.00 44.72 46.01 3k1a s GLY 250 CO 0.11 2.35 0.35 -2.52 0.00 0.00 0.00 173.10 173.39 3k1a s TYR 251 N 0.75 0.34 -0.22 1.90 1.13 -1.26 -1.39 117.35 118.60 3k1a s TYR 251 Ca 0.64 -0.70 -0.04 0.00 -1.41 0.00 0.00 57.07 55.56 3k1a s TYR 251 Cb -0.39 0.04 0.08 0.00 -1.10 0.00 0.00 41.96 40.59 3k1a s TYR 251 CO 0.34 -0.80 0.14 0.45 -2.51 0.00 0.00 175.55 173.17 3k1a s SER 252 N -2.97 2.50 -0.35 -0.18 0.15 -0.44 -4.84 113.70 107.57 3k1a s SER 252 Ca 0.18 -0.77 -0.26 0.00 0.70 0.00 0.00 55.95 55.80 3k1a s SER 252 Cb 0.02 -0.11 0.01 0.00 -1.71 0.00 0.00 66.02 64.23 3k1a s SER 252 CO 0.02 -0.38 0.92 -0.22 1.20 0.00 0.00 173.24 174.78 3k1a s LEU 253 N 2.18 4.01 -0.38 3.45 2.96 -1.26 -0.72 118.68 128.91 3k1a s LEU 253 Ca 0.06 0.64 -0.13 0.00 -0.22 0.00 0.00 54.13 54.48 3k1a s LEU 253 Cb -0.16 -3.26 0.02 0.00 0.50 0.00 0.00 46.19 43.29 3k1a s LEU 253 CO -0.20 -0.82 0.25 -0.76 -1.32 0.00 0.00 176.35 173.51 3k1a s LEU 254 N 3.40 4.85 0.00 -0.68 1.43 0.20 -4.43 118.68 123.45 3k1a s LEU 254 Ca 0.38 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 3k1a s LEU 254 Cb -0.12 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 43.99 3k1a s LEU 254 CO 0.17 -0.39 0.00 -0.24 0.23 0.00 0.00 176.35 176.13 3k1a n SER 255 N 5.09 -1.75 -3.86 2.29 2.88 -1.26 -4.32 113.62 112.70 3k1a n SER 255 Ca -0.12 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.12 3k1a n SER 255 Cb 0.47 -0.87 -0.14 0.00 -0.75 0.00 0.00 64.21 62.92 3k1a n SER 255 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3k1a s ASP 256 N -0.30 4.12 0.00 -3.46 2.15 0.14 -4.73 116.67 114.58 3k1a s ASP 256 Ca 0.00 -2.62 0.16 0.00 0.43 0.00 0.00 52.55 50.53 3k1a s ASP 256 Cb 0.00 -1.35 0.59 0.00 -0.30 0.00 0.00 42.92 41.86 3k1a s ASP 256 CO 0.00 -0.28 1.44 -0.81 -0.17 0.00 0.00 175.17 175.34 3k1a n PRO 257 N 3.60 1.70 0.24 4.34 -0.04 -1.26 -3.56 135.00 140.02 3k1a n PRO 257 Ca 0.05 -1.07 0.07 0.00 -0.04 0.00 0.00 63.50 62.51 3k1a n PRO 257 Cb 0.35 -1.33 0.58 0.00 -0.04 0.00 0.00 33.50 33.06 3k1a n PRO 257 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3k1a h GLU 258 N 1.98 0.00 0.02 0.54 -0.00 -1.92 -1.38 114.58 113.82 3k1a h GLU 258 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3k1a h GLU 258 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.19 3k1a h GLU 258 CO 0.00 0.12 -0.01 0.93 -0.00 0.00 0.00 179.01 180.05 3k1a h GLU 259 N 0.00 -0.03 -0.21 1.06 4.39 -1.81 -3.15 114.58 114.82 3k1a h GLU 259 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3k1a h GLU 259 Cb 0.21 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3k1a h GLU 259 CO 0.02 0.60 0.01 -0.39 -1.16 0.00 0.00 179.01 178.09 3k1a h VAL 260 N -0.69 1.13 -0.31 3.13 -1.51 -1.47 -2.22 116.25 114.31 3k1a h VAL 260 Ca -0.00 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 3k1a h VAL 260 Cb 0.64 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 3k1a h VAL 260 CO 0.00 0.17 0.00 0.18 -1.23 0.00 0.00 177.57 176.69 3k1a n LEU 261 N -4.38 2.70 -2.69 4.19 4.77 -0.55 -4.22 117.00 116.83 3k1a n LEU 261 Ca 0.00 -1.36 -0.03 0.00 -0.03 0.00 0.00 56.01 54.59 3k1a n LEU 261 Cb 0.18 -0.44 0.12 0.00 -2.33 0.00 0.00 43.42 40.95 3k1a n LEU 261 CO 0.37 0.45 0.55 -0.67 -1.33 0.00 0.00 177.39 176.75 3k1a n ASP 262 N 0.40 -1.20 -4.77 -1.43 2.03 -0.85 -4.92 116.55 105.81 3k1a n ASP 262 Ca 0.13 -2.24 -0.36 0.00 0.52 0.00 0.00 54.79 52.83 3k1a n ASP 262 Cb 0.54 0.61 0.00 0.00 -0.72 0.00 0.00 41.12 41.55 3k1a n ASP 262 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3k1a s THR 263 N -0.28 3.04 0.36 5.18 -4.23 -1.11 -4.94 115.64 113.67 3k1a s THR 263 Ca 0.13 0.70 -0.25 0.00 -1.18 0.00 0.00 61.69 61.09 3k1a s THR 263 Cb 0.43 -3.31 -0.09 0.00 1.34 0.00 0.00 72.50 70.87 3k1a s THR 263 CO -0.11 -0.09 1.03 -2.16 -0.54 0.00 0.00 174.62 172.75 3k1a s PRO 264 N -3.08 4.33 -0.86 3.99 0.04 -1.26 -4.98 135.00 133.18 3k1a s PRO 264 Ca 0.70 1.51 -0.21 0.00 0.04 0.00 0.00 61.00 63.04 3k1a s PRO 264 Cb -0.27 -2.70 0.09 0.00 0.04 0.00 0.00 34.50 31.66 3k1a s PRO 264 CO 0.31 0.01 1.17 0.00 0.04 0.00 0.00 177.00 178.53 3k1a s ALA 265 N -1.58 3.09 -0.04 8.56 0.00 -1.26 -4.77 121.76 125.76 3k1a s ALA 265 Ca 0.54 -2.28 0.06 0.00 0.00 0.00 0.00 51.96 50.28 3k1a s ALA 265 Cb -0.23 -4.13 0.10 0.00 0.00 0.00 0.00 23.12 18.86 3k1a s ALA 265 CO 0.29 -3.10 1.02 -0.40 0.00 0.00 0.00 175.76 173.56 3k1a n ASP 266 N 7.64 0.87 0.00 0.00 5.75 -1.26 -4.99 116.55 124.56 3k1a n ASP 266 Ca 0.17 -2.30 0.00 0.00 -0.01 0.00 0.00 54.79 52.65 3k1a n ASP 266 Cb 0.49 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 3k1a n ASP 266 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k1a n GLY 267 N -0.50 0.56 3.05 6.12 0.00 -1.26 -5.08 105.19 108.06 3k1a n GLY 267 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 3k1a n GLY 267 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3k1a s GLN 268 N -0.74 0.25 -0.22 1.61 -2.07 -1.26 -5.13 119.66 112.10 3k1a s GLN 268 Ca 0.00 0.06 -0.24 0.00 -1.82 0.00 0.00 55.36 53.36 3k1a s GLN 268 Cb 0.00 0.11 -0.01 0.00 -1.09 0.00 0.00 33.01 32.02 3k1a s GLN 268 CO 0.00 -0.04 0.81 0.12 -1.32 0.00 0.00 175.29 174.86 3k1a s PHE 269 N -0.26 3.35 -0.49 9.60 5.36 -1.26 -4.92 117.98 129.36 3k1a s PHE 269 Ca -0.03 1.15 -0.15 0.00 -0.96 0.00 0.00 56.93 56.94 3k1a s PHE 269 Cb -0.03 -3.02 0.10 0.00 -0.34 0.00 0.00 43.02 39.73 3k1a s PHE 269 CO 0.00 -0.33 0.42 1.03 -1.46 0.00 0.00 175.22 174.89 3k1a s ARG 270 N 2.54 2.93 0.10 10.12 0.52 -1.26 -4.96 118.95 128.94 3k1a s ARG 270 Ca 0.35 -1.51 -0.22 0.00 -0.52 0.00 0.00 55.73 53.83 3k1a s ARG 270 Cb -0.16 -4.16 -0.11 0.00 0.52 0.00 0.00 34.95 31.04 3k1a s ARG 270 CO 0.09 -1.14 1.72 1.98 0.02 0.00 0.00 175.30 177.97 3k1a h MET 271 N 8.77 -0.03 -6.38 3.54 1.85 -1.98 -3.43 114.93 117.27 3k1a h MET 271 Ca -0.28 0.00 -0.66 0.00 -0.61 0.00 0.00 59.70 58.15 3k1a h MET 271 Cb 1.10 0.01 -0.13 0.00 0.43 0.00 0.00 31.60 33.01 3k1a h MET 271 CO 0.93 -0.02 -0.68 0.71 -0.40 0.00 0.00 176.91 177.45 3k1a s TYR 272 N -6.19 2.94 -0.27 1.39 2.02 -1.26 -4.88 117.35 111.09 3k1a s TYR 272 Ca -0.13 -0.05 -0.21 0.00 -0.37 0.00 0.00 57.07 56.31 3k1a s TYR 272 Cb 0.07 -1.52 0.08 0.00 -0.40 0.00 0.00 41.96 40.18 3k1a s TYR 272 CO 0.67 0.46 0.71 0.00 -1.57 0.00 0.00 175.55 175.82 3k1a s ALA 273 N -1.26 -1.83 0.00 3.71 0.00 -1.26 -4.99 121.76 116.13 3k1a s ALA 273 Ca 0.24 2.22 0.00 0.00 0.00 0.00 0.00 51.96 54.42 3k1a s ALA 273 Cb -0.12 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.70 3k1a s ALA 273 CO 0.16 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.98 3k1a n GLY 274 N 3.46 2.50 0.00 0.00 0.00 -1.26 -3.30 105.19 106.59 3k1a n GLY 274 Ca -0.17 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3k1a n GLY 274 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1a n GLY 275 N 0.00 0.37 3.68 -0.02 0.00 -1.23 -4.10 105.19 103.88 3k1a n GLY 275 Ca 0.00 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 3k1a n GLY 275 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k1a s THR 276 N -2.81 3.71 0.62 2.61 2.01 0.51 -4.27 115.64 118.02 3k1a s THR 276 Ca 0.00 1.04 -0.14 0.00 0.31 0.00 0.00 61.69 62.90 3k1a s THR 276 Cb 0.00 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 3k1a s THR 276 CO 0.00 -0.03 1.05 0.42 -0.69 0.00 0.00 174.62 175.38 3k1a s THR 277 N 2.78 3.94 0.40 -0.82 -4.23 -1.26 -0.82 115.64 115.63 3k1a s THR 277 Ca 0.65 0.82 0.07 0.00 -1.18 0.00 0.00 61.69 62.06 3k1a s THR 277 Cb -0.31 -3.42 0.23 0.00 1.34 0.00 0.00 72.50 70.34 3k1a s THR 277 CO 0.26 -0.64 2.00 1.56 -0.54 0.00 0.00 174.62 177.27 3k1a h GLN 278 N 0.10 0.46 -0.37 3.99 4.20 -1.94 -2.58 115.11 118.96 3k1a h GLN 278 Ca -0.46 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.11 3k1a h GLN 278 Cb 1.21 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 3k1a h GLN 278 CO 0.58 0.38 -0.13 0.93 -0.67 0.00 0.00 178.83 179.91 3k1a h GLU 279 N 0.46 0.66 -0.59 1.46 3.07 -1.99 -1.13 114.58 116.53 3k1a h GLU 279 Ca 0.12 -0.22 -0.08 0.00 -0.50 0.00 0.00 59.36 58.68 3k1a h GLU 279 Cb 0.09 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 3k1a h GLU 279 CO -0.01 0.77 0.07 0.93 -1.40 0.00 0.00 179.01 179.37 3k1a h GLU 280 N 0.60 0.99 -0.54 2.33 5.08 -1.85 -1.87 114.58 119.32 3k1a h GLU 280 Ca 0.10 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 58.07 3k1a h GLU 280 Cb 0.58 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3k1a h GLU 280 CO 0.04 0.95 -0.11 0.52 -1.00 0.00 0.00 179.01 179.41 3k1a h MET 281 N 0.88 1.04 -0.31 2.33 2.86 -1.27 -0.87 114.93 119.59 3k1a h MET 281 Ca 0.17 -0.39 -0.05 0.00 -2.06 0.00 0.00 59.70 57.38 3k1a h MET 281 Cb 0.46 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 3k1a h MET 281 CO 0.02 1.08 -0.04 0.87 1.06 0.00 0.00 176.91 179.90 3k1a h LYS 282 N 0.91 0.48 0.00 1.72 1.57 -1.15 -3.06 116.57 117.05 3k1a h LYS 282 Ca 0.14 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3k1a h LYS 282 Cb 0.68 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3k1a h LYS 282 CO 0.05 0.54 -0.65 -3.47 -0.57 0.00 0.00 179.45 175.35 3k1a n ASP 283 N -4.27 0.62 -0.31 0.86 2.03 -0.71 -4.51 116.55 110.26 3k1a n ASP 283 Ca 0.01 -0.04 0.12 0.00 0.52 0.00 0.00 54.79 55.41 3k1a n ASP 283 Cb 0.26 0.29 0.30 0.00 -0.72 0.00 0.00 41.12 41.24 3k1a n ASP 283 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3k1a h ALA 284 N 2.66 1.45 0.00 -1.67 0.00 -1.05 0.27 119.26 120.92 3k1a h ALA 284 Ca 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3k1a h ALA 284 Cb 0.67 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3k1a h ALA 284 CO 0.00 -0.26 -0.00 -1.35 0.00 0.00 0.00 179.25 177.64 3k1a h PRO 285 N 0.49 0.00 0.00 0.00 0.11 -1.81 -1.55 132.00 129.25 3k1a h PRO 285 Ca 0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.66 3k1a h PRO 285 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3k1a h PRO 285 CO -0.48 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.40 3k1a n ASN 286 N -3.11 0.00 -4.72 -2.05 5.03 0.08 -4.19 115.26 106.30 3k1a n ASN 286 Ca -0.03 0.11 -0.32 0.00 0.87 0.00 0.00 54.58 55.22 3k1a n ASN 286 Cb 0.10 -0.35 0.12 0.00 -1.02 0.00 0.00 39.78 38.63 3k1a n ASN 286 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3k1a s ALA 287 N -2.69 1.93 0.23 5.41 0.00 -0.58 -1.02 121.76 125.03 3k1a s ALA 287 Ca 0.19 0.53 -0.07 0.00 0.00 0.00 0.00 51.96 52.61 3k1a s ALA 287 Cb 0.15 -3.38 0.20 0.00 0.00 0.00 0.00 23.12 20.09 3k1a s ALA 287 CO 0.37 -2.16 1.85 -0.07 0.00 0.00 0.00 175.76 175.75 3k1a h LEU 288 N -1.19 1.12 -7.48 0.00 3.38 -0.71 -0.19 115.31 110.25 3k1a h LEU 288 Ca -0.44 -0.11 0.24 0.00 0.09 0.00 0.00 57.88 57.65 3k1a h LEU 288 Cb 1.26 -0.29 -0.10 0.00 0.09 0.00 0.00 40.66 41.62 3k1a h LEU 288 CO 0.47 0.91 0.62 0.21 0.09 0.00 0.00 178.44 180.74 3k1a s ASN 289 N -6.25 -0.13 -0.08 -0.43 3.84 -1.26 -4.59 114.94 106.04 3k1a s ASN 289 Ca -0.13 -0.29 0.04 0.00 0.21 0.00 0.00 52.86 52.69 3k1a s ASN 289 Cb 0.17 0.36 0.00 0.00 -0.55 0.00 0.00 41.25 41.23 3k1a s ASN 289 CO 0.83 -0.66 -0.20 -0.89 -2.79 0.00 0.00 177.10 173.39 3k1a s THR 290 N -2.94 1.74 -0.19 -5.21 2.01 -1.26 -1.50 115.64 108.28 3k1a s THR 290 Ca 0.13 -0.84 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 3k1a s THR 290 Cb 0.01 -1.52 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 3k1a s THR 290 CO -0.00 0.49 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.70 3k1a s VAL 291 N 0.39 3.74 -0.39 3.82 1.01 0.54 -4.16 120.40 125.35 3k1a s VAL 291 Ca -0.16 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 3k1a s VAL 291 Cb -0.17 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.55 3k1a s VAL 291 CO 0.07 0.45 0.41 -0.76 0.00 0.00 0.00 175.10 175.27 3k1a s LEU 292 N 0.87 4.74 0.48 3.92 1.43 -1.26 -1.24 118.68 127.62 3k1a s LEU 292 Ca -0.00 -0.54 0.27 0.00 -1.03 0.00 0.00 54.13 52.83 3k1a s LEU 292 Cb -0.14 -2.37 1.11 0.00 0.03 0.00 0.00 46.19 44.82 3k1a s LEU 292 CO 0.02 -0.50 1.90 -0.07 0.23 0.00 0.00 176.35 177.93 3k1a h LEU 293 N 8.94 0.00 -6.16 1.79 3.38 -1.43 -3.34 115.31 118.50 3k1a h LEU 293 Ca -0.27 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.12 3k1a h LEU 293 Cb 1.12 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.48 3k1a h LEU 293 CO 0.76 0.16 -0.99 0.00 0.09 0.00 0.00 178.44 178.47 3k1a n GLN 294 N -3.37 0.88 0.26 1.13 6.02 -1.26 -4.01 117.38 117.04 3k1a n GLN 294 Ca -0.00 -3.46 0.12 0.00 -0.01 0.00 0.00 57.00 53.65 3k1a n GLN 294 Cb 0.37 -1.50 0.70 0.00 1.02 0.00 0.00 30.24 30.84 3k1a n GLN 294 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3k1a h PRO 295 N 4.45 0.00 0.00 -1.09 0.13 -1.86 -2.98 132.00 130.65 3k1a h PRO 295 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3k1a h PRO 295 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3k1a h PRO 295 CO 0.50 0.12 0.00 -1.49 -0.23 0.00 0.00 178.00 176.90 3k1a h TRP 296 N 0.00 0.00 -0.07 1.56 4.06 -1.94 -2.49 115.95 117.07 3k1a h TRP 296 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3k1a h TRP 296 Cb 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.48 3k1a h TRP 296 CO 0.00 0.00 0.00 -2.39 -3.56 0.00 0.00 178.44 172.49 3k1a n HIS 297 N -2.51 0.23 -1.99 0.49 1.44 -1.13 -4.71 115.22 107.05 3k1a n HIS 297 Ca 0.03 -0.91 -0.14 0.00 -2.01 0.00 0.00 57.72 54.69 3k1a n HIS 297 Cb 0.33 -0.18 0.07 0.00 0.12 0.00 0.00 29.99 30.34 3k1a n HIS 297 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3k1a n LEU 298 N -1.08 3.99 0.01 2.39 4.77 -0.94 -4.34 117.00 121.81 3k1a n LEU 298 Ca 0.16 -4.32 -0.13 0.00 -0.03 0.00 0.00 56.01 51.69 3k1a n LEU 298 Cb 0.66 -0.32 -0.09 0.00 -2.33 0.00 0.00 43.42 41.35 3k1a n LEU 298 CO 0.04 1.80 0.74 -0.33 -1.33 0.00 0.00 177.39 178.32 3k1a h GLU 299 N 1.88 0.00 -0.34 3.23 4.39 -1.84 -1.36 114.58 120.53 3k1a h GLU 299 Ca 0.22 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 3k1a h GLU 299 Cb 1.39 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.03 3k1a h GLU 299 CO 0.50 0.26 0.16 -0.22 -1.16 0.00 0.00 179.01 178.55 3k1a h LYS 300 N -0.26 0.50 -0.99 2.33 3.64 -1.91 -1.61 116.57 118.28 3k1a h LYS 300 Ca 0.00 -0.08 0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3k1a h LYS 300 Cb 0.26 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 3k1a h LYS 300 CO 0.00 0.47 0.65 1.15 -2.27 0.00 0.00 179.45 179.45 3k1a h THR 301 N 0.42 1.16 -0.19 1.00 2.02 -1.79 -2.14 112.91 113.39 3k1a h THR 301 Ca 0.12 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 3k1a h THR 301 Cb 0.14 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.36 3k1a h THR 301 CO -0.01 0.23 0.10 0.50 0.37 0.00 0.00 175.52 176.70 3k1a h LYS 302 N 1.24 0.26 -0.96 6.66 3.64 -0.76 -0.49 116.57 126.15 3k1a h LYS 302 Ca 0.40 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3k1a h LYS 302 Cb 0.02 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 3k1a h LYS 302 CO -0.13 0.26 0.60 0.87 -2.27 0.00 0.00 179.45 178.78 3k1a h LYS 303 N 0.19 1.30 -0.09 1.90 1.57 -0.99 0.18 116.57 120.63 3k1a h LYS 303 Ca 0.07 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3k1a h LYS 303 Cb 0.08 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.11 3k1a h LYS 303 CO -0.01 0.90 -0.05 0.35 -0.57 0.00 0.00 179.45 180.07 3k1a h PHE 304 N 1.33 0.22 -0.68 -1.35 3.57 -1.25 0.25 116.94 119.02 3k1a h PHE 304 Ca 0.35 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.82 3k1a h PHE 304 Cb -0.08 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 3k1a h PHE 304 CO 0.00 0.57 0.43 0.28 -2.23 0.00 0.00 178.31 177.36 3k1a h VAL 305 N -0.19 1.10 -0.13 1.41 2.07 -0.89 0.23 116.25 119.85 3k1a h VAL 305 Ca 0.02 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 67.14 3k1a h VAL 305 Cb 0.51 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3k1a h VAL 305 CO 0.01 0.15 -0.33 -0.33 0.02 0.00 0.00 177.57 177.10 3k1a h GLU 306 N 0.85 0.46 -0.09 1.57 5.08 -0.99 -2.09 114.58 119.37 3k1a h GLU 306 Ca 0.27 -0.32 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 3k1a h GLU 306 Cb -0.00 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3k1a h GLU 306 CO -0.10 0.93 -0.69 0.78 -1.00 0.00 0.00 179.01 178.93 3k1a h GLY 307 N 0.06 0.43 0.00 -3.84 0.00 -0.25 -3.07 103.07 96.40 3k1a h GLY 307 Ca -0.00 -0.59 -0.19 0.00 0.00 0.00 0.00 47.33 46.55 3k1a h GLY 307 CO 0.07 0.53 -1.48 2.41 0.00 0.00 0.00 176.54 178.07 3k1a n THR 308 N -3.86 1.17 0.24 4.70 -1.04 0.79 -4.66 114.28 111.63 3k1a n THR 308 Ca -0.04 -0.06 0.12 0.00 -2.04 0.00 0.00 64.05 62.03 3k1a n THR 308 Cb 0.68 -1.89 0.47 0.00 -1.82 0.00 0.00 70.33 67.77 3k1a n THR 308 CO 0.00 0.00 0.00 -0.50 -0.64 0.00 0.00 175.07 173.93 3k1a h TRP 309 N -0.66 0.00 -3.21 -1.42 6.55 -1.50 -3.47 115.95 112.25 3k1a h TRP 309 Ca -0.28 0.00 -0.29 0.00 0.95 0.00 0.00 58.89 59.27 3k1a h TRP 309 Cb 1.11 0.00 0.04 0.00 -0.86 0.00 0.00 29.16 29.45 3k1a h TRP 309 CO -0.15 0.13 -0.43 1.63 -1.05 0.00 0.00 178.44 178.58 3k1a n LYS 310 N -3.23 -3.32 -3.26 0.49 4.76 -0.82 -4.85 118.16 107.94 3k1a n LYS 310 Ca 0.01 0.65 -0.38 0.00 -2.87 0.00 0.00 58.31 55.71 3k1a n LYS 310 Cb 0.42 -4.95 -0.06 0.00 -1.84 0.00 0.00 35.03 28.60 3k1a n LYS 310 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3k1a s HIS 311 N -2.97 3.62 -1.19 2.13 3.76 -1.13 -5.01 115.29 114.51 3k1a s HIS 311 Ca 0.20 1.08 -0.14 0.00 -0.15 0.00 0.00 55.06 56.05 3k1a s HIS 311 Cb -0.09 -2.57 0.16 0.00 1.11 0.00 0.00 32.58 31.19 3k1a s HIS 311 CO 0.25 0.30 1.42 -1.83 -0.85 0.00 0.00 174.74 174.03 3k1a s GLU 312 N 0.06 4.05 -0.13 1.40 -1.05 -1.26 -4.11 118.70 117.66 3k1a s GLU 312 Ca 0.29 -2.50 -0.36 0.00 -0.15 0.00 0.00 54.97 52.25 3k1a s GLU 312 Cb -0.17 -5.07 -0.13 0.00 -0.44 0.00 0.00 34.13 28.32 3k1a s GLU 312 CO 0.15 -1.79 1.83 0.28 0.95 0.00 0.00 175.26 176.68 3k1a n VAL 313 N 4.74 0.48 -2.17 1.83 0.31 -1.26 -4.87 118.33 117.40 3k1a n VAL 313 Ca 0.36 -0.09 -0.38 0.00 -0.01 0.00 0.00 64.34 64.22 3k1a n VAL 313 Cb 0.43 -1.68 -0.01 0.00 -0.91 0.00 0.00 33.84 31.68 3k1a n VAL 313 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3k1a s PRO 314 N 3.76 3.83 -0.86 5.55 0.02 -1.26 -4.92 135.00 141.13 3k1a s PRO 314 Ca 0.94 1.94 -0.25 0.00 0.02 0.00 0.00 61.00 63.64 3k1a s PRO 314 Cb -0.79 -2.56 0.04 0.00 0.02 0.00 0.00 34.50 31.20 3k1a s PRO 314 CO 0.55 -0.53 1.39 0.21 -0.33 0.00 0.00 177.00 178.28 3k1a s LYS 315 N -2.48 3.33 -0.04 5.54 2.47 -1.26 -4.82 119.74 122.48 3k1a s LYS 315 Ca 0.61 -0.60 0.03 0.00 -1.56 0.00 0.00 55.97 54.45 3k1a s LYS 315 Cb -0.33 -4.72 0.00 0.00 -1.46 0.00 0.00 37.83 31.32 3k1a s LYS 315 CO 0.41 -2.23 -0.14 -0.51 0.16 0.00 0.00 175.35 173.05 3k1a s LEU 316 N 5.62 1.83 0.84 5.43 1.43 -1.26 -5.12 118.68 127.44 3k1a s LEU 316 Ca 0.42 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.12 3k1a s LEU 316 Cb -0.05 -0.81 0.09 0.00 0.03 0.00 0.00 46.19 45.46 3k1a s LEU 316 CO 0.04 0.10 1.09 0.20 0.23 0.00 0.00 176.35 178.01 3k1a s ASN 317 N 0.20 3.99 0.15 2.29 -0.87 -1.26 -4.75 114.94 114.69 3k1a s ASN 317 Ca -0.05 1.59 -0.34 0.00 -1.57 0.00 0.00 52.86 52.49 3k1a s ASN 317 Cb -0.11 -2.29 -0.15 0.00 -0.02 0.00 0.00 41.25 38.68 3k1a s ASN 317 CO 0.02 -2.33 1.41 0.00 -2.57 0.00 0.00 177.10 173.63 3k1a n ILE 318 N -3.69 0.29 -1.91 0.60 3.06 -1.26 -4.81 119.36 111.64 3k1a n ILE 318 Ca 0.08 -0.07 -0.33 0.00 -2.50 0.00 0.00 62.75 59.93 3k1a n ILE 318 Cb 0.54 -1.20 -0.06 0.00 0.54 0.00 0.00 39.64 39.47 3k1a n ILE 318 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 3k1a n PRO 319 N 2.65 1.71 -4.54 9.51 -0.04 -1.26 -4.76 135.00 138.26 3k1a n PRO 319 Ca 0.16 -2.40 -0.22 0.00 -0.04 0.00 0.00 63.50 61.00 3k1a n PRO 319 Cb 0.26 -3.54 -0.16 0.00 -0.04 0.00 0.00 33.50 30.02 3k1a n PRO 319 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3k1a s MET 320 N 5.97 1.23 0.79 0.54 -1.94 -1.26 -1.14 119.30 123.49 3k1a s MET 320 Ca 0.65 -0.41 0.00 0.00 -1.71 0.00 0.00 55.69 54.22 3k1a s MET 320 Cb 0.03 -1.11 0.00 0.00 2.01 0.00 0.00 34.83 35.75 3k1a s MET 320 CO 0.13 0.17 0.00 0.41 -0.01 0.00 0.00 175.02 175.71 3k1a n GLY 321 N 3.21 -2.13 0.21 -0.03 0.00 -1.26 -4.14 105.19 101.04 3k1a n GLY 321 Ca -0.18 -1.45 -0.07 0.00 0.00 0.00 0.00 46.02 44.32 3k1a n GLY 321 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k1a h LEU 322 N 0.00 -0.38 -0.05 0.99 5.85 -1.94 -3.08 115.31 116.70 3k1a h LEU 322 Ca 0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3k1a h LEU 322 Cb 0.00 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3k1a h LEU 322 CO 0.00 0.05 -0.04 0.44 -0.34 0.00 0.00 178.44 178.55 3k1a h ASP 323 N -1.10 -0.12 1.04 1.25 5.19 -1.98 -2.02 116.42 118.69 3k1a h ASP 323 Ca -0.05 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.37 3k1a h ASP 323 Cb 0.35 0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.91 3k1a h ASP 323 CO 0.08 -0.05 -0.11 -0.50 -3.12 0.00 0.00 179.24 175.53 3k1a h TRP 324 N -0.04 0.00 -0.03 4.55 6.55 -1.73 -0.73 115.95 124.51 3k1a h TRP 324 Ca 0.03 0.00 -0.23 0.00 0.95 0.00 0.00 58.89 59.64 3k1a h TRP 324 Cb 0.09 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 28.41 3k1a h TRP 324 CO -0.14 0.11 -0.88 1.15 -1.05 0.00 0.00 178.44 177.63 3k1a h THR 325 N 0.00 1.31 -0.06 1.49 2.02 -1.41 -1.99 112.91 114.27 3k1a h THR 325 Ca -0.00 -2.14 0.02 0.00 0.77 0.00 0.00 66.41 65.06 3k1a h THR 325 Cb 0.66 2.34 -0.03 0.00 -1.74 0.00 0.00 68.15 69.39 3k1a h THR 325 CO 0.01 0.66 -0.09 0.44 0.37 0.00 0.00 175.52 176.91 3k1a h ASP 326 N 0.31 -0.27 -0.43 4.18 3.32 -0.88 -0.95 116.42 121.70 3k1a h ASP 326 Ca -0.10 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.05 3k1a h ASP 326 Cb 1.54 0.13 -0.05 0.00 0.22 0.00 0.00 39.33 41.18 3k1a h ASP 326 CO 0.18 -0.12 0.16 -0.33 -1.72 0.00 0.00 179.24 177.40 3k1a h GLU 327 N -0.13 0.33 -0.10 3.56 5.08 -1.22 0.72 114.58 122.83 3k1a h GLU 327 Ca 0.05 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3k1a h GLU 327 Cb 0.20 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3k1a h GLU 327 CO -0.13 0.22 -0.10 0.35 -1.00 0.00 0.00 179.01 178.34 3k1a h PHE 328 N 0.34 -0.25 -0.51 4.33 3.57 -1.13 -0.81 116.94 122.48 3k1a h PHE 328 Ca 0.20 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.61 3k1a h PHE 328 Cb 0.18 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 3k1a h PHE 328 CO -0.14 -0.15 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.62 3k1a h LEU 329 N -0.13 0.91 -0.64 0.59 3.38 -0.79 -1.27 115.31 117.37 3k1a h LEU 329 Ca 0.07 -0.28 -0.12 0.00 0.09 0.00 0.00 57.88 57.64 3k1a h LEU 329 Cb 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3k1a h LEU 329 CO -0.17 1.03 -0.24 0.24 0.09 0.00 0.00 178.44 179.38 3k1a h MET 330 N 0.83 0.81 -0.06 1.13 2.86 -0.75 -0.89 114.93 118.85 3k1a h MET 330 Ca 0.14 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 3k1a h MET 330 Cb 0.62 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 3k1a h MET 330 CO 0.04 0.96 0.00 -0.22 1.06 0.00 0.00 176.91 178.76 3k1a h LYS 331 N 0.70 0.10 -0.86 1.72 1.63 -1.01 -1.97 116.57 116.87 3k1a h LYS 331 Ca 0.09 -0.03 0.12 0.00 -0.85 0.00 0.00 60.65 59.98 3k1a h LYS 331 Cb 0.77 -0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 32.30 3k1a h LYS 331 CO 0.06 0.36 0.49 0.28 -3.45 0.00 0.00 179.45 177.19 3k1a h VAL 332 N -0.17 0.85 -0.49 2.00 2.07 -1.18 -1.57 116.25 117.76 3k1a h VAL 332 Ca 0.02 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3k1a h VAL 332 Cb 0.31 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 3k1a h VAL 332 CO 0.00 0.14 0.29 -1.28 0.02 0.00 0.00 177.57 176.74 3k1a h SER 333 N 0.77 0.60 -0.13 0.57 0.87 -1.06 -0.66 113.55 114.51 3k1a h SER 333 Ca 0.44 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.92 3k1a h SER 333 Cb 0.48 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 3k1a h SER 333 CO -0.29 0.49 0.06 -0.08 -0.53 0.00 0.00 176.83 176.49 3k1a h GLU 334 N 0.65 0.19 -0.34 2.24 4.81 -0.77 0.27 114.58 121.63 3k1a h GLU 334 Ca 0.18 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 3k1a h GLU 334 Cb 0.01 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3k1a h GLU 334 CO -0.03 0.24 0.05 0.82 -0.73 0.00 0.00 179.01 179.36 3k1a h ILE 335 N 0.09 1.24 0.00 2.32 2.04 -1.23 -3.25 117.51 118.72 3k1a h ILE 335 Ca 0.05 -0.83 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 3k1a h ILE 335 Cb 0.12 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3k1a h ILE 335 CO -0.01 0.28 -0.74 0.77 0.00 0.00 0.00 178.15 178.45 3k1a h SER 336 N 0.40 0.00 -0.12 1.72 4.64 -1.11 -3.48 113.55 115.61 3k1a h SER 336 Ca 0.10 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.37 3k1a h SER 336 Cb 0.36 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 3k1a h SER 336 CO 0.01 0.25 -0.05 0.61 -0.87 0.00 0.00 176.83 176.78 3k1a n GLY 337 N 1.22 0.53 3.83 -0.77 0.00 0.92 -5.02 105.19 105.90 3k1a n GLY 337 Ca -0.01 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 3k1a n GLY 337 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k1a s GLN 338 N -1.35 3.93 0.44 1.61 -1.52 -1.15 -5.03 119.66 116.60 3k1a s GLN 338 Ca 0.00 0.37 -0.21 0.00 -1.95 0.00 0.00 55.36 53.57 3k1a s GLN 338 Cb 0.00 -3.24 -0.10 0.00 -0.22 0.00 0.00 33.01 29.45 3k1a s GLN 338 CO 0.00 0.64 0.99 -1.25 -0.25 0.00 0.00 175.29 175.43 3k1a s PRO 339 N -0.90 4.07 -0.17 2.91 0.05 -1.26 -4.47 135.00 135.23 3k1a s PRO 339 Ca 0.23 1.26 -0.29 0.00 0.05 0.00 0.00 61.00 62.25 3k1a s PRO 339 Cb -0.16 -2.21 -0.03 0.00 0.05 0.00 0.00 34.50 32.15 3k1a s PRO 339 CO 0.12 -0.18 1.53 0.42 0.05 0.00 0.00 177.00 178.93 3k1a s ILE 340 N -2.03 3.83 0.90 0.56 1.01 -1.26 -4.85 121.20 119.36 3k1a s ILE 340 Ca 0.63 0.97 -0.12 0.00 0.00 0.00 0.00 60.65 62.13 3k1a s ILE 340 Cb -0.13 -3.73 0.13 0.00 0.01 0.00 0.00 42.46 38.73 3k1a s ILE 340 CO 0.17 -0.21 1.09 -2.16 0.00 0.00 0.00 174.94 173.84 3k1a s PRO 341 N 4.20 1.22 0.48 2.79 0.04 -1.26 -4.85 135.00 137.62 3k1a s PRO 341 Ca 0.67 0.75 0.15 0.00 0.04 0.00 0.00 61.00 62.61 3k1a s PRO 341 Cb -0.26 -1.81 1.11 0.00 0.04 0.00 0.00 34.50 33.58 3k1a s PRO 341 CO 0.26 -2.24 2.06 0.00 0.04 0.00 0.00 177.00 177.11 3k1a h ALA 342 N -1.55 1.83 -0.43 8.56 0.00 -1.96 -2.59 119.26 123.12 3k1a h ALA 342 Ca -0.50 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 3k1a h ALA 342 Cb 1.29 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3k1a h ALA 342 CO 0.56 0.13 0.17 0.66 0.00 0.00 0.00 179.25 180.77 3k1a h SER 343 N 0.02 0.60 0.37 0.00 4.64 -1.97 -0.70 113.55 116.52 3k1a h SER 343 Ca 0.00 -0.17 -0.14 0.00 -0.47 0.00 0.00 61.79 61.02 3k1a h SER 343 Cb 0.17 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3k1a h SER 343 CO 0.01 0.61 -0.58 -0.07 -0.87 0.00 0.00 176.83 175.92 3k1a h LEU 344 N 0.56 0.24 -0.31 5.97 3.38 -1.87 -1.83 115.31 121.45 3k1a h LEU 344 Ca 0.14 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3k1a h LEU 344 Cb 0.19 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3k1a h LEU 344 CO -0.01 0.77 0.13 0.74 0.09 0.00 0.00 178.44 180.16 3k1a h THR 345 N 0.16 1.18 -0.20 0.22 2.02 -1.23 -1.67 112.91 113.39 3k1a h THR 345 Ca -0.00 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.65 3k1a h THR 345 Cb 1.07 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 3k1a h THR 345 CO 0.09 0.18 0.13 0.50 0.37 0.00 0.00 175.52 176.79 3k1a h LYS 346 N 0.36 0.26 -0.91 6.66 3.64 -1.08 -2.26 116.57 123.24 3k1a h LYS 346 Ca 0.10 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.54 3k1a h LYS 346 Cb 0.17 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.86 3k1a h LYS 346 CO -0.01 0.19 0.57 1.49 -2.27 0.00 0.00 179.45 179.42 3k1a h GLU 347 N 0.26 0.97 -0.57 1.90 4.81 -1.24 0.71 114.58 121.41 3k1a h GLU 347 Ca 0.07 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3k1a h GLU 347 Cb -0.01 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.11 3k1a h GLU 347 CO -0.02 0.64 0.35 -0.09 -0.73 0.00 0.00 179.01 179.17 3k1a h ARG 348 N 1.00 0.69 -0.03 1.92 2.43 -1.14 -1.93 114.38 117.32 3k1a h ARG 348 Ca 0.41 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.47 3k1a h ARG 348 Cb 0.25 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3k1a h ARG 348 CO -0.20 0.45 -0.34 0.78 -1.51 0.00 0.00 179.97 179.16 3k1a h GLY 349 N 0.71 0.05 1.97 2.80 0.00 -0.56 -1.36 103.07 106.68 3k1a h GLY 349 Ca 0.23 -0.04 -0.16 0.00 0.00 0.00 0.00 47.33 47.36 3k1a h GLY 349 CO -0.09 0.04 -0.75 3.21 0.00 0.00 0.00 176.54 178.95 3k1a h ARG 350 N 0.04 0.03 -0.18 4.80 3.08 -0.64 0.43 114.38 121.94 3k1a h ARG 350 Ca 0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3k1a h ARG 350 Cb 0.62 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 3k1a h ARG 350 CO 0.05 0.77 -0.02 1.25 -1.07 0.00 0.00 179.97 180.95 3k1a h LEU 351 N 0.02 0.32 -0.84 3.04 5.85 -0.96 -1.55 115.31 121.19 3k1a h LEU 351 Ca -0.01 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 3k1a h LEU 351 Cb 1.33 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 3k1a h LEU 351 CO 0.10 0.58 0.43 0.58 -0.34 0.00 0.00 178.44 179.78 3k1a h VAL 352 N 0.06 1.25 -0.44 1.05 2.07 -1.17 -0.99 116.25 118.08 3k1a h VAL 352 Ca 0.05 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 66.93 3k1a h VAL 352 Cb 0.42 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 3k1a h VAL 352 CO 0.01 0.29 0.20 -0.78 0.02 0.00 0.00 177.57 177.32 3k1a h ASP 353 N 1.18 0.27 -0.83 0.57 3.58 -0.83 -1.61 116.42 118.75 3k1a h ASP 353 Ca 0.29 0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.78 3k1a h ASP 353 Cb 0.08 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.07 3k1a h ASP 353 CO -0.04 0.20 0.55 0.24 -2.88 0.00 0.00 179.24 177.30 3k1a h MET 354 N 0.40 1.08 -0.54 0.28 2.86 -0.79 -1.73 114.93 116.48 3k1a h MET 354 Ca 0.19 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 3k1a h MET 354 Cb 0.13 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 3k1a h MET 354 CO -0.15 0.71 0.29 0.52 1.06 0.00 0.00 176.91 179.34 3k1a h MET 355 N 1.11 0.75 0.03 1.72 2.86 -0.66 -2.06 114.93 118.68 3k1a h MET 355 Ca 0.31 -0.08 -0.23 0.00 -2.06 0.00 0.00 59.70 57.64 3k1a h MET 355 Cb -0.12 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.39 3k1a h MET 355 CO -0.07 0.56 -0.98 1.79 1.06 0.00 0.00 176.91 179.27 3k1a h THR 356 N 0.76 1.46 -0.40 2.22 1.35 -0.97 -2.22 112.91 115.10 3k1a h THR 356 Ca 0.19 -2.65 -0.07 0.00 -0.55 0.00 0.00 66.41 63.33 3k1a h THR 356 Cb 0.04 2.55 -0.02 0.00 -1.73 0.00 0.00 68.15 68.99 3k1a h THR 356 CO -0.03 0.78 -0.03 0.44 -0.25 0.00 0.00 175.52 176.43 3k1a h ASP 357 N 0.15 0.62 -0.02 5.36 3.32 -1.04 -3.31 116.42 121.51 3k1a h ASP 357 Ca -0.08 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.83 3k1a h ASP 357 Cb 1.64 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 41.02 3k1a h ASP 357 CO 0.16 0.71 -0.15 -1.20 -1.72 0.00 0.00 179.24 177.04 3k1a n SER 358 N -4.23 1.92 0.21 6.45 7.64 -0.80 -4.68 113.62 120.13 3k1a n SER 358 Ca 0.02 -1.46 0.10 0.00 1.01 0.00 0.00 58.87 58.54 3k1a n SER 358 Cb 0.29 0.23 0.65 0.00 -1.01 0.00 0.00 64.21 64.36 3k1a n SER 358 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 3k1a h HIS 359 N 2.36 0.01 -0.12 1.43 2.07 -1.49 -2.59 115.15 116.81 3k1a h HIS 359 Ca 0.00 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.37 3k1a h HIS 359 Cb 0.57 -0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.54 3k1a h HIS 359 CO 0.00 0.00 -0.57 1.79 -3.07 0.00 0.00 177.93 176.08 3k1a h THR 360 N 0.01 1.35 0.00 6.12 1.35 -1.85 -0.75 112.91 119.13 3k1a h THR 360 Ca 0.04 -1.87 -0.19 0.00 -0.55 0.00 0.00 66.41 63.83 3k1a h THR 360 Cb 0.16 1.88 -0.03 0.00 -1.73 0.00 0.00 68.15 68.44 3k1a h THR 360 CO -0.00 0.57 -0.93 -0.50 -0.25 0.00 0.00 175.52 174.41 3k1a h TRP 361 N 0.29 0.00 0.00 4.73 4.06 -1.83 -3.31 115.95 119.89 3k1a h TRP 361 Ca 0.00 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.80 3k1a h TRP 361 Cb 1.09 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.23 3k1a h TRP 361 CO 0.03 0.91 -0.78 -0.07 -3.56 0.00 0.00 178.44 174.98 3k1a h LEU 362 N 0.00 0.00 -9.55 -4.49 3.38 -1.37 -3.45 115.31 99.83 3k1a h LEU 362 Ca -0.02 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.43 3k1a h LEU 362 Cb 1.71 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.50 3k1a h LEU 362 CO 0.12 0.66 1.09 -2.28 0.09 0.00 0.00 178.44 178.12 3k1a s HIS 363 N -2.88 2.33 0.00 1.13 2.46 -0.30 -1.96 115.29 116.06 3k1a s HIS 363 Ca 0.02 0.05 0.00 0.00 0.47 0.00 0.00 55.06 55.61 3k1a s HIS 363 Cb 0.08 -4.18 0.00 0.00 -0.13 0.00 0.00 32.58 28.35 3k1a s HIS 363 CO 0.78 -4.77 0.00 0.41 -2.47 0.00 0.00 174.74 168.68 3k1a n GLY 364 N 4.18 1.03 3.76 1.59 0.00 0.43 -4.99 105.19 111.19 3k1a n GLY 364 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3k1a n GLY 364 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1a s LYS 365 N -0.18 4.24 -0.17 1.61 -0.14 -0.83 -4.54 119.74 119.74 3k1a s LYS 365 Ca 0.00 2.37 -0.06 0.00 -1.36 0.00 0.00 55.97 56.92 3k1a s LYS 365 Cb 0.00 -3.07 -0.04 0.00 -1.68 0.00 0.00 37.83 33.05 3k1a s LYS 365 CO 0.00 -0.42 0.03 1.03 -0.76 0.00 0.00 175.35 175.23 3k1a s ARG 366 N -0.94 3.82 -0.03 1.68 0.52 -1.26 -1.06 118.95 121.69 3k1a s ARG 366 Ca 0.57 -0.39 0.04 0.00 -0.52 0.00 0.00 55.73 55.43 3k1a s ARG 366 Cb -0.43 -3.10 -0.01 0.00 0.52 0.00 0.00 34.95 31.93 3k1a s ARG 366 CO 0.49 0.30 -0.15 -0.06 0.02 0.00 0.00 175.30 175.90 3k1a s PHE 367 N 0.25 1.46 -0.15 -0.53 0.40 -0.62 -0.32 117.98 118.48 3k1a s PHE 367 Ca 0.02 -0.34 -0.13 0.00 -0.60 0.00 0.00 56.93 55.87 3k1a s PHE 367 Cb -0.13 -0.97 -0.05 0.00 0.51 0.00 0.00 43.02 42.39 3k1a s PHE 367 CO 0.01 -0.09 0.28 0.00 0.70 0.00 0.00 175.22 176.12 3k1a s ALA 368 N -0.14 3.63 0.05 5.36 0.00 -0.44 -1.47 121.76 128.75 3k1a s ALA 368 Ca 0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 51.96 51.48 3k1a s ALA 368 Cb -0.08 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.66 3k1a s ALA 368 CO 0.01 0.17 0.03 -0.48 0.00 0.00 0.00 175.76 175.49 3k1a s LEU 369 N 0.22 2.15 0.31 0.00 -0.00 0.60 -0.38 118.68 121.59 3k1a s LEU 369 Ca 0.16 -0.82 -0.09 0.00 -0.00 0.00 0.00 54.13 53.39 3k1a s LEU 369 Cb -0.13 0.42 0.01 0.00 -0.00 0.00 0.00 46.19 46.49 3k1a s LEU 369 CO 0.04 -0.59 0.52 -1.66 -0.00 0.00 0.00 176.35 174.67 3k1a s TRP 370 N -3.52 0.63 -5.00 3.48 -2.14 -1.07 -1.07 118.94 110.24 3k1a s TRP 370 Ca 0.03 -0.98 0.00 0.00 2.66 0.00 0.00 56.10 57.81 3k1a s TRP 370 Cb 0.05 0.17 0.00 0.00 -3.10 0.00 0.00 33.47 30.59 3k1a s TRP 370 CO -0.09 -1.15 0.00 0.41 -2.66 0.00 0.00 176.95 173.47 3k1a n GLY 371 N -0.48 0.58 3.86 3.67 0.00 -1.21 -4.70 105.19 106.90 3k1a n GLY 371 Ca -0.02 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 3k1a n GLY 371 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k1a s ASP 372 N -4.00 6.52 0.20 1.61 1.01 -1.26 -4.48 116.67 116.26 3k1a s ASP 372 Ca 0.00 1.37 -0.16 0.00 0.71 0.00 0.00 52.55 54.47 3k1a s ASP 372 Cb 0.00 -2.43 0.19 0.00 1.01 0.00 0.00 42.92 41.69 3k1a s ASP 372 CO 0.00 -0.56 1.63 -0.65 0.21 0.00 0.00 175.17 175.80 3k1a h PRO 373 N 0.84 -0.05 -0.19 8.23 0.11 -1.96 0.28 132.00 139.26 3k1a h PRO 373 Ca -0.47 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 3k1a h PRO 373 Cb 1.19 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3k1a h PRO 373 CO 0.62 -0.03 -0.19 -0.44 -0.21 0.00 0.00 178.00 177.76 3k1a h ASP 374 N -0.05 0.50 -0.66 -2.05 3.32 -1.94 -1.92 116.42 113.62 3k1a h ASP 374 Ca 0.27 -0.47 0.03 0.00 0.02 0.00 0.00 57.03 56.87 3k1a h ASP 374 Cb 0.46 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 3k1a h ASP 374 CO -0.61 0.87 0.40 0.15 -1.72 0.00 0.00 179.24 178.34 3k1a h PHE 375 N 0.14 0.75 -0.29 4.55 3.57 -1.85 -2.24 116.94 121.58 3k1a h PHE 375 Ca 0.03 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 3k1a h PHE 375 Cb 0.73 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3k1a h PHE 375 CO 0.08 0.42 -0.10 0.28 -2.23 0.00 0.00 178.31 176.76 3k1a h VAL 376 N 0.79 1.29 -0.26 1.41 2.07 -0.83 -1.54 116.25 119.17 3k1a h VAL 376 Ca 0.27 -1.17 -0.11 0.00 0.82 0.00 0.00 66.70 66.52 3k1a h VAL 376 Cb 0.04 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3k1a h VAL 376 CO -0.11 0.37 -0.29 0.00 0.02 0.00 0.00 177.57 177.56 3k1a h MET 377 N 0.33 0.53 -0.42 1.57 -0.00 -1.32 0.51 114.93 116.12 3k1a h MET 377 Ca 0.07 -0.22 -0.02 0.00 -0.00 0.00 0.00 59.70 59.53 3k1a h MET 377 Cb 0.60 -0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 32.16 3k1a h MET 377 CO 0.03 0.76 0.18 0.78 -0.00 0.00 0.00 176.91 178.67 3k1a h GLY 378 N 1.03 0.67 0.90 -3.00 0.00 -1.31 0.99 103.07 102.36 3k1a h GLY 378 Ca 0.06 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 3k1a h GLY 378 CO 0.06 0.34 0.08 -2.00 0.00 0.00 0.00 176.54 175.01 3k1a h LEU 379 N 0.54 0.48 -0.41 3.11 6.46 -1.05 -0.59 115.31 123.86 3k1a h LEU 379 Ca 0.14 -0.23 0.04 0.00 -0.12 0.00 0.00 57.88 57.71 3k1a h LEU 379 Cb 0.17 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 39.94 3k1a h LEU 379 CO -0.01 0.58 0.19 0.58 -0.62 0.00 0.00 178.44 179.16 3k1a h VAL 380 N 0.35 0.95 -0.03 1.05 2.07 -0.79 0.16 116.25 120.01 3k1a h VAL 380 Ca 0.10 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3k1a h VAL 380 Cb 0.29 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3k1a h VAL 380 CO 0.00 0.07 0.01 0.50 0.02 0.00 0.00 177.57 178.17 3k1a h LYS 381 N 0.39 0.03 -0.81 1.57 1.63 -0.61 -1.82 116.57 116.94 3k1a h LYS 381 Ca 0.18 -0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.93 3k1a h LYS 381 Cb 0.11 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.69 3k1a h LYS 381 CO -0.14 0.02 0.33 0.35 -3.45 0.00 0.00 179.45 176.56 3k1a h PHE 382 N 0.03 1.22 -0.44 1.91 3.57 -0.86 -1.88 116.94 120.49 3k1a h PHE 382 Ca 0.01 -0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.47 3k1a h PHE 382 Cb 0.01 -0.37 -0.04 0.00 2.79 0.00 0.00 35.95 38.34 3k1a h PHE 382 CO -0.09 0.92 0.20 -0.07 -2.23 0.00 0.00 178.31 177.04 3k1a h LEU 383 N 1.18 0.27 -0.83 0.59 3.38 -0.47 -1.04 115.31 118.40 3k1a h LEU 383 Ca 0.27 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.31 3k1a h LEU 383 Cb 0.20 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 3k1a h LEU 383 CO -0.02 0.20 0.52 -0.07 0.09 0.00 0.00 178.44 179.16 3k1a h LEU 384 N 0.41 0.85 -1.72 1.67 3.38 -1.06 0.83 115.31 119.68 3k1a h LEU 384 Ca 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 3k1a h LEU 384 Cb 0.13 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3k1a h LEU 384 CO -0.16 0.58 -0.14 -0.33 0.09 0.00 0.00 178.44 178.48 3k1a h GLU 385 N 1.00 0.00 -0.00 1.13 5.08 -0.58 -1.69 114.58 119.53 3k1a h GLU 385 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3k1a h GLU 385 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3k1a h GLU 385 CO -0.13 0.14 -0.15 1.28 -1.00 0.00 0.00 179.01 179.15 3k1a n LEU 386 N -4.36 0.31 0.00 1.33 4.77 -0.47 -4.93 117.00 113.66 3k1a n LEU 386 Ca -0.03 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3k1a n LEU 386 Cb 0.21 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3k1a n LEU 386 CO 0.36 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3k1a n GLY 387 N 1.38 0.45 3.96 -0.72 0.00 -0.63 -4.51 105.19 105.11 3k1a n GLY 387 Ca 0.11 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 3k1a n GLY 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1a s GLU 389 N -3.95 2.45 -1.26 0.00 2.02 -0.22 -3.97 118.70 113.76 3k1a s GLU 389 Ca 0.36 -1.42 -0.18 0.00 0.02 0.00 0.00 54.97 53.74 3k1a s GLU 389 Cb -0.09 -3.55 0.01 0.00 0.10 0.00 0.00 34.13 30.60 3k1a s GLU 389 CO 0.31 -0.84 1.91 -0.35 0.02 0.00 0.00 175.26 176.30 3k1a n PRO 390 N 4.77 2.64 0.04 0.39 -0.05 -1.26 -1.59 135.00 139.95 3k1a n PRO 390 Ca -0.10 -2.82 -0.12 0.00 -0.05 0.00 0.00 63.50 60.42 3k1a n PRO 390 Cb 0.43 -3.44 -0.06 0.00 -0.05 0.00 0.00 33.50 30.38 3k1a n PRO 390 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 175.50 175.73 3k1a h VAL 391 N 5.21 0.89 -3.75 0.52 2.07 -1.52 -3.39 116.25 116.27 3k1a h VAL 391 Ca 0.43 0.00 -0.68 0.00 0.82 0.00 0.00 66.70 67.27 3k1a h VAL 391 Cb 0.81 0.89 -0.34 0.00 -1.52 0.00 0.00 31.29 31.13 3k1a h VAL 391 CO 1.57 0.00 -0.74 -1.00 0.02 0.00 0.00 177.57 177.42 3k1a s HIS 392 N -6.18 3.23 -0.35 1.57 3.76 -1.02 -1.29 115.29 115.01 3k1a s HIS 392 Ca -0.13 -1.95 -0.05 0.00 -0.15 0.00 0.00 55.06 52.77 3k1a s HIS 392 Cb 0.07 -2.05 0.06 0.00 1.11 0.00 0.00 32.58 31.77 3k1a s HIS 392 CO 0.66 -0.82 0.11 0.42 -0.85 0.00 0.00 174.74 174.26 3k1a s ILE 393 N 1.22 3.52 -0.17 0.60 1.01 -0.55 -0.29 121.20 126.54 3k1a s ILE 393 Ca -0.05 -1.38 -0.01 0.00 0.00 0.00 0.00 60.65 59.20 3k1a s ILE 393 Cb -0.19 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 3k1a s ILE 393 CO -0.03 -0.28 -0.10 -0.22 0.00 0.00 0.00 174.94 174.31 3k1a s LEU 394 N 1.32 2.71 -0.34 2.97 0.20 -0.24 0.10 118.68 125.41 3k1a s LEU 394 Ca -0.01 -0.40 -0.01 0.00 0.69 0.00 0.00 54.13 54.41 3k1a s LEU 394 Cb -0.20 -1.65 0.11 0.00 -0.43 0.00 0.00 46.19 44.02 3k1a s LEU 394 CO 0.00 0.07 0.15 0.00 -0.29 0.00 0.00 176.35 176.29 3k1a h HIS 396 N 7.70 1.10 -0.57 0.00 2.76 -1.79 -1.94 115.15 122.41 3k1a h HIS 396 Ca -0.09 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 57.98 3k1a h HIS 396 Cb 0.99 -0.36 -0.08 0.00 1.55 0.00 0.00 27.41 29.51 3k1a h HIS 396 CO 0.38 0.61 0.17 0.27 -1.30 0.00 0.00 177.93 178.06 3k1a n ASN 397 N -4.53 4.41 -4.93 3.26 6.94 -1.26 -3.20 115.26 115.96 3k1a n ASN 397 Ca 0.13 -2.92 -0.26 0.00 -0.02 0.00 0.00 54.58 51.51 3k1a n ASN 397 Cb 0.13 -0.69 0.02 0.00 -2.36 0.00 0.00 39.78 36.87 3k1a n ASN 397 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3k1a s GLY 398 N -0.69 1.57 0.46 4.83 0.00 -0.73 -4.81 107.32 107.94 3k1a s GLY 398 Ca 0.44 -0.77 0.04 0.00 0.00 0.00 0.00 44.72 44.43 3k1a s GLY 398 CO 0.11 -0.55 0.01 0.54 0.00 0.00 0.00 173.10 173.22 3k1a s ASN 399 N -4.24 3.92 0.20 1.64 2.20 -1.26 -4.49 114.94 112.91 3k1a s ASN 399 Ca 0.51 -1.52 -0.11 0.00 -0.94 0.00 0.00 52.86 50.80 3k1a s ASN 399 Cb -0.10 0.08 0.19 0.00 -2.00 0.00 0.00 41.25 39.41 3k1a s ASN 399 CO 0.43 -0.66 1.80 0.11 -2.94 0.00 0.00 177.10 175.84 3k1a h LYS 400 N 1.58 0.60 -0.55 3.55 1.57 -1.99 -1.25 116.57 120.07 3k1a h LYS 400 Ca -0.44 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.21 3k1a h LYS 400 Cb 1.28 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 3k1a h LYS 400 CO 0.77 0.40 -0.04 0.00 -0.57 0.00 0.00 179.45 180.00 3k1a h ARG 401 N 0.62 0.98 -0.30 3.15 3.08 -1.99 -1.96 114.38 117.95 3k1a h ARG 401 Ca 0.26 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 3k1a h ARG 401 Cb 0.14 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3k1a h ARG 401 CO -0.16 0.99 0.08 2.35 -1.07 0.00 0.00 179.97 182.16 3k1a h TRP 402 N 0.89 0.50 -0.61 3.04 7.01 -1.92 -2.29 115.95 122.57 3k1a h TRP 402 Ca 0.15 -0.06 0.06 0.00 2.11 0.00 0.00 58.89 61.15 3k1a h TRP 402 Cb 0.58 -0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 27.44 3k1a h TRP 402 CO 0.04 0.53 0.33 -0.22 -2.79 0.00 0.00 178.44 176.32 3k1a h LYS 403 N 0.33 0.59 -0.53 2.65 3.64 -1.11 -0.84 116.57 121.30 3k1a h LYS 403 Ca 0.10 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.54 3k1a h LYS 403 Cb 0.28 -0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 31.89 3k1a h LYS 403 CO -0.00 0.39 0.09 -0.22 -2.27 0.00 0.00 179.45 177.44 3k1a h LYS 404 N 0.61 0.21 -0.54 1.90 1.63 -1.25 0.92 116.57 120.04 3k1a h LYS 404 Ca 0.28 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 60.02 3k1a h LYS 404 Cb 0.19 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.74 3k1a h LYS 404 CO -0.18 0.14 0.14 0.00 -3.45 0.00 0.00 179.45 176.09 3k1a h ALA 405 N 1.42 1.23 0.16 5.00 0.00 -0.65 -2.08 119.26 124.35 3k1a h ALA 405 Ca 0.27 -0.20 -0.31 0.00 0.00 0.00 0.00 54.91 54.67 3k1a h ALA 405 Cb 0.38 -0.22 0.03 0.00 0.00 0.00 0.00 17.79 17.98 3k1a h ALA 405 CO -0.37 0.53 -1.32 0.28 0.00 0.00 0.00 179.25 178.38 3k1a h VAL 406 N 0.79 1.28 -0.84 0.00 2.07 -0.84 -2.78 116.25 115.93 3k1a h VAL 406 Ca 0.18 -2.53 0.07 0.00 0.82 0.00 0.00 66.70 65.23 3k1a h VAL 406 Cb 0.28 2.79 -0.05 0.00 -1.52 0.00 0.00 31.29 32.79 3k1a h VAL 406 CO -0.00 0.77 0.55 0.44 0.02 0.00 0.00 177.57 179.34 3k1a h ASP 407 N 0.24 0.81 -0.57 0.57 3.32 -0.73 -0.24 116.42 119.82 3k1a h ASP 407 Ca -0.21 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.77 3k1a h ASP 407 Cb 1.99 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 41.36 3k1a h ASP 407 CO 0.25 0.52 0.03 0.00 -1.72 0.00 0.00 179.24 178.32 3k1a h ALA 408 N 1.55 0.76 -0.57 3.45 0.00 -1.39 -0.69 119.26 122.36 3k1a h ALA 408 Ca 0.36 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3k1a h ALA 408 Cb 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3k1a h ALA 408 CO -0.13 0.56 0.20 0.82 0.00 0.00 0.00 179.25 180.69 3k1a h ILE 409 N 0.86 1.23 -0.50 0.00 2.04 -1.09 -2.22 117.51 117.84 3k1a h ILE 409 Ca 0.16 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 3k1a h ILE 409 Cb 0.50 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3k1a h ILE 409 CO 0.02 0.29 0.15 -0.07 0.00 0.00 0.00 178.15 178.54 3k1a h LEU 410 N 0.80 0.68 -1.17 1.44 3.38 -0.94 -2.88 115.31 116.62 3k1a h LEU 410 Ca 0.19 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3k1a h LEU 410 Cb 0.25 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3k1a h LEU 410 CO -0.01 0.65 -0.20 0.00 0.09 0.00 0.00 178.44 178.98 3k1a h ALA 411 N 1.44 1.31 0.00 1.53 0.00 -0.71 -2.97 119.26 119.87 3k1a h ALA 411 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3k1a h ALA 411 Cb 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3k1a h ALA 411 CO -0.01 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.71 3k1a n ALA 412 N -2.48 2.41 -3.08 0.00 0.00 -0.87 -4.77 120.51 111.71 3k1a n ALA 412 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3k1a n ALA 412 Cb 0.34 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.67 3k1a n ALA 412 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3k1a s SER 413 N -1.02 -0.19 0.58 0.00 0.15 -1.12 -5.02 113.70 107.07 3k1a s SER 413 Ca 0.00 0.37 0.35 0.00 0.70 0.00 0.00 55.95 57.36 3k1a s SER 413 Cb 0.00 0.37 1.74 0.00 -1.71 0.00 0.00 66.02 66.41 3k1a s SER 413 CO 0.00 -0.07 2.14 -0.65 1.20 0.00 0.00 173.24 175.87 3k1a h PRO 414 N 5.90 0.00 0.00 5.44 0.11 -1.86 -2.59 132.00 139.01 3k1a h PRO 414 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3k1a h PRO 414 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3k1a h PRO 414 CO 0.39 0.05 0.00 0.66 -0.21 0.00 0.00 178.00 178.89 3k1a n TYR 415 N -3.32 0.00 0.94 0.65 4.01 -1.26 -3.00 117.16 115.19 3k1a n TYR 415 Ca -0.02 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.84 3k1a n TYR 415 Cb 0.20 -0.33 0.29 0.00 -0.31 0.00 0.00 39.34 39.20 3k1a n TYR 415 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k1a n GLY 416 N 1.09 0.83 0.23 2.72 0.00 -0.98 -4.26 105.19 104.83 3k1a n GLY 416 Ca 0.12 -0.58 0.05 0.00 0.00 0.00 0.00 46.02 45.60 3k1a n GLY 416 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k1a h LYS 417 N 3.46 0.04 -0.44 1.61 6.56 -1.69 -2.60 116.57 123.51 3k1a h LYS 417 Ca 0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 3k1a h LYS 417 Cb 0.75 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.40 3k1a h LYS 417 CO 0.00 0.21 0.00 0.09 -2.06 0.00 0.00 179.45 177.69 3k1a n ASN 418 N -4.32 3.92 -4.87 0.86 3.02 -1.26 -5.00 115.26 107.62 3k1a n ASN 418 Ca -0.02 -2.47 -0.36 0.00 -0.03 0.00 0.00 54.58 51.70 3k1a n ASN 418 Cb 0.24 -0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 38.90 3k1a n ASN 418 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k1a s ALA 419 N -1.86 3.79 -0.04 5.41 0.00 -0.98 -4.65 121.76 123.43 3k1a s ALA 419 Ca 0.40 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.92 3k1a s ALA 419 Cb 0.27 -2.17 0.01 0.00 0.00 0.00 0.00 23.12 21.23 3k1a s ALA 419 CO 0.17 0.58 -0.10 0.99 0.00 0.00 0.00 175.76 177.41 3k1a s THR 420 N -1.19 0.91 -0.22 0.00 2.01 -0.41 -5.03 115.64 111.71 3k1a s THR 420 Ca 0.24 -0.38 -0.11 0.00 0.31 0.00 0.00 61.69 61.75 3k1a s THR 420 Cb -0.14 -0.83 -0.05 0.00 0.01 0.00 0.00 72.50 71.49 3k1a s THR 420 CO 0.13 0.29 0.19 -0.69 -0.69 0.00 0.00 174.62 173.85 3k1a s VAL 421 N 0.48 5.35 -0.20 3.82 1.01 -1.26 -1.48 120.40 128.12 3k1a s VAL 421 Ca -0.09 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 3k1a s VAL 421 Cb -0.12 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3k1a s VAL 421 CO 0.02 0.36 -0.12 -0.31 0.00 0.00 0.00 175.10 175.05 3k1a s TYR 422 N 0.91 2.87 0.11 5.22 2.02 0.29 -4.98 117.35 123.78 3k1a s TYR 422 Ca 0.09 -1.25 0.06 0.00 -0.37 0.00 0.00 57.07 55.61 3k1a s TYR 422 Cb -0.13 -2.01 -0.04 0.00 -0.40 0.00 0.00 41.96 39.38 3k1a s TYR 422 CO 0.03 -0.65 -0.03 0.96 -1.57 0.00 0.00 175.55 174.29 3k1a s ILE 423 N 1.35 3.77 0.00 2.71 -4.36 -1.26 -0.54 121.20 122.87 3k1a s ILE 423 Ca 0.05 -1.15 0.00 0.00 -0.26 0.00 0.00 60.65 59.29 3k1a s ILE 423 Cb -0.14 -2.81 0.00 0.00 1.25 0.00 0.00 42.46 40.76 3k1a s ILE 423 CO -0.07 0.07 0.00 0.61 0.24 0.00 0.00 174.94 175.79 3k1a n GLY 424 N 0.48 1.47 3.96 6.27 0.00 -1.19 -4.97 105.19 111.20 3k1a n GLY 424 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 3k1a n GLY 424 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1a s LYS 425 N -0.07 3.46 0.42 1.61 -0.14 -1.26 -4.96 119.74 118.79 3k1a s LYS 425 Ca 0.00 -0.61 0.00 0.00 -1.36 0.00 0.00 55.97 54.00 3k1a s LYS 425 Cb 0.00 -2.81 -0.00 0.00 -1.68 0.00 0.00 37.83 33.34 3k1a s LYS 425 CO 0.00 0.33 0.01 -0.40 -0.76 0.00 0.00 175.35 174.54 3k1a n ASP 426 N -1.53 2.99 0.09 2.83 5.68 -1.26 -3.70 116.55 121.64 3k1a n ASP 426 Ca -0.08 -2.86 0.11 0.00 -0.50 0.00 0.00 54.79 51.47 3k1a n ASP 426 Cb 0.57 0.35 0.44 0.00 -1.14 0.00 0.00 41.12 41.34 3k1a n ASP 426 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3k1a n LEU 427 N 0.00 0.48 0.08 -2.12 4.77 -0.10 -1.81 117.00 118.30 3k1a n LEU 427 Ca -0.16 0.60 -0.11 0.00 -0.03 0.00 0.00 56.01 56.31 3k1a n LEU 427 Cb 0.54 -0.52 -0.11 0.00 -2.33 0.00 0.00 43.42 41.00 3k1a n LEU 427 CO 0.29 -0.39 0.09 -0.25 -1.33 0.00 0.00 177.39 175.79 3k1a h TRP 428 N 0.00 0.24 -0.19 -1.77 2.91 -1.68 -0.67 115.95 114.80 3k1a h TRP 428 Ca 0.00 -0.17 -0.01 0.00 1.13 0.00 0.00 58.89 59.84 3k1a h TRP 428 Cb 0.40 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.03 3k1a h TRP 428 CO 0.00 1.10 0.07 0.45 -1.03 0.00 0.00 178.44 179.03 3k1a h HIS 429 N 0.05 0.28 -0.74 2.65 3.86 -1.63 -3.13 115.15 116.49 3k1a h HIS 429 Ca -0.06 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 3k1a h HIS 429 Cb 1.80 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 30.15 3k1a h HIS 429 CO 0.03 0.34 0.41 1.25 0.86 0.00 0.00 177.93 180.82 3k1a h LEU 430 N 0.14 0.92 -0.56 2.43 5.85 -1.34 -1.58 115.31 121.18 3k1a h LEU 430 Ca 0.06 -0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.82 3k1a h LEU 430 Cb 0.18 -0.23 -0.11 0.00 0.37 0.00 0.00 40.66 40.87 3k1a h LEU 430 CO -0.00 0.74 -0.17 -0.09 -0.34 0.00 0.00 178.44 178.58 3k1a h ARG 431 N 1.03 -0.03 -0.13 1.25 2.43 -1.11 -1.84 114.38 115.99 3k1a h ARG 431 Ca 0.26 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.45 3k1a h ARG 431 Cb 0.03 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3k1a h ARG 431 CO -0.04 -0.02 0.05 0.77 -1.51 0.00 0.00 179.97 179.21 3k1a h SER 432 N -0.03 0.06 -0.88 -3.80 0.02 -1.25 -2.99 113.55 104.68 3k1a h SER 432 Ca 0.27 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.27 3k1a h SER 432 Cb 0.44 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.92 3k1a h SER 432 CO -0.59 0.05 0.56 -0.07 -1.14 0.00 0.00 176.83 175.64 3k1a h LEU 433 N 0.11 0.91 -0.17 5.07 3.38 -1.05 -1.21 115.31 122.35 3k1a h LEU 433 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3k1a h LEU 433 Cb 0.03 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3k1a h LEU 433 CO -0.05 0.61 0.00 1.33 0.09 0.00 0.00 178.44 180.42 3k1a n VAL 434 N -4.56 0.61 -0.08 1.22 0.24 -0.73 -0.46 118.33 114.55 3k1a n VAL 434 Ca 0.12 0.06 -0.19 0.00 -2.04 0.00 0.00 64.34 62.29 3k1a n VAL 434 Cb 0.13 -0.82 -0.12 0.00 -1.47 0.00 0.00 33.84 31.56 3k1a n VAL 434 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 3k1a h PHE 435 N 0.00 0.03 0.10 6.34 0.04 -1.19 -3.33 116.94 118.94 3k1a h PHE 435 Ca 0.00 -0.02 -0.28 0.00 2.80 0.00 0.00 57.97 60.47 3k1a h PHE 435 Cb 0.45 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 3k1a h PHE 435 CO 0.00 1.32 -1.33 1.79 -0.60 0.00 0.00 178.31 179.49 3k1a h THR 436 N -0.95 1.38 -2.13 -1.55 1.35 -1.15 -3.35 112.91 106.51 3k1a h THR 436 Ca -0.22 -3.01 -0.58 0.00 -0.55 0.00 0.00 66.41 62.05 3k1a h THR 436 Cb 1.23 2.85 -0.41 0.00 -1.73 0.00 0.00 68.15 70.09 3k1a h THR 436 CO -0.12 0.86 -0.79 -0.67 -0.25 0.00 0.00 175.52 174.55 3k1a n ASP 437 N -3.46 2.56 -4.67 5.36 2.03 0.39 -5.05 116.55 113.71 3k1a n ASP 437 Ca -0.10 -3.21 -0.45 0.00 0.52 0.00 0.00 54.79 51.54 3k1a n ASP 437 Cb 1.02 -0.65 -0.04 0.00 -0.72 0.00 0.00 41.12 40.74 3k1a n ASP 437 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3k1a n LYS 438 N 0.86 2.54 -2.21 -0.67 4.81 -1.25 -4.54 118.16 117.71 3k1a n LYS 438 Ca 0.27 0.93 -0.22 0.00 -0.87 0.00 0.00 58.31 58.42 3k1a n LYS 438 Cb 0.46 -2.82 0.12 0.00 0.02 0.00 0.00 35.03 32.81 3k1a n LYS 438 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3k1a n PRO 439 N 6.63 -0.27 0.06 1.64 -0.04 -1.26 -5.04 135.00 136.73 3k1a n PRO 439 Ca 0.21 -2.29 -0.21 0.00 -0.04 0.00 0.00 63.50 61.16 3k1a n PRO 439 Cb 0.35 -0.72 -0.15 0.00 -0.04 0.00 0.00 33.50 32.94 3k1a n PRO 439 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3k1a h ASP 440 N -0.74 0.53 -5.30 3.54 3.32 -1.06 -3.46 116.42 113.24 3k1a h ASP 440 Ca -0.31 -0.93 -0.14 0.00 0.02 0.00 0.00 57.03 55.67 3k1a h ASP 440 Cb 1.08 -0.17 -0.15 0.00 0.22 0.00 0.00 39.33 40.31 3k1a h ASP 440 CO 0.31 1.50 -0.59 -0.36 -1.72 0.00 0.00 179.24 178.37 3k1a s PHE 441 N -2.47 0.59 -0.10 4.55 0.08 -0.92 -4.13 117.98 115.57 3k1a s PHE 441 Ca -0.14 -1.04 -0.03 0.00 0.12 0.00 0.00 56.93 55.85 3k1a s PHE 441 Cb 0.02 -0.35 -0.03 0.00 -0.57 0.00 0.00 43.02 42.09 3k1a s PHE 441 CO 0.84 -0.49 0.00 -1.64 -0.10 0.00 0.00 175.22 173.84 3k1a s MET 442 N -3.97 3.14 -0.31 0.44 -1.94 -0.38 -1.33 119.30 114.95 3k1a s MET 442 Ca 0.14 -0.41 -0.03 0.00 -1.71 0.00 0.00 55.69 53.68 3k1a s MET 442 Cb 0.07 -2.84 0.05 0.00 2.01 0.00 0.00 34.83 34.11 3k1a s MET 442 CO -0.05 0.62 0.03 0.42 -0.01 0.00 0.00 175.02 176.03 3k1a s ILE 443 N -0.65 3.17 0.00 2.53 1.01 0.49 0.95 121.20 128.71 3k1a s ILE 443 Ca 0.10 -1.33 0.00 0.00 0.00 0.00 0.00 60.65 59.42 3k1a s ILE 443 Cb -0.12 -2.82 0.00 0.00 0.01 0.00 0.00 42.46 39.53 3k1a s ILE 443 CO 0.02 -0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.44 3k1a n GLY 444 N 4.67 1.29 3.97 6.18 0.00 -0.51 -2.61 105.19 118.16 3k1a n GLY 444 Ca -0.13 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 44.78 3k1a n GLY 444 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1a s ASN 445 N -0.22 3.44 0.57 1.61 2.20 -1.25 -1.65 114.94 119.63 3k1a s ASN 445 Ca 0.00 -0.16 0.28 0.00 -0.94 0.00 0.00 52.86 52.04 3k1a s ASN 445 Cb 0.00 0.07 1.70 0.00 -2.00 0.00 0.00 41.25 41.02 3k1a s ASN 445 CO 0.00 -2.49 2.21 0.28 -2.94 0.00 0.00 177.10 174.16 3k1a h SER 446 N -1.23 0.00 0.05 3.54 0.02 -1.78 -1.26 113.55 112.89 3k1a h SER 446 Ca -0.39 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 3k1a h SER 446 Cb 1.23 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 3k1a h SER 446 CO 0.34 0.02 -0.02 1.88 -1.14 0.00 0.00 176.83 177.92 3k1a h TYR 447 N 0.00 0.00 -0.00 3.45 0.05 -1.94 -1.22 116.97 117.31 3k1a h TYR 447 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3k1a h TYR 447 Cb 0.06 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.80 3k1a h TYR 447 CO 0.00 0.02 0.00 0.78 -1.05 0.00 0.00 178.16 177.91 3k1a h GLY 448 N 0.12 0.00 2.00 3.88 0.00 -1.59 -3.06 103.07 104.43 3k1a h GLY 448 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3k1a h GLY 448 CO 0.00 0.00 -0.04 0.07 0.00 0.00 0.00 176.54 176.57 3k1a h LYS 449 N 0.00 0.00 0.00 4.80 2.10 -1.42 -0.91 116.57 121.15 3k1a h LYS 449 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 3k1a h LYS 449 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 3k1a h LYS 449 CO -0.00 0.04 -0.32 0.74 -2.00 0.00 0.00 179.45 177.91 3k1a h PHE 450 N 0.00 0.00 -0.01 0.07 0.04 -1.75 -2.13 116.94 113.16 3k1a h PHE 450 Ca -0.00 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.58 3k1a h PHE 450 Cb 0.08 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.24 3k1a h PHE 450 CO 0.00 0.32 -0.74 0.82 -0.60 0.00 0.00 178.31 178.11 3k1a h ILE 451 N 0.00 1.37 -0.62 -0.55 2.04 -1.35 -2.70 117.51 115.70 3k1a h ILE 451 Ca -0.00 -2.11 0.02 0.00 1.00 0.00 0.00 64.86 63.76 3k1a h ILE 451 Cb 1.00 2.49 -0.04 0.00 -0.74 0.00 0.00 36.82 39.54 3k1a h ILE 451 CO 0.04 0.63 0.40 -0.61 0.00 0.00 0.00 178.15 178.61 3k1a h GLN 452 N 0.08 0.78 -0.73 2.37 4.15 -1.38 -1.53 115.11 118.84 3k1a h GLN 452 Ca -0.09 -0.05 0.09 0.00 0.77 0.00 0.00 58.65 59.37 3k1a h GLN 452 Cb 1.42 -0.17 -0.07 0.00 0.21 0.00 0.00 27.48 28.87 3k1a h GLN 452 CO 0.15 0.51 0.39 -0.09 -1.93 0.00 0.00 178.83 177.86 3k1a h ARG 453 N 0.80 0.65 -0.35 1.69 1.12 -1.43 -0.65 114.38 116.21 3k1a h ARG 453 Ca 0.24 -0.04 -0.04 0.00 -1.11 0.00 0.00 59.98 59.03 3k1a h ARG 453 Cb -0.04 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 29.76 3k1a h ARG 453 CO -0.07 0.43 0.06 -0.44 -3.11 0.00 0.00 179.97 176.83 3k1a h ASP 454 N 0.67 0.56 -0.35 -3.80 3.32 -1.13 -2.49 116.42 113.21 3k1a h ASP 454 Ca 0.35 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 3k1a h ASP 454 Cb 0.33 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3k1a h ASP 454 CO -0.24 0.68 0.21 0.71 -1.72 0.00 0.00 179.24 178.87 3k1a h THR 455 N 0.42 1.13 -0.97 0.35 1.35 -0.94 -2.52 112.91 111.73 3k1a h THR 455 Ca 0.11 -0.31 0.10 0.00 -0.55 0.00 0.00 66.41 65.76 3k1a h THR 455 Cb 0.36 0.69 -0.07 0.00 -1.73 0.00 0.00 68.15 67.40 3k1a h THR 455 CO 0.01 0.13 0.62 0.25 -0.25 0.00 0.00 175.52 176.28 3k1a h LEU 456 N 0.45 0.92 -1.15 3.87 5.85 -1.09 -2.25 115.31 121.91 3k1a h LEU 456 Ca 0.13 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 3k1a h LEU 456 Cb 0.03 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3k1a h LEU 456 CO -0.02 0.53 0.17 -0.74 -0.34 0.00 0.00 178.44 178.03 3k1a h HIS 457 N 1.01 0.78 -0.67 1.25 2.76 -1.02 -1.18 115.15 118.08 3k1a h HIS 457 Ca 0.46 -0.05 -0.04 0.00 -2.20 0.00 0.00 60.37 58.54 3k1a h HIS 457 Cb 0.39 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 29.09 3k1a h HIS 457 CO -0.00 0.63 0.27 -0.22 -1.30 0.00 0.00 177.93 177.31 3k1a h LYS 458 N 0.75 0.98 0.00 5.26 3.64 -1.13 -3.48 116.57 122.59 3k1a h LYS 458 Ca 0.17 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3k1a h LYS 458 Cb 0.21 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3k1a h LYS 458 CO -0.01 0.79 0.00 0.41 -2.27 0.00 0.00 179.45 178.37 3k1a n GLY 459 N -0.99 3.43 0.37 5.01 0.00 -0.45 -4.93 105.19 107.63 3k1a n GLY 459 Ca 0.06 -0.72 0.01 0.00 0.00 0.00 0.00 46.02 45.37 3k1a n GLY 459 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3k1a h LYS 460 N 0.00 1.15 0.00 1.61 1.63 -1.84 0.23 116.57 119.36 3k1a h LYS 460 Ca 0.00 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 3k1a h LYS 460 Cb 0.00 -0.26 0.00 0.00 -0.60 0.00 0.00 32.23 31.37 3k1a h LYS 460 CO 0.00 0.76 0.00 1.05 -3.45 0.00 0.00 179.45 177.81 3k1a h GLU 461 N 1.19 0.00 -0.01 1.90 9.09 -1.93 -2.50 114.58 122.32 3k1a h GLU 461 Ca 0.39 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.80 3k1a h GLU 461 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.15 3k1a h GLU 461 CO -0.13 0.00 -0.76 1.19 0.05 0.00 0.00 179.01 179.36 3k1a n PHE 462 N -2.63 0.00 -1.89 2.06 3.72 -0.01 -4.98 117.46 113.74 3k1a n PHE 462 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 3k1a n PHE 462 Cb 0.20 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.71 3k1a n PHE 462 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3k1a s GLU 463 N -2.77 4.19 -0.40 -1.08 2.12 -0.70 -4.63 118.70 115.43 3k1a s GLU 463 Ca 0.13 2.41 -0.03 0.00 0.36 0.00 0.00 54.97 57.83 3k1a s GLU 463 Cb 0.17 -3.24 0.10 0.00 0.26 0.00 0.00 34.13 31.42 3k1a s GLU 463 CO 0.74 -0.66 0.19 0.08 -0.54 0.00 0.00 175.26 175.06 3k1a s VAL 464 N 1.50 3.36 0.41 3.70 1.01 -1.26 -4.94 120.40 124.17 3k1a s VAL 464 Ca 0.72 -1.93 -0.26 0.00 0.00 0.00 0.00 61.98 60.51 3k1a s VAL 464 Cb -0.44 -3.25 -0.09 0.00 0.00 0.00 0.00 36.38 32.60 3k1a s VAL 464 CO 0.32 -0.62 1.32 -2.84 0.00 0.00 0.00 175.10 173.27 3k1a s PRO 465 N 1.18 3.95 0.05 2.72 0.02 -1.26 -4.35 135.00 137.31 3k1a s PRO 465 Ca 0.06 2.19 -0.24 0.00 0.02 0.00 0.00 61.00 63.03 3k1a s PRO 465 Cb -0.23 -2.76 -0.06 0.00 0.02 0.00 0.00 34.50 31.48 3k1a s PRO 465 CO -0.03 -0.52 0.73 -1.17 -0.33 0.00 0.00 177.00 175.67 3k1a s LEU 466 N -2.44 4.47 -0.31 -5.54 2.96 -1.26 -1.25 118.68 115.30 3k1a s LEU 466 Ca 0.57 1.41 -0.04 0.00 -0.22 0.00 0.00 54.13 55.85 3k1a s LEU 466 Cb -0.39 -3.16 0.04 0.00 0.50 0.00 0.00 46.19 43.18 3k1a s LEU 466 CO 0.50 0.07 0.05 -0.63 -1.32 0.00 0.00 176.35 175.01 3k1a s ILE 467 N -0.27 3.43 -0.83 6.68 1.01 0.27 -4.92 121.20 126.56 3k1a s ILE 467 Ca 0.36 -1.16 -0.26 0.00 0.00 0.00 0.00 60.65 59.60 3k1a s ILE 467 Cb -0.20 -2.91 0.04 0.00 0.01 0.00 0.00 42.46 39.39 3k1a s ILE 467 CO 0.22 -0.08 1.34 -0.13 0.00 0.00 0.00 174.94 176.29 3k1a s ARG 468 N 1.35 3.31 -0.07 2.79 0.52 -1.26 -1.43 118.95 124.17 3k1a s ARG 468 Ca -0.02 -0.52 -0.00 0.00 -0.52 0.00 0.00 55.73 54.66 3k1a s ARG 468 Cb -0.19 -4.57 0.03 0.00 0.52 0.00 0.00 34.95 30.74 3k1a s ARG 468 CO 0.01 -2.18 -0.03 0.42 0.02 0.00 0.00 175.30 173.54 3k1a s ILE 469 N 5.53 0.55 -4.87 1.52 1.01 -0.66 -4.94 121.20 119.34 3k1a s ILE 469 Ca 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.00 3k1a s ILE 469 Cb -0.05 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 41.78 3k1a s ILE 469 CO 0.07 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.89 3k1a n GLY 470 N 4.74 0.72 3.13 6.18 0.00 -1.26 -3.75 105.19 114.95 3k1a n GLY 470 Ca -0.14 -1.61 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 3k1a n GLY 470 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k1a s PHE 471 N -3.89 -0.34 0.26 1.61 5.36 -1.26 -4.37 117.98 115.36 3k1a s PHE 471 Ca 0.00 0.81 -0.16 0.00 -0.96 0.00 0.00 56.93 56.62 3k1a s PHE 471 Cb 0.00 0.10 -0.08 0.00 -0.34 0.00 0.00 43.02 42.70 3k1a s PHE 471 CO 0.00 -0.20 0.71 -1.25 -1.46 0.00 0.00 175.22 173.02 3k1a s PRO 472 N 0.69 4.09 -0.38 10.12 0.04 -1.26 -4.81 135.00 143.49 3k1a s PRO 472 Ca -0.04 0.71 -0.05 0.00 0.04 0.00 0.00 61.00 61.66 3k1a s PRO 472 Cb -0.06 -2.66 0.08 0.00 0.04 0.00 0.00 34.50 31.90 3k1a s PRO 472 CO -0.04 0.28 0.16 0.42 0.04 0.00 0.00 177.00 177.86 3k1a s ILE 473 N -1.75 3.54 -0.04 0.56 1.01 -1.26 -2.10 121.20 121.17 3k1a s ILE 473 Ca 0.48 -1.59 0.16 0.00 0.00 0.00 0.00 60.65 59.71 3k1a s ILE 473 Cb -0.13 -3.21 -0.25 0.00 0.01 0.00 0.00 42.46 38.88 3k1a s ILE 473 CO 0.19 -0.43 0.33 0.49 0.00 0.00 0.00 174.94 175.52 3k1a n PHE 474 N 4.72 0.00 -0.30 3.97 3.72 -1.26 -4.57 117.46 123.74 3k1a n PHE 474 Ca -0.08 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.41 3k1a n PHE 474 Cb 0.43 -0.42 0.26 0.00 -0.94 0.00 0.00 39.48 38.80 3k1a n PHE 474 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3k1a n ASP 475 N -2.13 3.56 -4.19 4.37 5.75 -1.26 -4.89 116.55 117.76 3k1a n ASP 475 Ca -0.05 -2.01 -0.15 0.00 -0.01 0.00 0.00 54.79 52.57 3k1a n ASP 475 Cb 0.49 -0.39 -0.11 0.00 -1.03 0.00 0.00 41.12 40.08 3k1a n ASP 475 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3k1a s ARG 476 N -1.02 0.89 -0.19 0.11 1.81 -1.26 -5.15 118.95 114.14 3k1a s ARG 476 Ca 0.39 -1.19 -0.10 0.00 -1.72 0.00 0.00 55.73 53.11 3k1a s ARG 476 Cb 0.20 -0.60 -0.05 0.00 -0.45 0.00 0.00 34.95 34.05 3k1a s ARG 476 CO 0.26 0.10 0.14 -1.01 -0.68 0.00 0.00 175.30 174.10 3k1a s HIS 477 N -2.45 3.43 -0.91 -0.53 3.76 -1.26 -4.64 115.29 112.70 3k1a s HIS 477 Ca 0.07 0.36 0.00 0.00 -0.15 0.00 0.00 55.06 55.34 3k1a s HIS 477 Cb -0.03 -2.14 0.00 0.00 1.11 0.00 0.00 32.58 31.52 3k1a s HIS 477 CO 0.01 0.34 0.00 0.72 -0.85 0.00 0.00 174.74 174.95 3k1a n HIS 478 N 3.35 0.00 0.40 1.40 8.25 -1.26 -4.88 115.22 122.48 3k1a n HIS 478 Ca -0.16 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.43 3k1a n HIS 478 Cb 0.52 -1.80 0.50 0.00 1.12 0.00 0.00 29.99 30.33 3k1a n HIS 478 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3k1a h LEU 479 N 0.00 0.00 -0.58 2.41 3.38 -1.91 -2.76 115.31 115.84 3k1a h LEU 479 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3k1a h LEU 479 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3k1a h LEU 479 CO 0.26 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.79 3k1a n HIS 480 N -2.52 0.55 1.12 1.13 1.44 -1.26 -1.95 115.22 113.73 3k1a n HIS 480 Ca 0.03 0.23 0.14 0.00 -2.01 0.00 0.00 57.72 56.10 3k1a n HIS 480 Cb 0.31 -0.87 0.65 0.00 0.12 0.00 0.00 29.99 30.21 3k1a n HIS 480 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3k1a n ARG 481 N -2.01 0.15 -1.41 -1.40 1.74 -1.04 0.01 116.66 112.70 3k1a n ARG 481 Ca 0.02 0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.82 3k1a n ARG 481 Cb 0.17 -1.50 0.17 0.00 -1.02 0.00 0.00 32.46 30.29 3k1a n ARG 481 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3k1a s SER 482 N -2.85 2.70 -0.05 0.55 0.01 -0.82 -3.37 113.70 109.87 3k1a s SER 482 Ca 0.19 0.85 0.04 0.00 1.31 0.00 0.00 55.95 58.33 3k1a s SER 482 Cb 0.19 -1.31 -0.00 0.00 0.21 0.00 0.00 66.02 65.11 3k1a s SER 482 CO 0.49 -3.04 -0.17 -0.89 0.41 0.00 0.00 173.24 170.04 3k1a s THR 483 N -3.23 1.42 -0.01 1.44 2.01 -1.26 -1.93 115.64 114.08 3k1a s THR 483 Ca 0.67 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.98 3k1a s THR 483 Cb -0.13 -1.23 -0.00 0.00 0.01 0.00 0.00 72.50 71.14 3k1a s THR 483 CO 0.55 0.41 0.01 0.35 -0.69 0.00 0.00 174.62 175.25 3k1a n THR 484 N 3.29 0.00 -3.45 -0.82 -2.24 -1.26 -4.32 114.28 105.48 3k1a n THR 484 Ca -0.19 -0.38 -0.25 0.00 -2.27 0.00 0.00 64.05 60.96 3k1a n THR 484 Cb 0.53 0.88 -0.02 0.00 -2.10 0.00 0.00 70.33 69.62 3k1a n THR 484 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k1a s LEU 485 N -2.24 4.07 0.00 3.22 1.43 -1.26 -4.17 118.68 119.73 3k1a s LEU 485 Ca 0.00 0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 3k1a s LEU 485 Cb 0.00 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 42.93 3k1a s LEU 485 CO 0.01 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 176.97 3k1a n GLY 486 N -1.47 -1.59 0.24 -3.19 0.00 -0.29 -0.86 105.19 98.03 3k1a n GLY 486 Ca -0.05 -1.23 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 3k1a n GLY 486 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3k1a h TYR 487 N -0.10 0.89 -0.44 1.61 0.05 -1.91 -1.36 116.97 115.71 3k1a h TYR 487 Ca 0.00 -0.15 0.08 0.00 0.05 0.00 0.00 58.73 58.71 3k1a h TYR 487 Cb 0.10 -0.23 -0.07 0.00 1.01 0.00 0.00 36.73 37.54 3k1a h TYR 487 CO 0.00 0.85 0.04 1.49 -1.05 0.00 0.00 178.16 179.49 3k1a h GLU 488 N 0.66 0.15 -0.54 4.88 4.81 -1.93 0.72 114.58 123.34 3k1a h GLU 488 Ca 0.13 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.24 3k1a h GLU 488 Cb 0.50 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 3k1a h GLU 488 CO 0.02 0.10 -0.10 0.78 -0.73 0.00 0.00 179.01 179.09 3k1a h GLY 489 N 0.16 1.11 0.96 1.92 0.00 -0.88 -1.78 103.07 104.56 3k1a h GLY 489 Ca 0.22 -0.90 0.01 0.00 0.00 0.00 0.00 47.33 46.67 3k1a h GLY 489 CO -0.33 0.82 0.43 0.00 0.00 0.00 0.00 176.54 177.46 3k1a h ALA 490 N 0.93 0.85 -0.79 3.60 0.00 -0.88 -1.40 119.26 121.57 3k1a h ALA 490 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3k1a h ALA 490 Cb 0.67 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3k1a h ALA 490 CO 0.05 0.24 0.50 0.52 0.00 0.00 0.00 179.25 180.56 3k1a h MET 491 N 0.87 1.05 -0.55 0.00 2.07 -0.64 0.13 114.93 117.86 3k1a h MET 491 Ca 0.25 -0.07 -0.09 0.00 -2.07 0.00 0.00 59.70 57.72 3k1a h MET 491 Cb -0.06 -0.23 -0.02 0.00 -1.87 0.00 0.00 31.60 29.42 3k1a h MET 491 CO -0.07 0.71 0.00 1.96 1.07 0.00 0.00 176.91 180.58 3k1a h GLN 492 N 1.07 0.97 -0.13 1.72 4.20 -0.99 -1.95 115.11 120.00 3k1a h GLN 492 Ca 0.29 -0.31 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 3k1a h GLN 492 Cb -0.09 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 3k1a h GLN 492 CO -0.06 0.97 -0.08 0.82 -0.67 0.00 0.00 178.83 179.81 3k1a h ILE 493 N 0.85 1.33 -0.67 2.54 2.04 -1.03 -1.65 117.51 120.92 3k1a h ILE 493 Ca 0.16 -1.16 0.11 0.00 1.00 0.00 0.00 64.86 64.97 3k1a h ILE 493 Cb 0.53 1.81 -0.12 0.00 -0.74 0.00 0.00 36.82 38.31 3k1a h ILE 493 CO 0.03 0.33 -0.35 0.25 0.00 0.00 0.00 178.15 178.41 3k1a h LEU 494 N -0.07 -1.24 -0.46 1.44 7.12 -0.72 0.21 115.31 121.59 3k1a h LEU 494 Ca 0.03 0.24 -0.04 0.00 0.13 0.00 0.00 57.88 58.25 3k1a h LEU 494 Cb 0.56 0.62 -0.02 0.00 -0.53 0.00 0.00 40.66 41.29 3k1a h LEU 494 CO 0.02 -0.30 0.15 0.74 -0.13 0.00 0.00 178.44 178.92 3k1a h THR 495 N -0.14 1.22 -0.15 1.05 2.02 -1.24 -1.85 112.91 113.82 3k1a h THR 495 Ca 0.25 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 3k1a h THR 495 Cb 0.56 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 3k1a h THR 495 CO -0.74 0.26 0.08 0.74 0.37 0.00 0.00 175.52 176.24 3k1a h THR 496 N 0.60 1.10 -0.02 3.16 2.02 -0.90 -2.25 112.91 116.61 3k1a h THR 496 Ca 0.15 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 67.08 3k1a h THR 496 Cb 0.26 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 3k1a h THR 496 CO -0.01 0.09 -0.04 -0.07 0.37 0.00 0.00 175.52 175.87 3k1a h LEU 497 N 0.15 -0.11 -0.36 2.58 3.38 -0.81 -0.10 115.31 120.04 3k1a h LEU 497 Ca 0.05 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3k1a h LEU 497 Cb 0.07 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3k1a h LEU 497 CO -0.01 -0.06 -0.10 0.58 0.09 0.00 0.00 178.44 178.94 3k1a h VAL 498 N -0.06 1.28 0.00 1.22 2.07 -1.36 -2.35 116.25 117.05 3k1a h VAL 498 Ca 0.02 -1.18 -0.09 0.00 0.82 0.00 0.00 66.70 66.27 3k1a h VAL 498 Cb 0.09 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3k1a h VAL 498 CO -0.06 0.39 -0.43 0.78 0.02 0.00 0.00 177.57 178.27 3k1a h ASN 499 N 0.49 0.00 -0.48 0.57 -0.26 -1.37 -0.81 115.58 113.72 3k1a h ASN 499 Ca 0.09 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.79 3k1a h ASN 499 Cb 0.62 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.86 3k1a h ASN 499 CO 0.04 0.43 0.15 0.28 -1.06 0.00 0.00 177.43 177.27 3k1a h SER 500 N 0.00 0.71 -0.67 5.81 0.02 -0.85 -0.54 113.55 118.03 3k1a h SER 500 Ca -0.00 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 3k1a h SER 500 Cb 0.95 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.27 3k1a h SER 500 CO 0.06 0.73 0.37 0.40 -1.14 0.00 0.00 176.83 177.25 3k1a h ILE 501 N 0.65 1.21 -0.05 3.27 2.04 -0.99 -2.27 117.51 121.37 3k1a h ILE 501 Ca 0.16 -0.51 -0.18 0.00 1.00 0.00 0.00 64.86 65.32 3k1a h ILE 501 Cb 0.28 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3k1a h ILE 501 CO -0.00 0.23 -0.74 -0.07 0.00 0.00 0.00 178.15 177.56 3k1a h LEU 502 N 0.92 0.34 -0.45 1.44 3.38 -1.00 -1.43 115.31 118.50 3k1a h LEU 502 Ca 0.24 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3k1a h LEU 502 Cb 0.03 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3k1a h LEU 502 CO -0.04 0.97 -0.06 -0.33 0.09 0.00 0.00 178.44 179.07 3k1a h GLU 503 N 0.19 0.84 -0.44 1.13 5.08 -1.07 -1.36 114.58 118.93 3k1a h GLU 503 Ca -0.03 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3k1a h GLU 503 Cb 1.32 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 3k1a h GLU 503 CO 0.12 0.92 0.26 -0.09 -1.00 0.00 0.00 179.01 179.22 3k1a h ARG 504 N 0.68 0.61 -0.38 2.33 9.65 -1.33 -1.04 114.38 124.90 3k1a h ARG 504 Ca 0.12 -0.06 0.02 0.00 -1.10 0.00 0.00 59.98 58.96 3k1a h ARG 504 Cb 0.58 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.01 3k1a h ARG 504 CO 0.03 0.46 0.20 1.25 2.80 0.00 0.00 179.97 184.71 3k1a h LEU 505 N 0.59 0.31 -0.97 3.80 6.46 -1.17 -1.67 115.31 122.65 3k1a h LEU 505 Ca 0.16 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.96 3k1a h LEU 505 Cb 0.01 -0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 39.83 3k1a h LEU 505 CO -0.03 0.23 0.64 0.44 -0.62 0.00 0.00 178.44 179.09 3k1a h ASP 506 N 0.41 1.07 -0.00 1.25 3.32 -0.97 0.17 116.42 121.67 3k1a h ASP 506 Ca 0.15 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 3k1a h ASP 506 Cb 0.04 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 3k1a h ASP 506 CO -0.09 0.74 0.00 -0.08 -1.72 0.00 0.00 179.24 178.09 3k1a h GLU 507 N 1.25 0.00 0.00 3.56 4.81 -0.92 -2.38 114.58 120.90 3k1a h GLU 507 Ca 0.38 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 3k1a h GLU 507 Cb -0.03 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 3k1a h GLU 507 CO -0.11 0.12 -0.11 0.93 -0.73 0.00 0.00 179.01 179.10 3k1a h GLU 508 N -0.11 0.00 -0.42 1.92 5.08 -0.88 -2.88 114.58 117.29 3k1a h GLU 508 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 3k1a h GLU 508 Cb 0.12 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.28 3k1a h GLU 508 CO -0.00 0.11 0.06 0.25 -1.00 0.00 0.00 179.01 178.43 3k1a n THR 509 N -3.68 2.56 1.18 1.13 -2.24 0.01 -4.61 114.28 108.63 3k1a n THR 509 Ca -0.02 -2.21 0.13 0.00 -2.27 0.00 0.00 64.05 59.67 3k1a n THR 509 Cb 0.23 -0.31 0.25 0.00 -2.10 0.00 0.00 70.33 68.39 3k1a n THR 509 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3k1a n ARG 510 N -0.77 1.74 -2.35 -0.78 0.63 -0.91 -3.27 116.66 110.95 3k1a n ARG 510 Ca 0.32 -1.29 -0.43 0.00 -0.92 0.00 0.00 57.85 55.53 3k1a n ARG 510 Cb 1.08 -1.47 -0.02 0.00 0.45 0.00 0.00 32.46 32.50 3k1a n ARG 510 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3k1a s GLY 511 N -2.15 1.42 0.06 5.14 0.00 -1.26 -4.82 107.32 105.70 3k1a s GLY 511 Ca 0.29 0.28 -0.31 0.00 0.00 0.00 0.00 44.72 44.98 3k1a s GLY 511 CO 0.39 2.66 1.89 -0.13 0.00 0.00 0.00 173.10 177.91 3k1a n MET 512 N 7.21 2.72 -0.60 2.90 1.56 -1.26 -1.57 117.12 128.08 3k1a n MET 512 Ca 0.15 0.99 0.00 0.00 -0.27 0.00 0.00 57.70 58.58 3k1a n MET 512 Cb 0.46 -2.90 0.00 0.00 2.15 0.00 0.00 33.22 32.93 3k1a n MET 512 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 3k1a n GLN 513 N 6.47 0.00 -0.05 2.12 7.27 -1.26 -4.74 117.38 127.19 3k1a n GLN 513 Ca 0.19 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 57.17 3k1a n GLN 513 Cb 0.37 -3.54 -0.03 0.00 2.41 0.00 0.00 30.24 29.45 3k1a n GLN 513 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3k1a n ALA 514 N 0.93 1.83 -0.30 1.69 0.00 -0.89 -4.88 120.51 118.90 3k1a n ALA 514 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.91 3k1a n ALA 514 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.63 3k1a n ALA 514 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3k1a n THR 515 N -3.95 0.00 1.50 0.00 -2.24 -0.78 -4.82 114.28 103.99 3k1a n THR 515 Ca -0.16 -0.31 0.13 0.00 -2.27 0.00 0.00 64.05 61.45 3k1a n THR 515 Cb 0.44 1.30 0.73 0.00 -2.10 0.00 0.00 70.33 70.70 3k1a n THR 515 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3k1a n ASP 516 N -0.15 0.00 -0.04 3.42 5.75 -0.61 -2.63 116.55 122.29 3k1a n ASP 516 Ca 0.00 -0.58 0.14 0.00 -0.01 0.00 0.00 54.79 54.34 3k1a n ASP 516 Cb 0.07 -0.09 0.56 0.00 -1.03 0.00 0.00 41.12 40.63 3k1a n ASP 516 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 3k1a h TYR 517 N 0.00 0.30 -0.52 2.11 -0.00 -1.86 -1.37 116.97 115.63 3k1a h TYR 517 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.74 3k1a h TYR 517 Cb 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 36.73 36.71 3k1a h TYR 517 CO 0.00 0.14 0.00 -1.71 -0.00 0.00 0.00 178.16 176.59 3k1a n ASN 518 N -4.45 4.55 -3.54 0.10 5.15 -1.08 -4.76 115.26 111.22 3k1a n ASN 518 Ca 0.09 -2.58 -0.40 0.00 -0.60 0.00 0.00 54.58 51.09 3k1a n ASN 518 Cb 0.42 -0.59 -0.01 0.00 -0.53 0.00 0.00 39.78 39.07 3k1a n ASN 518 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 3k1a n HIS 519 N 0.73 2.68 -1.91 1.20 -0.00 -0.52 -4.96 115.22 112.44 3k1a n HIS 519 Ca 0.23 -2.87 -0.41 0.00 0.46 0.00 0.00 57.72 55.12 3k1a n HIS 519 Cb 0.91 -2.01 -0.02 0.00 -0.12 0.00 0.00 29.99 28.75 3k1a n HIS 519 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3k1a s ASP 520 N 0.94 6.53 0.15 0.26 1.01 -1.26 -4.93 116.67 119.36 3k1a s ASP 520 Ca 0.53 2.82 -0.14 0.00 0.71 0.00 0.00 52.55 56.48 3k1a s ASP 520 Cb 0.16 -2.64 0.02 0.00 1.01 0.00 0.00 42.92 41.48 3k1a s ASP 520 CO -0.07 -0.78 1.66 0.25 0.21 0.00 0.00 175.17 176.44 3k1a h LEU 521 N 4.47 0.73 -8.74 1.23 5.85 -2.00 -3.42 115.31 113.42 3k1a h LEU 521 Ca -0.47 -0.23 -0.64 0.00 0.84 0.00 0.00 57.88 57.38 3k1a h LEU 521 Cb 1.22 -0.19 -0.22 0.00 0.37 0.00 0.00 40.66 41.85 3k1a h LEU 521 CO 0.75 0.76 -0.63 -0.69 -0.34 0.00 0.00 178.44 178.29 3k1a s VAL 522 N -5.33 4.25 0.00 1.05 1.01 -1.26 -5.29 120.40 114.83 3k1a s VAL 522 Ca -0.13 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3k1a s VAL 522 Cb 0.11 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.55 3k1a s VAL 522 CO 0.79 0.40 0.19 0.54 0.00 0.00 0.00 175.10 177.02