#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kx6 h VAL 3 N 0.00 1.10 -3.33 1.69 2.07 -2.04 -3.44 116.25 112.30 3kx6 h VAL 3 Ca 0.00 -2.79 -0.57 0.00 0.82 0.00 0.00 66.70 64.16 3kx6 h VAL 3 Cb 0.00 2.69 -0.07 0.00 -1.52 0.00 0.00 31.29 32.39 3kx6 h VAL 3 CO 0.00 0.78 -0.06 -0.54 0.02 0.00 0.00 177.57 177.78 3kx6 s LYS 4 N -2.62 4.36 -0.07 1.57 1.02 -1.26 -5.01 119.74 117.74 3kx6 s LYS 4 Ca -0.09 0.61 -0.30 0.00 0.02 0.00 0.00 55.97 56.22 3kx6 s LYS 4 Cb 0.07 -3.43 -0.05 0.00 -0.52 0.00 0.00 37.83 33.90 3kx6 s LYS 4 CO 0.84 0.15 1.68 -1.17 -0.92 0.00 0.00 175.35 175.93 3kx6 s LEU 5 N 0.59 4.26 0.68 3.17 2.96 -1.26 -5.00 118.68 124.08 3kx6 s LEU 5 Ca 0.30 2.18 -0.11 0.00 -0.22 0.00 0.00 54.13 56.28 3kx6 s LEU 5 Cb -0.16 -3.53 -0.00 0.00 0.50 0.00 0.00 46.19 42.99 3kx6 s LEU 5 CO 0.13 -1.00 1.07 -0.94 -1.32 0.00 0.00 176.35 174.30 3kx6 s SER 6 N 3.64 5.67 0.24 3.68 1.04 -1.26 -4.86 113.70 121.85 3kx6 s SER 6 Ca 0.75 1.26 -0.06 0.00 0.48 0.00 0.00 55.95 58.38 3kx6 s SER 6 Cb -0.33 -2.15 0.34 0.00 0.10 0.00 0.00 66.02 63.98 3kx6 s SER 6 CO 0.30 -1.21 1.82 1.56 0.98 0.00 0.00 173.24 176.69 3kx6 h GLN 7 N -0.56 0.78 -0.50 4.02 1.08 -1.98 0.56 115.11 118.51 3kx6 h GLN 7 Ca -0.45 -0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 56.59 3kx6 h GLN 7 Cb 1.23 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 28.47 3kx6 h GLN 7 CO 0.63 0.52 -0.14 1.49 -0.95 0.00 0.00 178.83 180.37 3kx6 h GLU 8 N 0.81 0.96 0.00 1.46 4.57 -1.99 0.12 114.58 120.51 3kx6 h GLU 8 Ca 0.37 -0.36 -0.19 0.00 -1.18 0.00 0.00 59.36 58.00 3kx6 h GLU 8 Cb 0.27 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 3kx6 h GLU 8 CO -0.21 1.03 -0.85 0.00 -1.18 0.00 0.00 179.01 177.79 3kx6 h ARG 9 N 0.85 0.12 -0.25 1.92 3.08 -1.84 -2.01 114.38 116.24 3kx6 h ARG 9 Ca 0.13 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3kx6 h ARG 9 Cb 0.69 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 3kx6 h ARG 9 CO 0.05 0.90 0.11 0.00 -1.07 0.00 0.00 179.97 179.96 3kx6 h ALA 10 N 1.06 0.33 -0.65 0.04 0.00 -0.75 -2.38 119.26 116.91 3kx6 h ALA 10 Ca -0.03 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.84 3kx6 h ALA 10 Cb 1.48 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 3kx6 h ALA 10 CO 0.12 -0.09 0.34 -0.22 0.00 0.00 0.00 179.25 179.40 3kx6 h LYS 11 N 0.26 0.59 -0.44 0.00 3.64 -0.84 -0.27 116.57 119.52 3kx6 h LYS 11 Ca 0.09 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3kx6 h LYS 11 Cb 0.16 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3kx6 h LYS 11 CO -0.01 0.39 0.29 1.49 -2.27 0.00 0.00 179.45 179.34 3kx6 h GLU 12 N 0.61 0.57 -0.39 1.90 4.81 -1.21 -0.77 114.58 120.11 3kx6 h GLU 12 Ca 0.30 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3kx6 h GLU 12 Cb 0.24 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3kx6 h GLU 12 CO -0.21 0.38 0.24 -0.07 -0.73 0.00 0.00 179.01 178.61 3kx6 h LEU 13 N 0.59 0.46 -0.54 1.64 3.38 -0.93 -0.95 115.31 118.97 3kx6 h LEU 13 Ca 0.17 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3kx6 h LEU 13 Cb -0.05 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3kx6 h LEU 13 CO -0.04 0.38 0.20 0.00 0.09 0.00 0.00 178.44 179.06 3kx6 h ALA 14 N 1.11 0.70 -0.52 1.53 0.00 -0.73 0.03 119.26 121.36 3kx6 h ALA 14 Ca 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3kx6 h ALA 14 Cb -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3kx6 h ALA 14 CO -0.03 0.32 0.19 0.93 0.00 0.00 0.00 179.25 180.67 3kx6 h GLU 15 N 0.73 0.80 -0.53 0.00 5.08 -1.03 -0.57 114.58 119.05 3kx6 h GLU 15 Ca 0.18 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3kx6 h GLU 15 Cb 0.22 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3kx6 h GLU 15 CO -0.01 0.72 0.08 -0.91 -1.00 0.00 0.00 179.01 177.88 3kx6 h ASN 16 N 0.71 0.84 -0.33 1.42 2.35 -0.97 -1.04 115.58 118.55 3kx6 h ASN 16 Ca 0.17 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 3kx6 h ASN 16 Cb 0.23 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3kx6 h ASN 16 CO -0.01 0.89 0.12 0.00 -1.65 0.00 0.00 177.43 176.78 3kx6 h ALA 17 N 0.98 0.44 -0.67 -0.83 0.00 -0.85 -1.03 119.26 117.30 3kx6 h ALA 17 Ca 0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3kx6 h ALA 17 Cb 0.41 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3kx6 h ALA 17 CO 0.01 0.05 0.30 0.77 0.00 0.00 0.00 179.25 180.39 3kx6 h SER 18 N 0.39 0.87 -0.16 0.00 0.02 -1.05 -1.45 113.55 112.17 3kx6 h SER 18 Ca 0.11 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3kx6 h SER 18 Cb 0.21 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3kx6 h SER 18 CO -0.01 0.75 0.08 0.15 -1.14 0.00 0.00 176.83 176.66 3kx6 h PHE 19 N 0.95 0.23 -0.90 3.45 3.57 -0.82 -1.86 116.94 121.56 3kx6 h PHE 19 Ca 0.23 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.79 3kx6 h PHE 19 Cb 0.13 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 3kx6 h PHE 19 CO 0.01 0.27 0.58 0.82 -2.23 0.00 0.00 178.31 177.76 3kx6 h ILE 20 N 0.13 1.03 -0.10 1.41 2.04 -0.86 -1.20 117.51 119.96 3kx6 h ILE 20 Ca 0.06 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3kx6 h ILE 20 Cb 0.12 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 3kx6 h ILE 20 CO -0.01 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.32 3kx6 n ALA 21 N -2.40 2.51 -1.58 1.87 0.00 -0.58 -4.61 120.51 115.72 3kx6 n ALA 21 Ca 0.14 -0.20 -0.49 0.00 0.00 0.00 0.00 53.44 52.90 3kx6 n ALA 21 Cb 0.23 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 3kx6 n ALA 21 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3kx6 n SER 22 N -0.15 1.43 -4.64 0.00 7.64 -0.45 -4.73 113.62 112.71 3kx6 n SER 22 Ca 0.04 1.14 -0.49 0.00 1.01 0.00 0.00 58.87 60.57 3kx6 n SER 22 Cb 0.13 -1.23 -0.05 0.00 -1.01 0.00 0.00 64.21 62.05 3kx6 n SER 22 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3kx6 n PRO 23 N 1.77 1.75 -0.59 1.43 -0.02 -1.26 -1.54 135.00 136.54 3kx6 n PRO 23 Ca 0.15 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3kx6 n PRO 23 Cb 0.25 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 3kx6 n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kx6 n GLY 24 N 3.11 0.75 3.33 -1.23 0.00 -1.26 -5.04 105.19 104.85 3kx6 n GLY 24 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 3kx6 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kx6 s LYS 25 N -0.41 1.27 0.00 1.61 1.02 -0.59 -4.61 119.74 118.02 3kx6 s LYS 25 Ca 0.00 -1.37 0.00 0.00 0.02 0.00 0.00 55.97 54.62 3kx6 s LYS 25 Cb 0.00 -1.40 0.00 0.00 -0.52 0.00 0.00 37.83 35.91 3kx6 s LYS 25 CO 0.00 0.30 0.00 0.41 -0.92 0.00 0.00 175.35 175.14 3kx6 n GLY 26 N 0.45 3.95 3.49 -3.33 0.00 -0.27 -4.68 105.19 104.81 3kx6 n GLY 26 Ca -0.14 -1.47 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 3kx6 n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kx6 s ILE 27 N -1.97 3.53 -0.31 -0.61 1.01 0.90 -1.12 121.20 122.63 3kx6 s ILE 27 Ca 0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 60.65 59.94 3kx6 s ILE 27 Cb 0.00 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 3kx6 s ILE 27 CO 0.00 0.55 0.60 -0.22 0.00 0.00 0.00 174.94 175.87 3kx6 s LEU 28 N -0.16 4.16 -0.72 2.97 2.96 -0.63 -2.09 118.68 125.16 3kx6 s LEU 28 Ca 0.01 0.38 -0.20 0.00 -0.22 0.00 0.00 54.13 54.10 3kx6 s LEU 28 Cb -0.13 -2.76 0.10 0.00 0.50 0.00 0.00 46.19 43.90 3kx6 s LEU 28 CO 0.03 -0.46 0.91 0.00 -1.32 0.00 0.00 176.35 175.51 3kx6 s ALA 29 N 2.54 3.33 -0.38 5.97 0.00 -0.07 -1.31 121.76 131.85 3kx6 s ALA 29 Ca 0.24 -2.29 0.06 0.00 0.00 0.00 0.00 51.96 49.97 3kx6 s ALA 29 Cb -0.15 -3.78 0.52 0.00 0.00 0.00 0.00 23.12 19.70 3kx6 s ALA 29 CO 0.12 -2.67 1.59 0.00 0.00 0.00 0.00 175.76 174.80 3kx6 n ALA 30 N 6.76 4.97 -1.20 0.00 0.00 -0.46 -4.22 120.51 126.37 3kx6 n ALA 30 Ca 0.02 -3.26 -0.14 0.00 0.00 0.00 0.00 53.44 50.06 3kx6 n ALA 30 Cb 0.45 -0.96 0.23 0.00 0.00 0.00 0.00 19.45 19.18 3kx6 n ALA 30 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kx6 n ASP 31 N -1.04 3.89 -4.71 0.00 5.75 -0.97 -4.16 116.55 115.31 3kx6 n ASP 31 Ca 0.44 -3.50 -0.42 0.00 -0.01 0.00 0.00 54.79 51.30 3kx6 n ASP 31 Cb 1.08 -0.77 -0.03 0.00 -1.03 0.00 0.00 41.12 40.37 3kx6 n ASP 31 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3kx6 s GLU 32 N -3.18 4.19 1.08 0.11 8.01 -1.26 -4.37 118.70 123.28 3kx6 s GLU 32 Ca 0.54 2.43 -0.13 0.00 0.01 0.00 0.00 54.97 57.81 3kx6 s GLU 32 Cb 0.45 -3.29 0.23 0.00 -4.31 0.00 0.00 34.13 27.22 3kx6 s GLU 32 CO 0.10 -0.69 1.07 -1.54 0.01 0.00 0.00 175.26 174.21 3kx6 s SER 33 N 1.60 1.86 0.18 -0.19 1.04 -1.26 -4.62 113.70 112.31 3kx6 s SER 33 Ca 0.73 1.19 -0.17 0.00 0.48 0.00 0.00 55.95 58.18 3kx6 s SER 33 Cb -0.44 -1.85 0.12 0.00 0.10 0.00 0.00 66.02 63.95 3kx6 s SER 33 CO 0.32 -3.61 1.65 0.74 0.98 0.00 0.00 173.24 173.33 3kx6 h THR 34 N -2.22 0.52 -0.04 2.02 2.02 -1.99 -0.07 112.91 113.15 3kx6 h THR 34 Ca -0.56 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.55 3kx6 h THR 34 Cb 1.33 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 3kx6 h THR 34 CO 0.54 0.00 -0.29 1.23 0.37 0.00 0.00 175.52 177.37 3kx6 h GLY 35 N -0.02 0.07 0.42 2.16 0.00 -2.01 -2.63 103.07 101.07 3kx6 h GLY 35 Ca 0.22 -0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.42 3kx6 h GLY 35 CO -0.47 0.05 -0.28 -0.84 0.00 0.00 0.00 176.54 174.99 3kx6 h THR 36 N 0.06 1.58 -0.24 4.70 2.02 -1.70 -3.27 112.91 116.07 3kx6 h THR 36 Ca 0.01 -2.07 0.01 0.00 0.77 0.00 0.00 66.41 65.13 3kx6 h THR 36 Cb 0.55 2.90 -0.01 0.00 -1.74 0.00 0.00 68.15 69.85 3kx6 h THR 36 CO 0.04 0.57 0.16 -0.29 0.37 0.00 0.00 175.52 176.36 3kx6 h ILE 37 N -0.55 1.04 -0.58 3.11 6.09 -1.09 -1.41 117.51 124.10 3kx6 h ILE 37 Ca -0.04 -0.10 0.12 0.00 -1.37 0.00 0.00 64.86 63.47 3kx6 h ILE 37 Cb 1.08 0.73 -0.11 0.00 0.47 0.00 0.00 36.82 38.99 3kx6 h ILE 37 CO 0.05 0.05 -0.15 -0.61 -3.07 0.00 0.00 178.15 174.42 3kx6 h GLN 38 N 0.28 -0.01 -0.47 2.19 5.75 -1.51 0.19 115.11 121.54 3kx6 h GLN 38 Ca 0.09 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.51 3kx6 h GLN 38 Cb 0.03 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 3kx6 h GLN 38 CO -0.02 -0.00 -0.01 0.87 -2.65 0.00 0.00 178.83 177.01 3kx6 h LYS 39 N -0.01 0.84 -0.50 1.69 6.56 -1.33 0.22 116.57 124.04 3kx6 h LYS 39 Ca 0.28 -0.27 -0.05 0.00 -1.06 0.00 0.00 60.65 59.55 3kx6 h LYS 39 Cb 0.43 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 32.00 3kx6 h LYS 39 CO -0.60 0.89 0.12 0.00 -2.06 0.00 0.00 179.45 177.79 3kx6 h ARG 40 N 0.69 0.80 -0.28 3.15 2.47 -0.99 -2.77 114.38 117.45 3kx6 h ARG 40 Ca 0.13 -0.20 -0.10 0.00 -1.26 0.00 0.00 59.98 58.55 3kx6 h ARG 40 Cb 0.52 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 3kx6 h ARG 40 CO 0.03 0.78 -0.26 0.74 0.56 0.00 0.00 179.97 181.81 3kx6 h PHE 41 N 0.69 0.63 -1.00 3.04 -1.00 -0.46 -2.94 116.94 115.89 3kx6 h PHE 41 Ca 0.16 -0.14 0.07 0.00 2.81 0.00 0.00 57.97 60.87 3kx6 h PHE 41 Cb 0.34 -0.15 -0.07 0.00 3.61 0.00 0.00 35.95 39.68 3kx6 h PHE 41 CO 0.02 0.77 0.64 -0.44 -1.61 0.00 0.00 178.31 177.69 3kx6 h ASP 42 N 0.49 1.02 -0.03 2.17 3.32 -0.31 -0.54 116.42 122.53 3kx6 h ASP 42 Ca 0.07 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.14 3kx6 h ASP 42 Cb 0.71 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 3kx6 h ASP 42 CO 0.05 0.64 0.03 0.78 -1.72 0.00 0.00 179.24 179.02 3kx6 h ASN 43 N 1.15 0.00 -0.13 6.45 2.35 -1.31 -2.74 115.58 121.36 3kx6 h ASN 43 Ca 0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 3kx6 h ASN 43 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3kx6 h ASN 43 CO -0.19 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 176.92 3kx6 n VAL 44 N -4.04 1.59 -3.10 2.81 0.24 -0.74 -5.00 118.33 110.09 3kx6 n VAL 44 Ca -0.02 -1.61 -0.18 0.00 -2.04 0.00 0.00 64.34 60.49 3kx6 n VAL 44 Cb 0.12 0.09 0.04 0.00 -1.47 0.00 0.00 33.84 32.62 3kx6 n VAL 44 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kx6 n GLY 45 N -0.61 -0.25 3.50 7.63 0.00 -0.66 -4.73 105.19 110.07 3kx6 n GLY 45 Ca 0.12 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3kx6 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kx6 s VAL 46 N -3.14 3.44 0.22 1.61 1.01 -0.30 -4.97 120.40 118.26 3kx6 s VAL 46 Ca 0.35 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 3kx6 s VAL 46 Cb -0.15 -2.41 -0.09 0.00 0.00 0.00 0.00 36.38 33.72 3kx6 s VAL 46 CO 0.43 0.56 1.27 -0.70 0.00 0.00 0.00 175.10 176.66 3kx6 s GLU 47 N -0.36 4.43 -1.25 2.72 2.56 -1.26 -4.19 118.70 121.34 3kx6 s GLU 47 Ca 0.05 2.02 -0.15 0.00 0.00 0.00 0.00 54.97 56.89 3kx6 s GLU 47 Cb -0.12 -3.19 0.14 0.00 2.00 0.00 0.00 34.13 32.96 3kx6 s GLU 47 CO 0.02 -0.17 1.57 -1.71 -0.56 0.00 0.00 175.26 174.42 3kx6 n ASN 48 N 2.21 5.10 -4.70 -1.70 5.15 -1.26 -4.74 115.26 115.32 3kx6 n ASN 48 Ca 0.04 -2.97 -0.23 0.00 -0.60 0.00 0.00 54.58 50.83 3kx6 n ASN 48 Cb 0.43 -1.62 -0.06 0.00 -0.53 0.00 0.00 39.78 38.00 3kx6 n ASN 48 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3kx6 s THR 49 N 2.29 3.66 0.26 -0.44 -4.23 -1.26 -5.03 115.64 110.89 3kx6 s THR 49 Ca 0.46 -1.76 -0.05 0.00 -1.18 0.00 0.00 61.69 59.16 3kx6 s THR 49 Cb 0.00 -3.00 0.26 0.00 1.34 0.00 0.00 72.50 71.10 3kx6 s THR 49 CO 0.02 -0.35 1.94 -0.08 -0.54 0.00 0.00 174.62 175.61 3kx6 h GLU 50 N 1.75 1.27 -0.54 3.99 4.81 -1.99 -1.78 114.58 122.09 3kx6 h GLU 50 Ca -0.45 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3kx6 h GLU 50 Cb 1.25 -0.29 -0.03 0.00 0.63 0.00 0.00 28.75 30.31 3kx6 h GLU 50 CO 0.61 0.84 0.35 0.87 -0.73 0.00 0.00 179.01 180.95 3kx6 h LYS 51 N 1.31 0.72 -0.59 1.92 1.57 -1.97 0.38 116.57 119.92 3kx6 h LYS 51 Ca 0.36 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 59.02 3kx6 h LYS 51 Cb -0.15 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 31.98 3kx6 h LYS 51 CO -0.08 0.49 0.09 -0.91 -0.57 0.00 0.00 179.45 178.47 3kx6 h ASN 52 N 0.74 0.92 -0.21 0.86 2.35 -1.77 0.17 115.58 118.63 3kx6 h ASN 52 Ca 0.20 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3kx6 h ASN 52 Cb -0.07 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.05 3kx6 h ASN 52 CO -0.04 0.93 0.06 0.03 -1.65 0.00 0.00 177.43 176.75 3kx6 h ARG 53 N 0.91 0.34 -0.23 0.81 3.08 -1.05 -0.11 114.38 118.14 3kx6 h ARG 53 Ca 0.18 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.18 3kx6 h ARG 53 Cb 0.41 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 3kx6 h ARG 53 CO 0.01 0.45 0.05 0.00 -1.07 0.00 0.00 179.97 179.42 3kx6 h ALA 54 N 0.87 0.24 0.03 0.04 0.00 -0.75 -1.44 119.26 118.25 3kx6 h ALA 54 Ca 0.07 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3kx6 h ALA 54 Cb 0.26 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3kx6 h ALA 54 CO -0.00 -0.37 -0.14 1.49 0.00 0.00 0.00 179.25 180.23 3kx6 h GLU 55 N 0.15 -0.24 -0.04 0.00 4.81 -0.55 0.76 114.58 119.47 3kx6 h GLU 55 Ca 0.10 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3kx6 h GLU 55 Cb 0.09 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 3kx6 h GLU 55 CO -0.13 -0.16 0.02 -0.92 -0.73 0.00 0.00 179.01 177.09 3kx6 h TYR 56 N -0.25 0.05 -0.69 0.92 3.20 -0.88 -1.99 116.97 117.32 3kx6 h TYR 56 Ca 0.04 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 3kx6 h TYR 56 Cb 0.30 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 3kx6 h TYR 56 CO -0.18 0.04 0.29 0.00 -1.64 0.00 0.00 178.16 176.67 3kx6 h ARG 57 N 0.04 1.00 -0.71 1.82 -0.00 -1.20 -2.32 114.38 113.01 3kx6 h ARG 57 Ca 0.01 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.98 59.33 3kx6 h ARG 57 Cb 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 29.97 29.77 3kx6 h ARG 57 CO -0.00 0.80 0.42 0.66 0.00 0.00 0.00 179.97 181.85 3kx6 h SER 58 N 0.99 0.86 -0.38 7.04 4.64 -0.48 -0.27 113.55 125.95 3kx6 h SER 58 Ca 0.23 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.47 3kx6 h SER 58 Cb 0.17 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 3kx6 h SER 58 CO -0.02 0.67 0.11 0.40 -0.87 0.00 0.00 176.83 177.12 3kx6 h ILE 59 N 0.98 1.22 -0.24 0.95 2.04 -0.88 -1.55 117.51 120.03 3kx6 h ILE 59 Ca 0.26 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.44 3kx6 h ILE 59 Cb -0.02 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 3kx6 h ILE 59 CO -0.05 0.25 -0.03 -0.07 0.00 0.00 0.00 178.15 178.25 3kx6 h LEU 60 N 0.46 -0.16 -0.10 1.44 3.38 -0.91 -3.11 115.31 116.30 3kx6 h LEU 60 Ca 0.12 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3kx6 h LEU 60 Cb 0.27 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3kx6 h LEU 60 CO -0.00 -0.05 -0.06 0.49 0.09 0.00 0.00 178.44 178.90 3kx6 n PHE 61 N -5.19 0.00 -0.84 1.13 3.72 -0.16 -2.43 117.46 113.69 3kx6 n PHE 61 Ca -0.02 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.47 3kx6 n PHE 61 Cb 0.13 -0.24 0.27 0.00 -0.94 0.00 0.00 39.48 38.70 3kx6 n PHE 61 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3kx6 n THR 62 N -1.15 2.13 -2.11 4.37 -2.24 -0.62 -4.54 114.28 110.12 3kx6 n THR 62 Ca 0.14 -1.65 -0.43 0.00 -2.27 0.00 0.00 64.05 59.84 3kx6 n THR 62 Cb 0.26 -0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 3kx6 n THR 62 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3kx6 s THR 63 N -2.49 3.67 0.09 4.28 2.01 -1.02 -4.93 115.64 117.25 3kx6 s THR 63 Ca 0.41 0.74 -0.31 0.00 0.31 0.00 0.00 61.69 62.85 3kx6 s THR 63 Cb 0.32 -3.73 -0.10 0.00 0.01 0.00 0.00 72.50 69.00 3kx6 s THR 63 CO 0.12 -0.34 1.89 2.29 -0.69 0.00 0.00 174.62 177.89 3kx6 n LYS 64 N 7.81 2.84 -1.00 4.92 0.00 -1.26 -2.01 118.16 129.47 3kx6 n LYS 64 Ca 0.19 1.04 0.00 0.00 -0.00 0.00 0.00 58.31 59.54 3kx6 n LYS 64 Cb 0.46 -2.96 0.00 0.00 -0.00 0.00 0.00 35.03 32.53 3kx6 n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kx6 n GLY 65 N 4.36 0.54 0.35 2.58 0.00 -1.26 -4.93 105.19 106.83 3kx6 n GLY 65 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 3kx6 n GLY 65 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kx6 h LEU 66 N 0.00 0.49 0.00 0.99 5.85 -1.75 -1.72 115.31 119.17 3kx6 h LEU 66 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3kx6 h LEU 66 Cb 0.01 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3kx6 h LEU 66 CO 0.00 0.30 0.00 0.61 -0.34 0.00 0.00 178.44 179.01 3kx6 n GLY 67 N -1.49 -0.71 0.20 3.75 0.00 -1.25 -1.09 105.19 104.60 3kx6 n GLY 67 Ca 0.10 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.14 3kx6 n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kx6 h LYS 68 N 0.00 0.00 0.00 1.61 1.57 -1.58 -3.34 116.57 114.82 3kx6 h LYS 68 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kx6 h LYS 68 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 3kx6 h LYS 68 CO 0.00 0.33 -1.35 0.66 -0.57 0.00 0.00 179.45 178.53 3kx6 n TYR 69 N -3.58 0.00 -4.31 -1.35 4.01 -0.25 -4.80 117.16 106.89 3kx6 n TYR 69 Ca -0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.40 3kx6 n TYR 69 Cb 0.46 -0.18 -0.15 0.00 -0.31 0.00 0.00 39.34 39.16 3kx6 n TYR 69 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3kx6 s ILE 70 N -2.51 2.52 -0.11 -0.72 -1.09 -0.43 -1.11 121.20 117.75 3kx6 s ILE 70 Ca -0.03 -0.80 0.16 0.00 -2.23 0.00 0.00 60.65 57.75 3kx6 s ILE 70 Cb 0.05 -2.07 -0.23 0.00 -1.58 0.00 0.00 42.46 38.63 3kx6 s ILE 70 CO 0.31 0.51 0.47 -1.54 -1.23 0.00 0.00 174.94 173.46 3kx6 n SER 71 N 4.37 0.52 -3.77 3.58 3.41 -0.28 -4.35 113.62 117.11 3kx6 n SER 71 Ca -0.20 0.24 -0.13 0.00 -0.26 0.00 0.00 58.87 58.53 3kx6 n SER 71 Cb 0.51 0.44 -0.09 0.00 -0.26 0.00 0.00 64.21 64.81 3kx6 n SER 71 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3kx6 s GLY 72 N -5.17 -0.16 -0.09 5.00 0.00 -1.23 -1.14 107.32 104.53 3kx6 s GLY 72 Ca -0.06 0.44 -0.00 0.00 0.00 0.00 0.00 44.72 45.09 3kx6 s GLY 72 CO 0.83 0.25 -0.06 0.00 0.00 0.00 0.00 173.10 174.12 3kx6 s ILE 74 N 1.57 5.01 0.17 0.00 1.01 -0.42 -0.49 121.20 128.05 3kx6 s ILE 74 Ca 0.01 1.47 0.08 0.00 0.00 0.00 0.00 60.65 62.21 3kx6 s ILE 74 Cb -0.13 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 3kx6 s ILE 74 CO -0.06 0.20 -0.04 -0.76 0.00 0.00 0.00 174.94 174.28 3kx6 s LEU 75 N 1.15 3.18 0.42 2.97 1.43 0.07 -1.35 118.68 126.56 3kx6 s LEU 75 Ca 0.37 -0.45 -0.18 0.00 -1.03 0.00 0.00 54.13 52.84 3kx6 s LEU 75 Cb -0.17 -1.86 -0.09 0.00 0.03 0.00 0.00 46.19 44.09 3kx6 s LEU 75 CO 0.17 0.10 0.89 0.12 0.23 0.00 0.00 176.35 177.86 3kx6 s PHE 76 N -1.67 3.37 0.26 0.29 5.36 -1.26 -1.26 117.98 123.07 3kx6 s PHE 76 Ca 0.26 1.44 -0.02 0.00 -0.96 0.00 0.00 56.93 57.65 3kx6 s PHE 76 Cb -0.09 -2.73 0.54 0.00 -0.34 0.00 0.00 43.02 40.40 3kx6 s PHE 76 CO 0.17 -0.12 1.70 1.49 -1.46 0.00 0.00 175.22 177.00 3kx6 h GLU 77 N 1.71 0.33 -0.33 10.12 4.81 -1.93 -1.17 114.58 128.12 3kx6 h GLU 77 Ca -0.48 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 58.80 3kx6 h GLU 77 Cb 1.18 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 30.40 3kx6 h GLU 77 CO 0.62 0.22 -0.29 1.49 -0.73 0.00 0.00 179.01 180.32 3kx6 h GLU 78 N 0.34 -0.24 -0.46 1.92 4.81 -1.98 -2.25 114.58 116.72 3kx6 h GLU 78 Ca 0.46 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.66 3kx6 h GLU 78 Cb 0.79 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 3kx6 h GLU 78 CO -0.50 -0.16 0.12 1.15 -0.73 0.00 0.00 179.01 178.89 3kx6 h THR 79 N -0.25 1.20 0.00 0.32 2.02 -1.62 -1.57 112.91 113.01 3kx6 h THR 79 Ca 0.16 -0.71 -0.00 0.00 0.77 0.00 0.00 66.41 66.62 3kx6 h THR 79 Cb 0.51 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3kx6 h THR 79 CO -0.48 0.26 -0.01 0.25 0.37 0.00 0.00 175.52 175.91 3kx6 h LEU 80 N 0.67 0.00 -3.25 2.58 5.85 -0.99 -2.16 115.31 118.02 3kx6 h LEU 80 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3kx6 h LEU 80 Cb 0.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3kx6 h LEU 80 CO -0.00 0.01 0.00 0.49 -0.34 0.00 0.00 178.44 178.60 3kx6 n PHE 81 N -4.48 1.12 -4.09 1.25 3.72 -0.61 -4.66 117.46 109.70 3kx6 n PHE 81 Ca -0.03 -0.78 -0.28 0.00 -0.05 0.00 0.00 57.45 56.32 3kx6 n PHE 81 Cb 0.10 -0.30 -0.06 0.00 -0.94 0.00 0.00 39.48 38.28 3kx6 n PHE 81 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 3kx6 s GLN 82 N -2.47 2.82 -0.02 -1.08 0.74 -0.81 -5.02 119.66 113.82 3kx6 s GLN 82 Ca 0.42 -0.84 -0.06 0.00 0.05 0.00 0.00 55.36 54.93 3kx6 s GLN 82 Cb 0.32 -2.63 -0.04 0.00 1.10 0.00 0.00 33.01 31.76 3kx6 s GLN 82 CO 0.12 0.51 0.23 -0.65 -0.55 0.00 0.00 175.29 174.95 3kx6 s GLN 83 N -2.84 3.53 0.98 1.67 -0.21 -1.26 -1.77 119.66 119.77 3kx6 s GLN 83 Ca 0.30 -0.13 -0.12 0.00 0.02 0.00 0.00 55.36 55.42 3kx6 s GLN 83 Cb -0.11 -3.10 0.18 0.00 1.00 0.00 0.00 33.01 30.98 3kx6 s GLN 83 CO 0.22 0.68 1.11 0.00 -2.12 0.00 0.00 175.29 175.17 3kx6 s ALA 84 N -1.26 1.14 0.56 6.09 0.00 0.13 -4.85 121.76 123.58 3kx6 s ALA 84 Ca 0.25 -0.44 0.26 0.00 0.00 0.00 0.00 51.96 52.03 3kx6 s ALA 84 Cb -0.13 -3.08 1.50 0.00 0.00 0.00 0.00 23.12 21.41 3kx6 s ALA 84 CO 0.15 -2.72 2.06 -1.35 0.00 0.00 0.00 175.76 173.90 3kx6 h PRO 85 N -1.81 0.00 -0.52 0.00 0.11 -1.87 -0.27 132.00 127.63 3kx6 h PRO 85 Ca -0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3kx6 h PRO 85 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3kx6 h PRO 85 CO 0.59 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.65 3kx6 n ASN 86 N -4.10 2.20 0.00 -2.05 0.23 -1.26 -4.91 115.26 105.37 3kx6 n ASN 86 Ca 0.04 -2.16 0.00 0.00 -0.53 0.00 0.00 54.58 51.93 3kx6 n ASN 86 Cb 0.40 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 3kx6 n ASN 86 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kx6 n GLY 87 N 0.71 2.07 3.78 4.83 0.00 -0.11 -5.04 105.19 111.42 3kx6 n GLY 87 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3kx6 n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kx6 s GLN 88 N -0.43 4.14 0.32 1.61 -0.21 -1.26 -4.74 119.66 119.10 3kx6 s GLN 88 Ca 0.00 1.64 -0.29 0.00 0.02 0.00 0.00 55.36 56.73 3kx6 s GLN 88 Cb 0.00 -2.61 -0.10 0.00 1.00 0.00 0.00 33.01 31.30 3kx6 s GLN 88 CO 0.00 -0.19 1.26 -0.80 -2.12 0.00 0.00 175.29 173.44 3kx6 s ASN 89 N -1.39 6.86 0.25 5.90 0.01 -1.26 0.22 114.94 125.53 3kx6 s ASN 89 Ca 0.57 2.60 -0.03 0.00 -0.71 0.00 0.00 52.86 55.29 3kx6 s ASN 89 Cb -0.26 -2.64 0.45 0.00 0.41 0.00 0.00 41.25 39.21 3kx6 s ASN 89 CO 0.32 -0.46 1.78 0.24 -1.51 0.00 0.00 177.10 177.47 3kx6 h MET 90 N 3.43 0.66 -0.61 -0.60 2.86 -1.60 -1.00 114.93 118.07 3kx6 h MET 90 Ca -0.48 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.12 3kx6 h MET 90 Cb 1.22 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 3kx6 h MET 90 CO 0.66 0.44 0.38 0.28 1.06 0.00 0.00 176.91 179.72 3kx6 h VAL 91 N 0.68 1.17 -0.16 -2.22 2.07 -1.83 -1.85 116.25 114.12 3kx6 h VAL 91 Ca 0.42 -0.35 -0.13 0.00 0.82 0.00 0.00 66.70 67.47 3kx6 h VAL 91 Cb 0.50 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3kx6 h VAL 91 CO -0.31 0.17 -0.46 0.44 0.02 0.00 0.00 177.57 177.44 3kx6 h ASP 92 N 0.83 0.42 -0.83 0.57 3.32 -1.60 -0.29 116.42 118.85 3kx6 h ASP 92 Ca 0.22 -0.20 0.02 0.00 0.02 0.00 0.00 57.03 57.09 3kx6 h ASP 92 Cb -0.06 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 3kx6 h ASP 92 CO -0.04 0.82 0.54 -0.07 -1.72 0.00 0.00 179.24 178.77 3kx6 h LEU 93 N 0.32 0.92 -0.40 1.55 3.38 -0.55 -1.03 115.31 119.50 3kx6 h LEU 93 Ca 0.02 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3kx6 h LEU 93 Cb 0.93 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3kx6 h LEU 93 CO 0.08 0.66 -0.22 -0.07 0.09 0.00 0.00 178.44 178.98 3kx6 h LEU 94 N 1.09 0.88 -1.15 1.67 3.38 -1.08 -2.88 115.31 117.22 3kx6 h LEU 94 Ca 0.31 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3kx6 h LEU 94 Cb -0.08 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 3kx6 h LEU 94 CO -0.08 1.10 0.45 0.03 0.09 0.00 0.00 178.44 180.03 3kx6 h ARG 95 N 0.66 1.03 0.00 1.13 3.08 -0.68 -1.29 114.38 118.32 3kx6 h ARG 95 Ca 0.09 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 3kx6 h ARG 95 Cb 0.78 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 3kx6 h ARG 95 CO 0.06 0.73 -0.23 0.00 -1.07 0.00 0.00 179.97 179.47 3kx6 h ALA 96 N 1.45 1.39 -0.00 0.04 0.00 -1.00 -1.19 119.26 119.95 3kx6 h ALA 96 Ca 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kx6 h ALA 96 Cb -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kx6 h ALA 96 CO -0.05 0.28 -0.06 0.39 0.00 0.00 0.00 179.25 179.81 3kx6 n GLU 97 N -3.93 0.28 -1.73 0.00 -0.58 -0.62 -4.91 120.64 109.15 3kx6 n GLU 97 Ca -0.02 -0.04 -0.07 0.00 -0.42 0.00 0.00 57.16 56.61 3kx6 n GLU 97 Cb 0.31 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.67 3kx6 n GLU 97 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kx6 n GLY 98 N 1.38 0.45 3.65 0.62 0.00 -0.45 -3.88 105.19 106.96 3kx6 n GLY 98 Ca 0.11 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 3kx6 n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kx6 s ILE 99 N -2.31 4.88 0.12 -0.61 1.01 -0.58 -4.89 121.20 118.82 3kx6 s ILE 99 Ca 0.00 -0.00 -0.30 0.00 0.00 0.00 0.00 60.65 60.35 3kx6 s ILE 99 Cb 0.00 -3.20 -0.07 0.00 0.01 0.00 0.00 42.46 39.20 3kx6 s ILE 99 CO 0.00 0.46 1.20 -0.76 0.00 0.00 0.00 174.94 175.85 3kx6 s LEU 100 N 0.34 4.41 0.32 2.97 1.43 -0.29 -4.08 118.68 123.77 3kx6 s LEU 100 Ca 0.04 2.12 -0.27 0.00 -1.03 0.00 0.00 54.13 54.98 3kx6 s LEU 100 Cb -0.12 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.42 3kx6 s LEU 100 CO -0.00 -0.43 1.04 -2.84 0.23 0.00 0.00 176.35 174.35 3kx6 s PRO 101 N 0.51 4.51 0.34 1.29 0.02 -1.26 -1.50 135.00 138.91 3kx6 s PRO 101 Ca 0.56 1.60 0.05 0.00 0.02 0.00 0.00 61.00 63.24 3kx6 s PRO 101 Cb -0.31 -2.95 -0.07 0.00 0.02 0.00 0.00 34.50 31.20 3kx6 s PRO 101 CO 0.32 0.15 0.02 0.20 -0.33 0.00 0.00 177.00 177.37 3kx6 s GLY 102 N -1.24 2.13 -0.05 0.52 0.00 0.36 -0.90 107.32 108.13 3kx6 s GLY 102 Ca 0.49 -2.09 -0.03 0.00 0.00 0.00 0.00 44.72 43.09 3kx6 s GLY 102 CO 0.33 -1.89 0.13 -1.50 0.00 0.00 0.00 173.10 170.17 3kx6 s ILE 103 N -3.09 -0.03 0.01 0.90 1.10 -0.33 -0.75 121.20 119.01 3kx6 s ILE 103 Ca 0.35 0.12 -0.30 0.00 -0.51 0.00 0.00 60.65 60.30 3kx6 s ILE 103 Cb 0.08 -0.20 -0.05 0.00 0.15 0.00 0.00 42.46 42.43 3kx6 s ILE 103 CO 0.15 0.05 1.32 -0.75 -2.11 0.00 0.00 174.94 173.60 3kx6 s LYS 104 N 0.76 4.33 0.00 3.50 2.20 -0.39 -1.44 119.74 128.70 3kx6 s LYS 104 Ca -0.06 1.87 0.05 0.00 -0.36 0.00 0.00 55.97 57.47 3kx6 s LYS 104 Cb -0.08 -3.50 0.01 0.00 -1.51 0.00 0.00 37.83 32.75 3kx6 s LYS 104 CO -0.04 -0.48 0.48 1.33 -0.36 0.00 0.00 175.35 176.28 3kx6 n VAL 105 N 4.47 0.00 -1.96 4.02 0.24 -0.19 -4.65 118.33 120.26 3kx6 n VAL 105 Ca 0.12 -0.46 -0.31 0.00 -2.04 0.00 0.00 64.34 61.65 3kx6 n VAL 105 Cb 0.45 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 3kx6 n VAL 105 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 3kx6 s ASP 106 N -0.82 6.27 -0.23 -1.34 1.47 -1.24 -4.84 116.67 115.94 3kx6 s ASP 106 Ca 0.04 1.46 0.13 0.00 1.18 0.00 0.00 52.55 55.36 3kx6 s ASP 106 Cb 0.04 -2.48 0.51 0.00 -0.34 0.00 0.00 42.92 40.65 3kx6 s ASP 106 CO 0.11 -0.84 1.44 0.29 0.68 0.00 0.00 175.17 176.85 3kx6 n LYS 107 N -2.54 2.34 0.00 2.11 5.02 -0.17 -4.97 118.16 119.96 3kx6 n LYS 107 Ca 0.06 -2.99 0.00 0.00 -2.02 0.00 0.00 58.31 53.36 3kx6 n LYS 107 Cb 0.54 -1.83 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3kx6 n LYS 107 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kx6 n GLY 108 N -0.85 -3.11 3.85 0.72 0.00 -1.26 -4.79 105.19 99.75 3kx6 n GLY 108 Ca 0.27 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 3kx6 n GLY 108 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kx6 s LEU 109 N 0.00 4.19 0.08 0.99 1.43 -1.26 -1.29 118.68 122.82 3kx6 s LEU 109 Ca 0.00 0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.44 3kx6 s LEU 109 Cb 0.00 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 3kx6 s LEU 109 CO 0.00 0.32 -0.08 0.68 0.23 0.00 0.00 176.35 177.50 3kx6 s VAL 110 N -1.17 0.74 0.34 -1.59 -7.23 -0.23 -4.96 120.40 106.30 3kx6 s VAL 110 Ca 0.21 -1.61 -0.27 0.00 -1.81 0.00 0.00 61.98 58.51 3kx6 s VAL 110 Cb -0.12 -1.29 -0.09 0.00 0.56 0.00 0.00 36.38 35.43 3kx6 s VAL 110 CO 0.12 -0.64 1.07 0.42 -0.31 0.00 0.00 175.10 175.76 3kx6 s THR 111 N -2.63 3.62 -0.04 5.32 -4.23 -1.26 -0.10 115.64 116.32 3kx6 s THR 111 Ca 0.04 1.41 -0.26 0.00 -1.18 0.00 0.00 61.69 61.70 3kx6 s THR 111 Cb -0.02 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.98 3kx6 s THR 111 CO -0.02 0.18 0.82 -0.63 -0.54 0.00 0.00 174.62 174.43 3kx6 s ILE 112 N -1.43 4.97 0.49 2.99 1.01 0.09 -4.79 121.20 124.53 3kx6 s ILE 112 Ca 0.52 1.71 -0.24 0.00 0.00 0.00 0.00 60.65 62.64 3kx6 s ILE 112 Cb -0.27 -4.16 -0.07 0.00 0.01 0.00 0.00 42.46 37.98 3kx6 s ILE 112 CO 0.34 0.21 1.35 -2.84 0.00 0.00 0.00 174.94 173.99 3kx6 s PRO 113 N 0.94 3.51 -1.38 2.79 0.02 -1.26 -2.81 135.00 136.80 3kx6 s PRO 113 Ca 0.44 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.67 3kx6 s PRO 113 Cb -0.19 -2.47 0.00 0.00 0.02 0.00 0.00 34.50 31.86 3kx6 s PRO 113 CO 0.22 -0.89 0.00 0.09 -0.33 0.00 0.00 177.00 176.09 3kx6 n ASN 114 N -0.53 -4.63 -4.65 2.53 3.02 -1.26 -5.02 115.26 104.72 3kx6 n ASN 114 Ca 0.07 0.10 -0.26 0.00 -0.03 0.00 0.00 54.58 54.46 3kx6 n ASN 114 Cb 0.44 -3.68 -0.10 0.00 -0.61 0.00 0.00 39.78 35.84 3kx6 n ASN 114 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3kx6 s THR 115 N -2.69 2.19 -1.27 3.41 -4.23 -1.12 -5.05 115.64 106.87 3kx6 s THR 115 Ca 0.00 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 58.45 3kx6 s THR 115 Cb 0.00 -2.94 0.15 0.00 1.34 0.00 0.00 72.50 71.05 3kx6 s THR 115 CO 0.00 -0.05 1.71 -0.67 -0.54 0.00 0.00 174.62 175.08 3kx6 n ASP 116 N -1.02 5.03 -3.46 3.99 2.03 -1.26 -4.55 116.55 117.30 3kx6 n ASP 116 Ca -0.04 -3.02 -0.25 0.00 0.52 0.00 0.00 54.79 52.01 3kx6 n ASP 116 Cb 0.65 -1.56 0.04 0.00 -0.72 0.00 0.00 41.12 39.53 3kx6 n ASP 116 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3kx6 n GLU 117 N 5.22 -5.61 -2.46 -0.67 -0.58 -1.26 -5.00 120.64 110.28 3kx6 n GLU 117 Ca 0.40 0.74 -0.29 0.00 -0.42 0.00 0.00 57.16 57.59 3kx6 n GLU 117 Cb 0.40 -5.63 -0.00 0.00 -0.57 0.00 0.00 31.44 25.63 3kx6 n GLU 117 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3kx6 s GLU 118 N -6.15 3.61 0.18 3.49 2.02 -1.26 -4.95 118.70 115.63 3kx6 s GLU 118 Ca 0.49 0.41 0.08 0.00 0.02 0.00 0.00 54.97 55.97 3kx6 s GLU 118 Cb -0.23 -2.29 -0.04 0.00 0.10 0.00 0.00 34.13 31.66 3kx6 s GLU 118 CO 0.60 -0.28 -0.17 0.14 0.02 0.00 0.00 175.26 175.58 3kx6 s VAL 119 N -2.79 1.79 0.04 2.63 -7.23 -1.26 -0.73 120.40 112.85 3kx6 s VAL 119 Ca 0.50 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.76 3kx6 s VAL 119 Cb -0.10 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 3kx6 s VAL 119 CO 0.45 -0.40 -0.26 -0.55 -0.31 0.00 0.00 175.10 174.03 3kx6 s SER 120 N -2.86 3.08 -0.12 4.85 0.15 0.86 -4.78 113.70 114.88 3kx6 s SER 120 Ca 0.18 -0.57 -0.13 0.00 0.70 0.00 0.00 55.95 56.12 3kx6 s SER 120 Cb -0.04 -0.28 -0.05 0.00 -1.71 0.00 0.00 66.02 63.94 3kx6 s SER 120 CO 0.07 0.25 0.30 -0.89 1.20 0.00 0.00 173.24 174.17 3kx6 s THR 121 N -0.79 5.28 0.27 6.45 2.01 -1.26 -1.07 115.64 126.54 3kx6 s THR 121 Ca 0.11 0.56 0.06 0.00 0.31 0.00 0.00 61.69 62.73 3kx6 s THR 121 Cb -0.10 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 3kx6 s THR 121 CO 0.02 0.45 0.35 0.42 -0.69 0.00 0.00 174.62 175.17 3kx6 s THR 122 N -0.02 4.67 0.00 -0.82 -4.23 -0.41 -4.87 115.64 109.95 3kx6 s THR 122 Ca 0.18 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.58 3kx6 s THR 122 Cb -0.14 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.10 3kx6 s THR 122 CO 0.06 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 3kx6 n GLY 123 N -1.42 -0.38 0.18 3.99 0.00 -1.26 -1.00 105.19 105.30 3kx6 n GLY 123 Ca -0.06 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.99 3kx6 n GLY 123 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kx6 h LEU 124 N 0.00 0.00 -9.39 0.99 3.38 -1.91 -3.37 115.31 105.02 3kx6 h LEU 124 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 3kx6 h LEU 124 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kx6 h LEU 124 CO 0.00 0.42 0.88 -1.81 0.09 0.00 0.00 178.44 178.02 3kx6 s ASP 125 N -6.69 6.78 -0.81 -0.43 1.01 -1.26 -2.08 116.67 113.20 3kx6 s ASP 125 Ca -0.01 2.21 0.00 0.00 0.71 0.00 0.00 52.55 55.46 3kx6 s ASP 125 Cb 0.13 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.50 3kx6 s ASP 125 CO 0.71 -0.77 0.00 0.61 0.21 0.00 0.00 175.17 175.94 3kx6 n GLY 126 N 3.74 0.86 0.30 0.21 0.00 -1.26 -4.91 105.19 104.13 3kx6 n GLY 126 Ca 0.14 -0.18 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 3kx6 n GLY 126 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kx6 h LEU 127 N 0.00 0.93 -0.49 0.99 5.85 -1.58 -2.16 115.31 118.86 3kx6 h LEU 127 Ca -0.16 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.52 3kx6 h LEU 127 Cb 0.82 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 3kx6 h LEU 127 CO 0.23 0.78 0.19 0.00 -0.34 0.00 0.00 178.44 179.30 3kx6 h ALA 128 N 1.20 0.60 -0.39 1.25 0.00 -1.90 0.21 119.26 120.22 3kx6 h ALA 128 Ca 0.26 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.10 3kx6 h ALA 128 Cb 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3kx6 h ALA 128 CO -0.04 -0.19 -0.26 0.93 0.00 0.00 0.00 179.25 179.69 3kx6 h GLU 129 N 0.38 0.82 -0.25 0.00 3.07 -1.92 -1.40 114.58 115.27 3kx6 h GLU 129 Ca 0.23 -0.35 -0.05 0.00 -0.50 0.00 0.00 59.36 58.68 3kx6 h GLU 129 Cb 0.22 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 3kx6 h GLU 129 CO -0.22 0.98 -0.05 0.00 -1.40 0.00 0.00 179.01 178.32 3kx6 h ARG 130 N 0.70 0.48 -0.66 2.33 3.08 -0.74 -2.27 114.38 117.31 3kx6 h ARG 130 Ca 0.09 -0.18 0.11 0.00 0.07 0.00 0.00 59.98 60.07 3kx6 h ARG 130 Cb 0.79 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.73 3kx6 h ARG 130 CO 0.07 0.70 0.24 0.00 -1.07 0.00 0.00 179.97 179.90 3kx6 h GLN 132 N 0.41 0.61 -0.72 0.00 4.20 -1.12 0.78 115.11 119.27 3kx6 h GLN 132 Ca 0.34 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.91 3kx6 h GLN 132 Cb 0.46 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 3kx6 h GLN 132 CO -0.35 0.48 0.18 -0.22 -0.67 0.00 0.00 178.83 178.25 3kx6 h LYS 133 N 0.57 1.14 -0.42 1.46 3.64 -0.80 -1.36 116.57 120.81 3kx6 h LYS 133 Ca 0.15 -0.27 -0.13 0.00 -1.27 0.00 0.00 60.65 59.14 3kx6 h LYS 133 Cb 0.04 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3kx6 h LYS 133 CO -0.03 1.00 -0.23 1.88 -2.27 0.00 0.00 179.45 179.81 3kx6 h TYR 134 N 1.08 1.04 -0.45 1.91 0.05 -0.30 -1.85 116.97 118.46 3kx6 h TYR 134 Ca 0.23 -0.26 0.03 0.00 0.05 0.00 0.00 58.73 58.77 3kx6 h TYR 134 Cb 0.37 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.84 3kx6 h TYR 134 CO 0.03 1.06 0.25 -0.92 -1.05 0.00 0.00 178.16 177.53 3kx6 h TYR 135 N 0.72 0.47 -0.09 4.88 3.20 -0.70 -1.12 116.97 124.33 3kx6 h TYR 135 Ca 0.09 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 3kx6 h TYR 135 Cb 0.80 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 3kx6 h TYR 135 CO 0.06 0.26 -0.05 -0.91 -1.64 0.00 0.00 178.16 175.88 3kx6 h ASN 136 N 0.50 0.11 0.44 -2.11 2.35 -1.03 -1.11 115.58 114.73 3kx6 h ASN 136 Ca 0.18 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3kx6 h ASN 136 Cb 0.04 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.39 3kx6 h ASN 136 CO -0.10 0.18 0.00 0.00 -1.65 0.00 0.00 177.43 175.86 3kx6 n ALA 137 N -2.51 2.43 0.00 -0.83 0.00 -0.72 -4.91 120.51 113.98 3kx6 n ALA 137 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3kx6 n ALA 137 Cb 0.17 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.16 3kx6 n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kx6 n GLY 138 N 1.07 0.92 3.77 0.00 0.00 -0.42 -4.96 105.19 105.56 3kx6 n GLY 138 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3kx6 n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kx6 s ALA 139 N -2.00 3.38 0.00 4.61 0.00 -0.47 -4.42 121.76 122.86 3kx6 s ALA 139 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3kx6 s ALA 139 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3kx6 s ALA 139 CO 0.00 -0.49 0.37 0.54 0.00 0.00 0.00 175.76 176.18 3kx6 n ARG 140 N 0.71 -0.14 -3.76 0.00 5.12 -0.08 -4.17 116.66 114.34 3kx6 n ARG 140 Ca 0.01 -0.37 -0.10 0.00 -1.93 0.00 0.00 57.85 55.46 3kx6 n ARG 140 Cb 0.44 -0.86 -0.06 0.00 -1.16 0.00 0.00 32.46 30.81 3kx6 n ARG 140 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 3kx6 s PHE 141 N -0.09 -0.01 0.26 -1.55 -0.12 -1.24 -2.15 117.98 113.08 3kx6 s PHE 141 Ca 0.00 -0.35 0.05 0.00 -0.05 0.00 0.00 56.93 56.58 3kx6 s PHE 141 Cb 0.00 0.07 -0.06 0.00 -0.63 0.00 0.00 43.02 42.41 3kx6 s PHE 141 CO 0.00 -0.60 -0.03 0.00 -0.05 0.00 0.00 175.22 174.55 3kx6 s ALA 142 N -3.70 2.12 -0.02 1.99 0.00 0.72 -1.19 121.76 121.69 3kx6 s ALA 142 Ca 0.03 -1.86 -0.03 0.00 0.00 0.00 0.00 51.96 50.11 3kx6 s ALA 142 Cb 0.03 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.50 3kx6 s ALA 142 CO -0.11 -0.16 0.07 0.21 0.00 0.00 0.00 175.76 175.77 3kx6 s LYS 143 N -3.80 0.17 -0.09 0.00 2.20 -0.52 -0.26 119.74 117.44 3kx6 s LYS 143 Ca 0.29 -0.06 -0.04 0.00 -0.36 0.00 0.00 55.97 55.80 3kx6 s LYS 143 Cb 0.05 0.07 0.05 0.00 -1.51 0.00 0.00 37.83 36.49 3kx6 s LYS 143 CO 0.11 -0.03 0.19 -0.46 -0.36 0.00 0.00 175.35 174.80 3kx6 s TRP 144 N -0.36 -0.25 -0.28 4.03 -0.11 -1.21 -1.02 118.94 119.73 3kx6 s TRP 144 Ca -0.04 0.70 -0.10 0.00 1.22 0.00 0.00 56.10 57.87 3kx6 s TRP 144 Cb -0.03 -0.16 -0.04 0.00 -1.50 0.00 0.00 33.47 31.74 3kx6 s TRP 144 CO 0.00 -0.28 0.17 0.50 -4.62 0.00 0.00 176.95 172.72 3kx6 s ARG 145 N 2.11 3.79 0.09 5.86 3.52 -1.26 -3.21 118.95 129.85 3kx6 s ARG 145 Ca 0.00 -0.42 0.02 0.00 -0.13 0.00 0.00 55.73 55.20 3kx6 s ARG 145 Cb -0.12 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.63 3kx6 s ARG 145 CO -0.07 -0.23 0.16 0.00 -0.81 0.00 0.00 175.30 174.36 3kx6 s ALA 146 N 1.72 3.81 -0.06 6.12 0.00 -0.07 -4.79 121.76 128.48 3kx6 s ALA 146 Ca 0.07 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.09 3kx6 s ALA 146 Cb -0.16 -1.64 0.01 0.00 0.00 0.00 0.00 23.12 21.33 3kx6 s ALA 146 CO 0.09 0.74 -0.10 0.08 0.00 0.00 0.00 175.76 176.57 3kx6 s VAL 147 N -1.51 0.96 0.10 0.00 1.01 -1.26 -0.48 120.40 119.22 3kx6 s VAL 147 Ca 0.33 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 62.00 3kx6 s VAL 147 Cb -0.12 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 3kx6 s VAL 147 CO 0.25 0.31 -0.20 -0.76 0.00 0.00 0.00 175.10 174.71 3kx6 s LEU 148 N 0.68 2.29 0.08 3.92 1.02 -0.29 -4.49 118.68 121.89 3kx6 s LEU 148 Ca -0.13 -0.67 0.08 0.00 0.02 0.00 0.00 54.13 53.42 3kx6 s LEU 148 Cb -0.15 -0.85 -0.04 0.00 0.02 0.00 0.00 46.19 45.18 3kx6 s LEU 148 CO 0.03 0.05 -0.16 -0.44 0.02 0.00 0.00 176.35 175.84 3kx6 s SER 149 N -1.86 3.95 -0.17 2.29 0.01 -1.26 -0.83 113.70 115.83 3kx6 s SER 149 Ca 0.05 -0.46 -0.07 0.00 1.31 0.00 0.00 55.95 56.78 3kx6 s SER 149 Cb -0.10 -0.63 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 3kx6 s SER 149 CO 0.04 0.22 0.08 -0.63 0.41 0.00 0.00 173.24 173.35 3kx6 s ILE 150 N -1.05 4.94 -0.31 1.44 1.01 -1.26 -1.95 121.20 124.02 3kx6 s ILE 150 Ca 0.17 0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.88 3kx6 s ILE 150 Cb -0.11 -3.21 0.18 0.00 0.01 0.00 0.00 42.46 39.33 3kx6 s ILE 150 CO 0.08 0.48 0.51 -0.62 0.00 0.00 0.00 174.94 175.40 3kx6 s ASP 151 N 0.13 -0.62 0.35 3.58 -1.08 -0.53 -4.81 116.67 113.69 3kx6 s ASP 151 Ca 0.06 -0.30 0.05 0.00 -0.52 0.00 0.00 52.55 51.84 3kx6 s ASP 151 Cb -0.12 1.55 0.65 0.00 -1.46 0.00 0.00 42.92 43.55 3kx6 s ASP 151 CO 0.00 -0.30 1.91 0.58 0.52 0.00 0.00 175.17 177.88 3kx6 h VAL 152 N 5.86 1.18 0.00 1.11 2.07 -1.97 0.02 116.25 124.52 3kx6 h VAL 152 Ca -0.03 -0.68 -0.09 0.00 0.82 0.00 0.00 66.70 66.73 3kx6 h VAL 152 Cb 1.15 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3kx6 h VAL 152 CO 0.19 0.24 -0.41 0.11 0.02 0.00 0.00 177.57 177.72 3kx6 h LYS 153 N 0.50 0.00 -0.51 1.57 6.56 -1.96 -2.97 116.57 119.76 3kx6 h LYS 153 Ca 0.11 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 3kx6 h LYS 153 Cb 0.26 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.92 3kx6 h LYS 153 CO 0.00 0.41 0.00 1.63 -2.06 0.00 0.00 179.45 179.44 3kx6 n LYS 154 N -3.81 2.98 -3.74 3.15 5.02 -0.95 -4.99 118.16 115.83 3kx6 n LYS 154 Ca -0.01 -2.45 -0.22 0.00 -2.02 0.00 0.00 58.31 53.61 3kx6 n LYS 154 Cb 0.48 -1.51 0.03 0.00 -0.02 0.00 0.00 35.03 34.00 3kx6 n LYS 154 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3kx6 n ASN 155 N 0.88 -1.30 -4.73 4.39 5.15 -0.23 -4.93 115.26 114.48 3kx6 n ASN 155 Ca 0.19 -0.83 -0.35 0.00 -0.60 0.00 0.00 54.58 52.98 3kx6 n ASN 155 Cb 0.60 -3.95 -0.09 0.00 -0.53 0.00 0.00 39.78 35.82 3kx6 n ASN 155 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3kx6 s LYS 156 N -6.07 3.10 0.12 1.20 1.02 -0.18 -3.15 119.74 115.79 3kx6 s LYS 156 Ca 0.04 -0.34 -0.29 0.00 0.02 0.00 0.00 55.97 55.40 3kx6 s LYS 156 Cb -0.02 -2.89 -0.06 0.00 -0.52 0.00 0.00 37.83 34.33 3kx6 s LYS 156 CO 0.82 0.72 0.94 -1.25 -0.92 0.00 0.00 175.35 175.65 3kx6 s PRO 157 N -0.91 4.70 0.85 -1.68 0.04 -0.82 -1.46 135.00 135.72 3kx6 s PRO 157 Ca 0.14 1.41 -0.11 0.00 0.04 0.00 0.00 61.00 62.48 3kx6 s PRO 157 Cb -0.11 -3.36 0.10 0.00 0.04 0.00 0.00 34.50 31.17 3kx6 s PRO 157 CO 0.03 0.26 1.11 -1.54 0.04 0.00 0.00 177.00 176.90 3kx6 s SER 158 N -0.17 3.71 0.28 6.66 1.04 -1.19 -4.85 113.70 119.18 3kx6 s SER 158 Ca 0.45 1.88 0.02 0.00 0.48 0.00 0.00 55.95 58.79 3kx6 s SER 158 Cb -0.23 -2.48 0.64 0.00 0.10 0.00 0.00 66.02 64.04 3kx6 s SER 158 CO 0.29 -2.55 1.77 0.78 0.98 0.00 0.00 173.24 174.51 3kx6 h ASN 159 N -1.49 0.66 -0.42 7.02 2.35 -2.00 -2.33 115.58 119.37 3kx6 h ASN 159 Ca -0.45 0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.35 3kx6 h ASN 159 Cb 1.25 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.59 3kx6 h ASN 159 CO 0.49 0.25 0.10 0.25 -1.65 0.00 0.00 177.43 176.87 3kx6 h LEU 160 N 0.70 0.64 -0.78 1.61 5.85 -1.99 0.16 115.31 121.50 3kx6 h LEU 160 Ca 0.52 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 59.07 3kx6 h LEU 160 Cb 0.77 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 3kx6 h LEU 160 CO -0.37 0.70 0.47 -1.28 -0.34 0.00 0.00 178.44 177.62 3kx6 h SER 161 N 0.54 0.72 -0.17 1.25 0.87 -1.79 -0.87 113.55 114.10 3kx6 h SER 161 Ca 0.13 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.61 3kx6 h SER 161 Cb 0.32 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 3kx6 h SER 161 CO 0.00 0.46 -0.32 0.40 -0.53 0.00 0.00 176.83 176.84 3kx6 h ILE 162 N 0.85 1.35 0.12 2.23 2.04 -0.92 -0.97 117.51 122.21 3kx6 h ILE 162 Ca 0.35 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.64 3kx6 h ILE 162 Cb 0.19 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 3kx6 h ILE 162 CO -0.18 0.47 -0.12 -0.07 0.00 0.00 0.00 178.15 178.25 3kx6 h LEU 163 N 0.15 -0.33 -0.56 1.44 4.07 -0.81 0.10 115.31 119.38 3kx6 h LEU 163 Ca 0.01 0.03 0.01 0.00 0.08 0.00 0.00 57.88 58.01 3kx6 h LEU 163 Cb 0.92 0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.74 3kx6 h LEU 163 CO 0.07 -0.19 0.36 -0.08 -1.08 0.00 0.00 178.44 177.52 3kx6 h GLU 164 N -0.27 0.70 -0.18 1.13 4.57 -1.19 -1.58 114.58 117.77 3kx6 h GLU 164 Ca 0.01 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3kx6 h GLU 164 Cb 0.26 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 3kx6 h GLU 164 CO -0.04 0.47 0.11 1.15 -1.18 0.00 0.00 179.01 179.52 3kx6 h THR 165 N 0.73 1.04 -0.15 0.32 2.02 -0.81 -1.46 112.91 114.60 3kx6 h THR 165 Ca 0.21 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.26 3kx6 h THR 165 Cb -0.05 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 3kx6 h THR 165 CO -0.06 0.04 -0.11 0.00 0.37 0.00 0.00 175.52 175.77 3kx6 h ALA 166 N 1.07 0.21 -0.28 6.16 0.00 -0.87 -1.52 119.26 124.04 3kx6 h ALA 166 Ca 0.07 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3kx6 h ALA 166 Cb -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3kx6 h ALA 166 CO -0.02 0.05 0.15 1.25 0.00 0.00 0.00 179.25 180.69 3kx6 h HIS 167 N -0.02 0.28 -0.22 0.00 -0.00 -1.27 -2.04 115.15 111.88 3kx6 h HIS 167 Ca 0.03 0.01 -0.18 0.00 -0.00 0.00 0.00 60.37 60.23 3kx6 h HIS 167 Cb 0.61 -0.09 -0.00 0.00 -0.00 0.00 0.00 27.41 27.93 3kx6 h HIS 167 CO 0.07 0.16 -0.58 1.15 -0.00 0.00 0.00 177.93 178.74 3kx6 h THR 168 N 0.32 1.30 -0.97 6.26 2.02 -1.23 -1.76 112.91 118.86 3kx6 h THR 168 Ca 0.11 -1.81 0.01 0.00 0.77 0.00 0.00 66.41 65.49 3kx6 h THR 168 Cb 0.01 1.75 -0.05 0.00 -1.74 0.00 0.00 68.15 68.13 3kx6 h THR 168 CO -0.06 0.57 0.63 -0.07 0.37 0.00 0.00 175.52 176.96 3kx6 h LEU 169 N 0.52 1.12 -0.56 2.58 3.38 -1.26 -1.93 115.31 119.16 3kx6 h LEU 169 Ca 0.00 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 3kx6 h LEU 169 Cb 1.16 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3kx6 h LEU 169 CO 0.12 0.82 -0.37 0.00 0.09 0.00 0.00 178.44 179.10 3kx6 h ALA 170 N 1.35 0.74 0.21 1.53 0.00 -1.07 -1.09 119.26 120.93 3kx6 h ALA 170 Ca 0.35 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3kx6 h ALA 170 Cb -0.13 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3kx6 h ALA 170 CO -0.07 0.66 -0.10 0.00 0.00 0.00 0.00 179.25 179.73 3kx6 h ARG 171 N 0.62 -0.27 -0.57 0.00 2.47 -1.18 -0.80 114.38 114.66 3kx6 h ARG 171 Ca 0.06 0.02 0.08 0.00 -1.26 0.00 0.00 59.98 58.87 3kx6 h ARG 171 Cb 0.92 0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 29.23 3kx6 h ARG 171 CO 0.08 -0.13 0.22 -0.92 0.56 0.00 0.00 179.97 179.78 3kx6 h TYR 172 N -0.35 0.39 -0.62 3.04 3.20 -1.29 -1.15 116.97 120.18 3kx6 h TYR 172 Ca -0.03 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 3kx6 h TYR 172 Cb 0.27 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 3kx6 h TYR 172 CO -0.04 0.12 0.15 0.00 -1.64 0.00 0.00 178.16 176.74 3kx6 h ALA 173 N 1.37 0.82 -0.44 1.82 0.00 -1.04 -1.25 119.26 120.55 3kx6 h ALA 173 Ca 0.28 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3kx6 h ALA 173 Cb 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3kx6 h ALA 173 CO -0.27 0.54 0.04 0.00 0.00 0.00 0.00 179.25 179.56 3kx6 h ALA 174 N 1.05 0.59 -0.48 0.00 0.00 -0.81 -2.32 119.26 117.28 3kx6 h ALA 174 Ca 0.19 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3kx6 h ALA 174 Cb 0.37 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3kx6 h ALA 174 CO 0.00 0.34 0.11 0.82 0.00 0.00 0.00 179.25 180.52 3kx6 h ILE 175 N 0.61 1.24 -0.45 0.00 2.04 -1.11 -2.03 117.51 117.80 3kx6 h ILE 175 Ca 0.13 -0.86 0.08 0.00 1.00 0.00 0.00 64.86 65.21 3kx6 h ILE 175 Cb 0.43 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 37.32 3kx6 h ILE 175 CO 0.01 0.31 0.05 0.00 0.00 0.00 0.00 178.15 178.52 3kx6 h GLN 177 N 0.17 0.38 0.00 0.00 4.20 -1.28 0.87 115.11 119.45 3kx6 h GLN 177 Ca 0.23 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 3kx6 h GLN 177 Cb 0.31 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 3kx6 h GLN 177 CO -0.33 0.57 -0.07 1.49 -0.67 0.00 0.00 178.83 179.82 3kx6 h GLU 178 N 0.35 0.00 -0.15 1.46 4.81 -0.80 -3.22 114.58 117.03 3kx6 h GLU 178 Ca 0.06 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.16 3kx6 h GLU 178 Cb 0.54 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.78 3kx6 h GLU 178 CO 0.04 0.07 -0.65 0.09 -0.73 0.00 0.00 179.01 177.82 3kx6 n ASN 179 N -3.38 2.19 0.00 1.04 3.02 0.21 -4.79 115.26 113.56 3kx6 n ASN 179 Ca -0.01 -3.55 0.00 0.00 -0.03 0.00 0.00 54.58 50.99 3kx6 n ASN 179 Cb 0.22 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 3kx6 n ASN 179 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kx6 n GLY 180 N -0.81 0.77 3.52 7.41 0.00 -0.86 -4.51 105.19 110.71 3kx6 n GLY 180 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 3kx6 n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kx6 s LEU 181 N 0.00 3.08 -0.11 0.99 1.43 -0.66 -4.81 118.68 118.59 3kx6 s LEU 181 Ca 0.00 -0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 52.69 3kx6 s LEU 181 Cb 0.00 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 3kx6 s LEU 181 CO 0.00 0.28 1.46 -0.69 0.23 0.00 0.00 176.35 177.63 3kx6 s VAL 182 N -0.31 3.93 -0.06 -1.59 1.01 -0.92 -3.09 120.40 119.38 3kx6 s VAL 182 Ca 0.04 1.12 -0.25 0.00 0.00 0.00 0.00 61.98 62.90 3kx6 s VAL 182 Cb -0.13 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 3kx6 s VAL 182 CO 0.02 -0.11 0.76 -2.16 0.00 0.00 0.00 175.10 173.62 3kx6 s PRO 183 N 3.79 4.46 -0.32 2.72 0.04 -1.26 -0.20 135.00 144.23 3kx6 s PRO 183 Ca 0.64 0.99 -0.23 0.00 0.04 0.00 0.00 61.00 62.44 3kx6 s PRO 183 Cb -0.27 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.81 3kx6 s PRO 183 CO 0.22 0.02 0.79 0.42 0.04 0.00 0.00 177.00 178.50 3kx6 s ILE 184 N 0.90 4.77 -0.47 0.56 1.01 0.64 -1.81 121.20 126.81 3kx6 s ILE 184 Ca 0.40 1.13 -0.21 0.00 0.00 0.00 0.00 60.65 61.97 3kx6 s ILE 184 Cb -0.18 -4.16 0.03 0.00 0.01 0.00 0.00 42.46 38.15 3kx6 s ILE 184 CO 0.20 -0.29 0.71 -0.69 0.00 0.00 0.00 174.94 174.86 3kx6 s VAL 185 N 3.00 4.74 -0.56 2.92 1.01 0.22 -3.36 120.40 128.37 3kx6 s VAL 185 Ca 0.32 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.42 3kx6 s VAL 185 Cb -0.14 -4.29 0.14 0.00 0.00 0.00 0.00 36.38 32.09 3kx6 s VAL 185 CO 0.14 -0.73 0.32 -0.70 0.00 0.00 0.00 175.10 174.13 3kx6 s GLU 186 N 3.03 2.19 -0.89 2.72 2.12 -1.20 -0.82 118.70 125.85 3kx6 s GLU 186 Ca 0.24 -2.59 -0.17 0.00 0.36 0.00 0.00 54.97 52.80 3kx6 s GLU 186 Cb -0.14 -3.46 0.16 0.00 0.26 0.00 0.00 34.13 30.94 3kx6 s GLU 186 CO 0.19 -1.13 1.00 -1.25 -0.54 0.00 0.00 175.26 173.53 3kx6 s PRO 187 N -0.21 3.59 -0.33 4.30 0.04 -1.25 -0.90 135.00 140.24 3kx6 s PRO 187 Ca 0.17 -1.98 -0.25 0.00 0.04 0.00 0.00 61.00 58.98 3kx6 s PRO 187 Cb -0.24 -4.75 0.01 0.00 0.04 0.00 0.00 34.50 29.56 3kx6 s PRO 187 CO -0.01 -1.61 0.86 -2.00 0.04 0.00 0.00 177.00 174.28 3kx6 s GLU 188 N 1.87 3.93 -0.36 4.56 2.12 0.37 -4.42 118.70 126.78 3kx6 s GLU 188 Ca 0.28 0.64 -0.21 0.00 0.36 0.00 0.00 54.97 56.03 3kx6 s GLU 188 Cb -0.07 -3.75 0.00 0.00 0.26 0.00 0.00 34.13 30.57 3kx6 s GLU 188 CO -0.09 -0.79 0.66 0.42 -0.54 0.00 0.00 175.26 174.92 3kx6 s ILE 189 N 3.18 4.86 0.51 -3.70 1.01 -1.26 -1.14 121.20 124.66 3kx6 s ILE 189 Ca 0.35 0.61 -0.22 0.00 0.00 0.00 0.00 60.65 61.39 3kx6 s ILE 189 Cb -0.13 -4.10 -0.06 0.00 0.01 0.00 0.00 42.46 38.17 3kx6 s ILE 189 CO 0.15 -0.35 1.28 -0.76 0.00 0.00 0.00 174.94 175.25 3kx6 s LEU 190 N 2.78 3.92 0.00 2.97 1.43 -0.01 -4.82 118.68 124.94 3kx6 s LEU 190 Ca 0.25 2.57 0.29 0.00 -1.03 0.00 0.00 54.13 56.21 3kx6 s LEU 190 Cb -0.14 -4.26 1.20 0.00 0.03 0.00 0.00 46.19 43.02 3kx6 s LEU 190 CO 0.15 -1.30 1.83 0.00 0.23 0.00 0.00 176.35 177.27 3kx6 n ALA 191 N -0.80 2.68 -1.54 4.21 0.00 -1.26 -4.43 120.51 119.36 3kx6 n ALA 191 Ca 0.09 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 3kx6 n ALA 191 Cb 0.46 -1.25 0.01 0.00 0.00 0.00 0.00 19.45 18.67 3kx6 n ALA 191 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kx6 n ASP 192 N -0.28 0.34 0.00 0.00 9.92 -1.26 -0.88 116.55 124.39 3kx6 n ASP 192 Ca 0.19 0.99 0.00 0.00 -0.53 0.00 0.00 54.79 55.43 3kx6 n ASP 192 Cb 0.30 -1.25 0.00 0.00 -0.64 0.00 0.00 41.12 39.53 3kx6 n ASP 192 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kx6 n GLY 193 N 1.45 -3.04 0.67 0.44 0.00 -1.26 -4.65 105.19 98.80 3kx6 n GLY 193 Ca 0.11 -2.13 0.09 0.00 0.00 0.00 0.00 46.02 44.08 3kx6 n GLY 193 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kx6 n ASP 194 N 0.00 3.46 -4.71 1.61 5.75 -1.26 -0.85 116.55 120.55 3kx6 n ASP 194 Ca 0.00 -3.05 -0.33 0.00 -0.01 0.00 0.00 54.79 51.40 3kx6 n ASP 194 Cb 0.00 -0.52 0.12 0.00 -1.03 0.00 0.00 41.12 39.69 3kx6 n ASP 194 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 3kx6 s HIS 195 N -2.85 1.92 0.70 2.11 -3.43 -1.26 -4.17 115.29 108.32 3kx6 s HIS 195 Ca 0.40 1.65 -0.11 0.00 -0.80 0.00 0.00 55.06 56.19 3kx6 s HIS 195 Cb 0.33 -3.44 0.02 0.00 -1.43 0.00 0.00 32.58 28.05 3kx6 s HIS 195 CO 0.07 -2.70 1.09 -1.54 -2.00 0.00 0.00 174.74 169.66 3kx6 s SER 196 N -2.22 5.44 0.44 7.38 1.04 -1.26 -0.88 113.70 123.63 3kx6 s SER 196 Ca 0.72 1.10 0.10 0.00 0.48 0.00 0.00 55.95 58.35 3kx6 s SER 196 Cb -0.28 -1.90 0.97 0.00 0.10 0.00 0.00 66.02 64.91 3kx6 s SER 196 CO 0.49 -1.33 2.07 -0.29 0.98 0.00 0.00 173.24 175.16 3kx6 h ILE 197 N -0.63 1.08 -0.55 -1.02 2.10 -1.91 -2.47 117.51 114.11 3kx6 h ILE 197 Ca -0.45 -0.19 0.03 0.00 1.08 0.00 0.00 64.86 65.33 3kx6 h ILE 197 Cb 1.26 0.70 -0.04 0.00 -1.09 0.00 0.00 36.82 37.65 3kx6 h ILE 197 CO 0.64 0.08 0.33 -0.33 -1.08 0.00 0.00 178.15 177.80 3kx6 h GLU 198 N 0.38 0.64 -0.32 2.19 3.07 -1.93 0.11 114.58 118.72 3kx6 h GLU 198 Ca 0.10 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.89 3kx6 h GLU 198 Cb -0.01 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.74 3kx6 h GLU 198 CO -0.02 0.42 0.08 0.28 -1.40 0.00 0.00 179.01 178.37 3kx6 h VAL 199 N 0.66 1.22 -0.62 3.13 2.07 -1.83 -1.28 116.25 119.60 3kx6 h VAL 199 Ca 0.22 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 67.04 3kx6 h VAL 199 Cb 0.02 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 3kx6 h VAL 199 CO -0.10 0.25 0.37 0.00 0.02 0.00 0.00 177.57 178.11 3kx6 h ALA 201 N 1.29 0.12 -0.43 0.00 0.00 -0.46 0.13 119.26 119.91 3kx6 h ALA 201 Ca 0.26 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3kx6 h ALA 201 Cb 0.07 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kx6 h ALA 201 CO -0.13 -0.50 0.21 0.93 0.00 0.00 0.00 179.25 179.76 3kx6 h GLU 202 N -0.04 0.63 -0.20 0.00 5.08 -0.65 -1.93 114.58 117.46 3kx6 h GLU 202 Ca 0.12 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3kx6 h GLU 202 Cb 0.22 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3kx6 h GLU 202 CO -0.27 0.54 -0.01 0.28 -1.00 0.00 0.00 179.01 178.55 3kx6 h VAL 203 N 0.56 1.26 -0.40 3.13 2.07 -0.72 -2.29 116.25 119.85 3kx6 h VAL 203 Ca 0.15 -0.92 0.05 0.00 0.82 0.00 0.00 66.70 66.80 3kx6 h VAL 203 Cb 0.12 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 3kx6 h VAL 203 CO -0.02 0.28 0.12 0.74 0.02 0.00 0.00 177.57 178.71 3kx6 h THR 204 N 0.12 0.85 -0.67 2.57 2.02 -0.65 0.04 112.91 117.19 3kx6 h THR 204 Ca 0.06 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 3kx6 h THR 204 Cb 0.42 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 3kx6 h THR 204 CO 0.01 0.05 0.13 -0.33 0.37 0.00 0.00 175.52 175.75 3kx6 h GLU 205 N 0.27 1.09 -0.37 6.66 5.08 -1.29 0.05 114.58 126.07 3kx6 h GLU 205 Ca 0.19 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3kx6 h GLU 205 Cb 0.19 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3kx6 h GLU 205 CO -0.21 0.98 0.09 0.00 -1.00 0.00 0.00 179.01 178.87 3kx6 h ARG 206 N 1.03 0.59 -0.16 2.33 3.08 -0.82 -1.62 114.38 118.79 3kx6 h ARG 206 Ca 0.21 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3kx6 h ARG 206 Cb 0.41 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3kx6 h ARG 206 CO 0.01 0.63 0.03 0.28 -1.07 0.00 0.00 179.97 179.84 3kx6 h VAL 207 N 0.45 1.22 -0.62 2.04 2.07 -0.71 -2.46 116.25 118.23 3kx6 h VAL 207 Ca 0.12 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 3kx6 h VAL 207 Cb 0.30 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 3kx6 h VAL 207 CO 0.00 0.21 0.22 -0.07 0.02 0.00 0.00 177.57 177.95 3kx6 h LEU 208 N 0.06 0.85 -0.33 2.57 3.38 -0.98 0.09 115.31 120.95 3kx6 h LEU 208 Ca 0.05 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3kx6 h LEU 208 Cb 0.30 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3kx6 h LEU 208 CO 0.00 0.78 0.20 0.00 0.09 0.00 0.00 178.44 179.51 3kx6 h ALA 209 N 1.34 0.41 -0.52 1.53 0.00 -1.21 -0.39 119.26 120.42 3kx6 h ALA 209 Ca 0.21 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3kx6 h ALA 209 Cb 0.22 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3kx6 h ALA 209 CO -0.01 -0.16 0.32 0.00 0.00 0.00 0.00 179.25 179.40 3kx6 h ALA 210 N 1.14 0.66 -0.38 0.00 0.00 -0.95 -2.23 119.26 117.52 3kx6 h ALA 210 Ca 0.13 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3kx6 h ALA 210 Cb -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3kx6 h ALA 210 CO -0.06 0.04 0.08 0.28 0.00 0.00 0.00 179.25 179.59 3kx6 h VAL 211 N 0.64 1.23 -0.09 0.00 2.07 -0.63 -1.61 116.25 117.87 3kx6 h VAL 211 Ca 0.20 -0.81 -0.13 0.00 0.82 0.00 0.00 66.70 66.78 3kx6 h VAL 211 Cb -0.01 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3kx6 h VAL 211 CO -0.08 0.28 -0.54 -0.26 0.02 0.00 0.00 177.57 176.99 3kx6 h PHE 212 N 0.47 0.31 -0.40 1.57 0.04 -1.04 0.25 116.94 118.15 3kx6 h PHE 212 Ca 0.12 -0.11 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 3kx6 h PHE 212 Cb 0.34 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 3kx6 h PHE 212 CO 0.02 0.73 0.09 -0.22 -0.60 0.00 0.00 178.31 178.33 3kx6 h LYS 213 N 0.19 0.64 -0.50 1.51 1.63 -1.26 -1.58 116.57 117.20 3kx6 h LYS 213 Ca 0.00 -0.16 -0.02 0.00 -0.85 0.00 0.00 60.65 59.63 3kx6 h LYS 213 Cb 1.01 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.53 3kx6 h LYS 213 CO 0.08 0.67 0.24 0.00 -3.45 0.00 0.00 179.45 177.00 3kx6 h ALA 214 N 0.94 0.64 -0.99 5.00 0.00 -0.98 0.87 119.26 124.74 3kx6 h ALA 214 Ca 0.12 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3kx6 h ALA 214 Cb 0.33 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 3kx6 h ALA 214 CO 0.00 0.20 0.63 -0.07 0.00 0.00 0.00 179.25 180.01 3kx6 h LEU 215 N 0.66 0.98 -0.17 0.00 3.38 -0.80 -0.33 115.31 119.03 3kx6 h LEU 215 Ca 0.17 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3kx6 h LEU 215 Cb 0.11 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3kx6 h LEU 215 CO -0.02 0.60 0.03 -1.13 0.09 0.00 0.00 178.44 178.01 3kx6 h ASN 216 N 1.10 0.27 -0.33 -0.43 -0.73 -0.70 -1.36 115.58 113.40 3kx6 h ASN 216 Ca 0.44 -0.25 0.04 0.00 1.87 0.00 0.00 56.30 58.40 3kx6 h ASN 216 Cb 0.25 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 38.76 3kx6 h ASN 216 CO -0.20 0.45 0.22 0.44 -0.37 0.00 0.00 177.43 177.97 3kx6 h ASP 217 N 0.08 0.25 -0.38 1.15 3.32 -0.24 -1.91 116.42 118.70 3kx6 h ASP 217 Ca 0.05 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3kx6 h ASP 217 Cb 0.29 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3kx6 h ASP 217 CO 0.00 0.17 0.00 1.41 -1.72 0.00 0.00 179.24 179.10 3kx6 n HIS 218 N -4.49 0.49 -3.50 4.55 8.25 -0.19 -4.95 115.22 115.39 3kx6 n HIS 218 Ca 0.03 -0.25 -0.22 0.00 -0.26 0.00 0.00 57.72 57.03 3kx6 n HIS 218 Cb 0.19 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.38 3kx6 n HIS 218 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kx6 n LYS 219 N 0.91 -7.30 -2.73 -0.41 5.02 -0.72 -4.85 118.16 108.09 3kx6 n LYS 219 Ca 0.17 0.76 -0.42 0.00 -2.02 0.00 0.00 58.31 56.81 3kx6 n LYS 219 Cb 0.44 -5.60 -0.03 0.00 -0.02 0.00 0.00 35.03 29.82 3kx6 n LYS 219 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kx6 s VAL 220 N -3.29 4.76 -0.51 -0.18 1.01 -0.55 -5.00 120.40 116.63 3kx6 s VAL 220 Ca 0.53 2.04 -0.27 0.00 0.00 0.00 0.00 61.98 64.27 3kx6 s VAL 220 Cb -0.23 -4.31 0.03 0.00 0.00 0.00 0.00 36.38 31.87 3kx6 s VAL 220 CO 0.67 0.21 1.09 -0.22 0.00 0.00 0.00 175.10 176.85 3kx6 s LEU 221 N 0.68 3.70 0.33 3.92 2.96 -1.26 -4.75 118.68 124.27 3kx6 s LEU 221 Ca 0.50 0.19 0.05 0.00 -0.22 0.00 0.00 54.13 54.65 3kx6 s LEU 221 Cb -0.22 -3.28 0.60 0.00 0.50 0.00 0.00 46.19 43.79 3kx6 s LEU 221 CO 0.28 -1.28 1.86 -0.07 -1.32 0.00 0.00 176.35 175.82 3kx6 h LEU 222 N 11.29 0.47 -2.14 -0.68 3.38 -1.94 -1.82 115.31 123.86 3kx6 h LEU 222 Ca -0.24 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 57.70 3kx6 h LEU 222 Cb 1.06 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3kx6 h LEU 222 CO 1.12 0.56 0.19 -0.33 0.09 0.00 0.00 178.44 180.07 3kx6 h GLU 223 N 0.48 0.00 -0.63 1.13 3.07 -1.91 -2.28 114.58 114.44 3kx6 h GLU 223 Ca 0.10 0.00 -0.41 0.00 -0.50 0.00 0.00 59.36 58.55 3kx6 h GLU 223 Cb 0.36 0.00 -0.25 0.00 -0.84 0.00 0.00 28.75 28.02 3kx6 h GLU 223 CO 0.01 0.00 -0.05 0.41 -1.40 0.00 0.00 179.01 177.98 3kx6 n GLY 224 N -1.49 5.51 3.17 -3.84 0.00 -0.69 -4.25 105.19 103.61 3kx6 n GLY 224 Ca 0.02 -1.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.09 3kx6 n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kx6 s ALA 225 N -3.48 0.96 0.06 4.61 0.00 -0.86 -4.06 121.76 119.00 3kx6 s ALA 225 Ca 0.51 -1.54 0.01 0.00 0.00 0.00 0.00 51.96 50.94 3kx6 s ALA 225 Cb 0.43 1.06 -0.03 0.00 0.00 0.00 0.00 23.12 24.58 3kx6 s ALA 225 CO 0.01 -0.53 -0.05 -0.51 0.00 0.00 0.00 175.76 174.68 3kx6 s LEU 226 N -3.09 2.39 -0.08 0.00 1.43 -0.75 -4.20 118.68 114.38 3kx6 s LEU 226 Ca 0.30 -0.80 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3kx6 s LEU 226 Cb 0.07 0.01 -0.02 0.00 0.03 0.00 0.00 46.19 46.27 3kx6 s LEU 226 CO 0.06 -0.41 -0.11 -0.22 0.23 0.00 0.00 176.35 175.90 3kx6 s LEU 227 N -2.36 2.88 -0.55 1.79 2.96 -0.95 -0.61 118.68 121.85 3kx6 s LEU 227 Ca 0.00 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 3kx6 s LEU 227 Cb -0.01 -1.62 0.15 0.00 0.50 0.00 0.00 46.19 45.21 3kx6 s LEU 227 CO -0.04 0.29 0.35 -0.75 -1.32 0.00 0.00 176.35 174.88 3kx6 s LYS 228 N -0.41 1.80 0.32 1.98 2.20 0.00 -0.18 119.74 125.45 3kx6 s LYS 228 Ca 0.05 -2.63 0.05 0.00 -0.36 0.00 0.00 55.97 53.08 3kx6 s LYS 228 Cb -0.12 -2.82 -0.02 0.00 -1.51 0.00 0.00 37.83 33.37 3kx6 s LYS 228 CO 0.02 -1.22 0.47 -1.25 -0.36 0.00 0.00 175.35 173.01 3kx6 s PRO 229 N -0.46 3.24 0.58 4.03 0.04 -1.26 -3.86 135.00 137.31 3kx6 s PRO 229 Ca 0.22 -0.80 -0.19 0.00 0.04 0.00 0.00 61.00 60.27 3kx6 s PRO 229 Cb -0.14 -2.79 -0.04 0.00 0.04 0.00 0.00 34.50 31.56 3kx6 s PRO 229 CO -0.08 0.14 1.18 0.54 0.04 0.00 0.00 177.00 178.82 3kx6 s ASN 230 N -4.11 5.33 0.88 6.66 2.20 -1.26 -2.10 114.94 122.54 3kx6 s ASN 230 Ca 0.42 2.32 -0.11 0.00 -0.94 0.00 0.00 52.86 54.55 3kx6 s ASN 230 Cb -0.09 -2.59 0.12 0.00 -2.00 0.00 0.00 41.25 36.68 3kx6 s ASN 230 CO 0.32 -1.49 1.10 -0.04 -2.94 0.00 0.00 177.10 174.05 3kx6 s MET 231 N -3.33 1.37 -0.45 3.55 -1.94 -1.26 -4.95 119.30 112.29 3kx6 s MET 231 Ca 0.76 1.11 -0.22 0.00 -1.71 0.00 0.00 55.69 55.63 3kx6 s MET 231 Cb -0.28 -1.80 0.03 0.00 2.01 0.00 0.00 34.83 34.78 3kx6 s MET 231 CO 0.31 -2.25 0.71 0.08 -0.01 0.00 0.00 175.02 173.87 3kx6 s VAL 232 N -2.82 4.74 0.14 -6.03 1.01 -1.26 -5.01 120.40 111.16 3kx6 s VAL 232 Ca 0.64 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.86 3kx6 s VAL 232 Cb -0.19 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 3kx6 s VAL 232 CO 0.57 -0.67 -0.01 0.42 0.00 0.00 0.00 175.10 175.42 3kx6 s THR 233 N 3.05 0.53 0.84 3.92 -4.23 -1.26 -4.59 115.64 113.89 3kx6 s THR 233 Ca 0.26 -1.94 -0.11 0.00 -1.18 0.00 0.00 61.69 58.72 3kx6 s THR 233 Cb -0.13 -1.96 0.10 0.00 1.34 0.00 0.00 72.50 71.84 3kx6 s THR 233 CO 0.20 -0.61 1.10 0.00 -0.54 0.00 0.00 174.62 174.78 3kx6 s GLN 234 N -3.92 1.72 0.77 3.99 0.00 -1.26 -4.44 119.66 116.51 3kx6 s GLN 234 Ca 0.20 1.17 -0.14 0.00 -0.00 0.00 0.00 55.36 56.59 3kx6 s GLN 234 Cb 0.06 -1.84 0.06 0.00 0.00 0.00 0.00 33.01 31.30 3kx6 s GLN 234 CO 0.00 -2.02 1.20 0.20 0.00 0.00 0.00 175.29 174.67 3kx6 s GLY 235 N -3.23 2.22 0.38 2.60 0.00 -0.06 -4.89 107.32 104.34 3kx6 s GLY 235 Ca 0.63 0.83 0.09 0.00 0.00 0.00 0.00 44.72 46.26 3kx6 s GLY 235 CO 0.57 1.24 1.94 -2.08 0.00 0.00 0.00 173.10 174.76 3kx6 h VAL 236 N -0.61 0.94 -0.50 1.40 2.07 -0.65 -1.96 116.25 116.94 3kx6 h VAL 236 Ca -0.47 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3kx6 h VAL 236 Cb 1.29 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3kx6 h VAL 236 CO 0.48 0.12 0.00 0.47 0.02 0.00 0.00 177.57 178.66 3kx6 n ASP 237 N -4.49 3.60 -4.74 0.57 8.00 -0.03 -4.95 116.55 114.50 3kx6 n ASP 237 Ca 0.12 -1.99 -0.41 0.00 0.71 0.00 0.00 54.79 53.21 3kx6 n ASP 237 Cb 0.33 -0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 3kx6 n ASP 237 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kx6 n LYS 239 N 2.48 0.52 -3.45 0.00 5.02 -1.26 -4.66 118.16 116.80 3kx6 n LYS 239 Ca 0.07 -0.20 -0.41 0.00 -2.02 0.00 0.00 58.31 55.74 3kx6 n LYS 239 Cb 0.41 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.83 3kx6 n LYS 239 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kx6 s ASP 240 N -2.62 6.12 -0.36 4.39 1.01 -1.26 -5.07 116.67 118.89 3kx6 s ASP 240 Ca 0.24 -0.47 -0.23 0.00 0.71 0.00 0.00 52.55 52.81 3kx6 s ASP 240 Cb 0.19 -2.17 0.01 0.00 1.01 0.00 0.00 42.92 41.96 3kx6 s ASP 240 CO 0.52 -0.35 0.75 -1.59 0.21 0.00 0.00 175.17 174.72 3kx6 s LYS 241 N 1.86 3.76 0.62 8.23 -2.85 -1.26 -4.92 119.74 125.18 3kx6 s LYS 241 Ca 0.09 0.29 -0.11 0.00 -1.00 0.00 0.00 55.97 55.23 3kx6 s LYS 241 Cb -0.17 -3.80 -0.03 0.00 -2.06 0.00 0.00 37.83 31.77 3kx6 s LYS 241 CO 0.11 -0.80 1.02 -1.25 0.10 0.00 0.00 175.35 174.53 3kx6 s PRO 242 N 3.00 3.47 0.54 1.78 0.04 -1.26 -5.03 135.00 137.53 3kx6 s PRO 242 Ca 0.30 0.65 -0.21 0.00 0.04 0.00 0.00 61.00 61.78 3kx6 s PRO 242 Cb -0.14 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 3kx6 s PRO 242 CO 0.16 -0.62 1.29 0.00 0.04 0.00 0.00 177.00 177.87 3kx6 s ALA 243 N -3.17 2.79 0.47 8.56 0.00 -1.26 -4.88 121.76 124.27 3kx6 s ALA 243 Ca 0.55 1.18 0.21 0.00 0.00 0.00 0.00 51.96 53.90 3kx6 s ALA 243 Cb -0.11 -3.50 1.21 0.00 0.00 0.00 0.00 23.12 20.72 3kx6 s ALA 243 CO 0.53 -1.18 1.93 -1.35 0.00 0.00 0.00 175.76 175.68 3kx6 h PRO 244 N 1.46 0.23 -0.50 0.00 0.11 -1.99 0.39 132.00 131.71 3kx6 h PRO 244 Ca -0.50 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 3kx6 h PRO 244 Cb 1.29 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3kx6 h PRO 244 CO 0.57 0.15 0.22 1.96 -0.21 0.00 0.00 178.00 180.70 3kx6 h GLN 245 N 0.24 0.71 -0.23 1.05 7.50 -1.95 -0.58 115.11 121.85 3kx6 h GLN 245 Ca 0.36 -0.09 -0.14 0.00 0.50 0.00 0.00 58.65 59.28 3kx6 h GLN 245 Cb 1.07 -0.13 0.00 0.00 0.05 0.00 0.00 27.48 28.47 3kx6 h GLN 245 CO -0.08 0.57 -0.41 1.15 -1.50 0.00 0.00 178.83 178.56 3kx6 h THR 246 N 0.71 1.31 -0.81 -0.54 2.02 -1.29 0.24 112.91 114.55 3kx6 h THR 246 Ca 0.17 -1.62 0.03 0.00 0.77 0.00 0.00 66.41 65.76 3kx6 h THR 246 Cb 0.11 1.77 -0.05 0.00 -1.74 0.00 0.00 68.15 68.25 3kx6 h THR 246 CO -0.02 0.51 0.52 0.58 0.37 0.00 0.00 175.52 177.48 3kx6 h VAL 247 N 0.40 1.14 0.29 3.16 2.07 -1.17 -0.44 116.25 121.70 3kx6 h VAL 247 Ca 0.01 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3kx6 h VAL 247 Cb 1.01 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3kx6 h VAL 247 CO 0.09 0.19 -0.26 1.23 0.02 0.00 0.00 177.57 178.84 3kx6 h GLY 248 N 1.03 -0.60 0.84 2.17 0.00 -0.72 -1.62 103.07 104.17 3kx6 h GLY 248 Ca 0.32 0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.93 3kx6 h GLY 248 CO -0.10 -0.24 0.04 -2.75 0.00 0.00 0.00 176.54 173.48 3kx6 h PHE 249 N -0.57 0.29 -0.02 5.60 3.57 -0.73 -2.10 116.94 122.98 3kx6 h PHE 249 Ca -0.01 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.35 3kx6 h PHE 249 Cb 0.52 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 3kx6 h PHE 249 CO -0.16 0.42 -0.47 -0.07 -2.23 0.00 0.00 178.31 175.80 3kx6 h LEU 250 N 0.08 0.06 0.03 0.59 3.38 -1.04 -0.54 115.31 117.88 3kx6 h LEU 250 Ca 0.05 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3kx6 h LEU 250 Cb 0.28 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3kx6 h LEU 250 CO 0.00 0.52 -0.02 0.74 0.09 0.00 0.00 178.44 179.78 3kx6 h THR 251 N 0.05 1.27 -0.38 0.22 2.02 -1.22 -0.01 112.91 114.86 3kx6 h THR 251 Ca -0.00 -0.97 0.08 0.00 0.77 0.00 0.00 66.41 66.29 3kx6 h THR 251 Cb 0.85 1.91 -0.07 0.00 -1.74 0.00 0.00 68.15 69.09 3kx6 h THR 251 CO 0.06 0.25 -0.10 -1.28 0.37 0.00 0.00 175.52 174.82 3kx6 h SER 252 N -0.47 -0.36 -0.63 4.18 0.87 -1.24 -2.37 113.55 113.52 3kx6 h SER 252 Ca -0.00 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3kx6 h SER 252 Cb 0.44 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 3kx6 h SER 252 CO 0.01 -0.13 0.30 -0.09 -0.53 0.00 0.00 176.83 176.39 3kx6 h ARG 253 N -0.01 0.92 -0.75 2.24 2.43 -0.91 0.15 114.38 118.45 3kx6 h ARG 253 Ca 0.18 -0.14 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3kx6 h ARG 253 Cb 0.28 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 3kx6 h ARG 253 CO -0.39 0.73 0.45 0.00 -1.51 0.00 0.00 179.97 179.26 3kx6 h ALA 254 N 1.13 1.00 -0.18 2.80 0.00 -0.77 -0.40 119.26 122.84 3kx6 h ALA 254 Ca 0.22 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3kx6 h ALA 254 Cb 0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3kx6 h ALA 254 CO -0.03 0.20 -0.28 -0.07 0.00 0.00 0.00 179.25 179.08 3kx6 h LEU 255 N 0.86 0.56 -1.72 0.00 3.38 -0.92 -3.08 115.31 114.39 3kx6 h LEU 255 Ca 0.32 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3kx6 h LEU 255 Cb 0.10 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3kx6 h LEU 255 CO -0.15 0.97 -0.16 0.03 0.09 0.00 0.00 178.44 179.23 3kx6 h ARG 256 N 0.16 0.00 0.00 1.13 3.08 -0.47 0.11 114.38 118.39 3kx6 h ARG 256 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3kx6 h ARG 256 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3kx6 h ARG 256 CO 0.06 0.16 0.00 0.54 -1.07 0.00 0.00 179.97 179.66 3kx6 n ARG 257 N -4.25 0.18 0.00 0.04 1.74 -0.18 -4.47 116.66 109.71 3kx6 n ARG 257 Ca -0.02 0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 3kx6 n ARG 257 Cb 0.23 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 3kx6 n ARG 257 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3kx6 n THR 258 N -2.06 0.00 -3.55 0.55 -2.24 -0.79 -5.04 114.28 101.16 3kx6 n THR 258 Ca 0.05 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.42 3kx6 n THR 258 Cb 0.34 -0.06 -0.11 0.00 -2.10 0.00 0.00 70.33 68.41 3kx6 n THR 258 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kx6 s VAL 259 N -0.82 4.95 0.65 2.28 1.01 0.31 -4.82 120.40 123.96 3kx6 s VAL 259 Ca 0.00 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 3kx6 s VAL 259 Cb 0.00 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 3kx6 s VAL 259 CO 0.00 -0.16 1.27 -2.84 0.00 0.00 0.00 175.10 173.37 3kx6 s PRO 260 N 1.64 2.53 0.43 2.72 0.02 -1.26 -4.84 135.00 136.24 3kx6 s PRO 260 Ca 0.04 1.99 0.30 0.00 0.02 0.00 0.00 61.00 63.36 3kx6 s PRO 260 Cb -0.18 -1.85 1.34 0.00 0.02 0.00 0.00 34.50 33.82 3kx6 s PRO 260 CO 0.08 -1.59 1.89 -1.00 -0.33 0.00 0.00 177.00 176.05 3kx6 h PRO 261 N 0.46 0.00 0.00 5.54 0.13 -1.97 -2.74 132.00 133.42 3kx6 h PRO 261 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 3kx6 h PRO 261 Cb 1.33 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 3kx6 h PRO 261 CO 0.53 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 178.22 3kx6 h ALA 262 N 2.10 1.13 -2.52 -0.56 0.00 -1.91 -3.42 119.26 114.09 3kx6 h ALA 262 Ca 0.00 -0.07 -0.53 0.00 0.00 0.00 0.00 54.91 54.31 3kx6 h ALA 262 Cb 0.33 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.13 3kx6 h ALA 262 CO 0.00 0.10 0.81 -1.17 0.00 0.00 0.00 179.25 178.99 3kx6 s LEU 263 N -6.74 4.36 0.38 0.00 2.96 -1.04 -3.68 118.68 114.92 3kx6 s LEU 263 Ca -0.02 2.39 0.20 0.00 -0.22 0.00 0.00 54.13 56.48 3kx6 s LEU 263 Cb 0.12 -3.58 0.29 0.00 0.50 0.00 0.00 46.19 43.51 3kx6 s LEU 263 CO 0.55 -0.74 1.57 1.55 -1.32 0.00 0.00 176.35 177.96 3kx6 h PRO 264 N 7.16 0.00 -2.04 0.98 0.13 -1.74 -3.42 132.00 133.07 3kx6 h PRO 264 Ca -0.42 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.66 3kx6 h PRO 264 Cb 1.20 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.13 3kx6 h PRO 264 CO 0.89 0.21 0.13 0.20 -0.23 0.00 0.00 178.00 179.20 3kx6 s GLY 265 N -4.31 -0.54 -0.23 1.56 0.00 -1.26 -1.42 107.32 101.12 3kx6 s GLY 265 Ca 0.05 1.71 0.02 0.00 0.00 0.00 0.00 44.72 46.51 3kx6 s GLY 265 CO 0.69 1.41 -0.14 0.14 0.00 0.00 0.00 173.10 175.20 3kx6 s VAL 266 N -0.23 2.14 -0.39 1.40 1.01 0.21 -2.24 120.40 122.30 3kx6 s VAL 266 Ca -0.04 -1.37 -0.01 0.00 0.00 0.00 0.00 61.98 60.56 3kx6 s VAL 266 Cb -0.03 -2.12 0.10 0.00 0.00 0.00 0.00 36.38 34.33 3kx6 s VAL 266 CO 0.04 0.19 0.16 -0.04 0.00 0.00 0.00 175.10 175.45 3kx6 s MET 267 N 1.18 1.93 0.44 2.72 -1.94 0.74 -0.81 119.30 123.56 3kx6 s MET 267 Ca -0.04 -1.79 -0.24 0.00 -1.71 0.00 0.00 55.69 51.91 3kx6 s MET 267 Cb -0.17 -3.48 -0.08 0.00 2.01 0.00 0.00 34.83 33.12 3kx6 s MET 267 CO -0.08 -1.01 1.25 -0.06 -0.01 0.00 0.00 175.02 175.11 3kx6 s PHE 268 N 1.10 2.79 0.40 -0.03 0.08 -0.08 -4.05 117.98 118.20 3kx6 s PHE 268 Ca 0.08 1.47 -0.12 0.00 0.12 0.00 0.00 56.93 58.47 3kx6 s PHE 268 Cb -0.22 -3.56 -0.07 0.00 -0.57 0.00 0.00 43.02 38.60 3kx6 s PHE 268 CO -0.05 -1.91 0.78 -0.48 -0.10 0.00 0.00 175.22 173.46 3kx6 s LEU 269 N -2.79 3.87 -0.00 -0.37 0.05 -0.89 -1.03 118.68 117.51 3kx6 s LEU 269 Ca 0.61 1.20 0.12 0.00 0.05 0.00 0.00 54.13 56.12 3kx6 s LEU 269 Cb -0.34 -4.07 -0.14 0.00 -2.05 0.00 0.00 46.19 39.58 3kx6 s LEU 269 CO 0.43 -0.37 0.49 -1.54 -0.55 0.00 0.00 176.35 174.81 3kx6 n SER 270 N -1.11 0.77 0.00 1.48 3.41 -1.26 -4.21 113.62 112.69 3kx6 n SER 270 Ca 0.03 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.95 3kx6 n SER 270 Cb 0.54 1.07 0.00 0.00 -0.26 0.00 0.00 64.21 65.56 3kx6 n SER 270 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kx6 n GLY 271 N 1.35 3.60 0.34 5.00 0.00 -1.26 -1.65 105.19 112.58 3kx6 n GLY 271 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.15 3kx6 n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kx6 n GLY 272 N 0.00 -0.21 3.76 -0.02 0.00 -1.26 -4.91 105.19 102.55 3kx6 n GLY 272 Ca 0.00 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 3kx6 n GLY 272 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kx6 s GLN 273 N -1.88 3.62 0.91 1.61 -0.21 -0.66 -5.00 119.66 118.05 3kx6 s GLN 273 Ca 0.32 1.95 -0.11 0.00 0.02 0.00 0.00 55.36 57.54 3kx6 s GLN 273 Cb 0.16 -2.42 0.14 0.00 1.00 0.00 0.00 33.01 31.89 3kx6 s GLN 273 CO 0.25 -0.72 1.10 -1.54 -2.12 0.00 0.00 175.29 172.26 3kx6 s SER 274 N -1.16 3.19 0.19 5.90 1.04 -1.26 -4.74 113.70 116.86 3kx6 s SER 274 Ca 0.65 1.76 -0.12 0.00 0.48 0.00 0.00 55.95 58.72 3kx6 s SER 274 Cb -0.33 -2.38 0.21 0.00 0.10 0.00 0.00 66.02 63.62 3kx6 s SER 274 CO 0.40 -2.86 1.73 -0.33 0.98 0.00 0.00 173.24 173.16 3kx6 h GLU 275 N -1.70 0.28 -0.14 4.02 5.08 -1.90 -0.89 114.58 119.34 3kx6 h GLU 275 Ca -0.48 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 3kx6 h GLU 275 Cb 1.27 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3kx6 h GLU 275 CO 0.50 0.19 0.01 0.77 -1.00 0.00 0.00 179.01 179.47 3kx6 h SER 276 N 0.29 0.23 -0.18 1.42 0.02 -1.92 -2.96 113.55 110.45 3kx6 h SER 276 Ca 0.26 -0.29 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 3kx6 h SER 276 Cb 0.33 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3kx6 h SER 276 CO -0.31 0.47 -0.07 0.24 -1.14 0.00 0.00 176.83 176.02 3kx6 h MET 277 N -0.01 0.51 -0.84 3.45 2.86 -1.87 -0.27 114.93 118.77 3kx6 h MET 277 Ca 0.04 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3kx6 h MET 277 Cb 0.34 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 3kx6 h MET 277 CO 0.01 0.59 0.43 0.00 1.06 0.00 0.00 176.91 179.00 3kx6 h ALA 278 N 1.45 1.08 -0.06 6.32 0.00 -1.14 -0.16 119.26 126.75 3kx6 h ALA 278 Ca 0.10 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3kx6 h ALA 278 Cb 0.42 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kx6 h ALA 278 CO 0.02 0.62 -0.16 1.15 0.00 0.00 0.00 179.25 180.88 3kx6 h THR 279 N 1.18 1.43 -0.37 0.00 2.02 -1.30 -2.67 112.91 113.21 3kx6 h THR 279 Ca 0.29 -1.53 0.00 0.00 0.77 0.00 0.00 66.41 65.95 3kx6 h THR 279 Cb 0.08 2.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.75 3kx6 h THR 279 CO -0.04 0.43 0.24 -0.09 0.37 0.00 0.00 175.52 176.42 3kx6 h ARG 280 N -0.29 0.49 -0.38 6.66 2.43 -0.94 -1.52 114.38 120.82 3kx6 h ARG 280 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3kx6 h ARG 280 Cb 0.77 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 3kx6 h ARG 280 CO 0.03 0.34 0.24 0.45 -1.51 0.00 0.00 179.97 179.52 3kx6 h HIS 281 N 0.49 0.49 -0.57 2.20 3.86 -1.12 -1.53 115.15 118.97 3kx6 h HIS 281 Ca 0.13 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.44 3kx6 h HIS 281 Cb -0.04 -0.16 -0.07 0.00 1.06 0.00 0.00 27.41 28.20 3kx6 h HIS 281 CO -0.05 0.34 0.19 1.25 0.86 0.00 0.00 177.93 180.52 3kx6 h LEU 282 N 0.51 0.17 -0.56 2.43 5.85 -1.22 -0.49 115.31 122.00 3kx6 h LEU 282 Ca 0.14 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.96 3kx6 h LEU 282 Cb -0.02 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3kx6 h LEU 282 CO -0.03 0.11 0.35 -1.13 -0.34 0.00 0.00 178.44 177.40 3kx6 h ASN 283 N 0.37 0.57 0.03 1.25 -1.24 -0.84 -2.15 115.58 113.57 3kx6 h ASN 283 Ca 0.29 -0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.22 3kx6 h ASN 283 Cb 0.35 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 3kx6 h ASN 283 CO -0.30 0.40 -0.22 -0.33 -1.29 0.00 0.00 177.43 175.69 3kx6 h GLU 284 N 0.69 0.33 -0.07 6.67 4.39 -0.73 -0.44 114.58 125.43 3kx6 h GLU 284 Ca 0.22 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 3kx6 h GLU 284 Cb -0.01 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 3kx6 h GLU 284 CO -0.08 0.54 0.01 0.82 -1.16 0.00 0.00 179.01 179.13 3kx6 h ILE 285 N 0.30 1.23 -0.28 3.13 2.04 -0.68 -2.75 117.51 120.51 3kx6 h ILE 285 Ca 0.05 -0.69 -0.07 0.00 1.00 0.00 0.00 64.86 65.15 3kx6 h ILE 285 Cb 0.56 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 3kx6 h ILE 285 CO 0.04 0.19 -0.13 0.78 0.00 0.00 0.00 178.15 179.03 3kx6 h ASN 286 N -0.15 0.46 0.48 1.72 2.35 -1.24 -3.22 115.58 115.98 3kx6 h ASN 286 Ca 0.02 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.54 3kx6 h ASN 286 Cb 0.30 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3kx6 h ASN 286 CO 0.00 0.62 -0.52 0.11 -1.65 0.00 0.00 177.43 175.99 3kx6 h LYS 287 N 0.44 0.05 0.00 0.81 1.57 -0.95 -3.31 116.57 115.19 3kx6 h LYS 287 Ca 0.08 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3kx6 h LYS 287 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3kx6 h LYS 287 CO 0.03 0.56 0.00 0.00 -0.57 0.00 0.00 179.45 179.47 3kx6 s ASN 289 N -2.97 -0.24 0.12 0.00 3.84 -1.25 -5.07 114.94 109.37 3kx6 s ASN 289 Ca 0.13 -0.34 -0.22 0.00 0.21 0.00 0.00 52.86 52.64 3kx6 s ASN 289 Cb 0.17 0.51 -0.07 0.00 -0.55 0.00 0.00 41.25 41.30 3kx6 s ASN 289 CO 0.46 -0.91 0.67 -1.59 -2.79 0.00 0.00 177.10 172.93 3kx6 s LYS 290 N -3.36 4.38 0.03 0.43 -2.85 -1.26 -4.89 119.74 112.21 3kx6 s LYS 290 Ca 0.10 0.94 0.02 0.00 -1.00 0.00 0.00 55.97 56.03 3kx6 s LYS 290 Cb -0.02 -3.25 -0.02 0.00 -2.06 0.00 0.00 37.83 32.49 3kx6 s LYS 290 CO 0.00 0.61 -0.07 -1.01 0.10 0.00 0.00 175.35 174.97 3kx6 s HIS 291 N -1.13 0.63 -2.45 1.78 3.76 -1.26 -5.06 115.29 111.56 3kx6 s HIS 291 Ca 0.32 -0.39 0.25 0.00 -0.15 0.00 0.00 55.06 55.09 3kx6 s HIS 291 Cb -0.21 -0.38 0.82 0.00 1.11 0.00 0.00 32.58 33.92 3kx6 s HIS 291 CO 0.23 -0.06 1.61 -0.35 -0.85 0.00 0.00 174.74 175.31 3kx6 n PRO 292 N 1.85 1.80 -4.31 8.40 -0.04 -1.26 -4.83 135.00 136.61 3kx6 n PRO 292 Ca -0.20 -1.18 -0.20 0.00 -0.04 0.00 0.00 63.50 61.88 3kx6 n PRO 292 Cb 0.56 -1.45 -0.11 0.00 -0.04 0.00 0.00 33.50 32.46 3kx6 n PRO 292 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3kx6 s TRP 293 N -1.89 1.67 0.40 0.54 0.51 -1.26 -4.91 118.94 114.00 3kx6 s TRP 293 Ca 0.35 -0.52 -0.27 0.00 -2.12 0.00 0.00 56.10 53.54 3kx6 s TRP 293 Cb 0.20 -0.83 -0.10 0.00 -0.81 0.00 0.00 33.47 31.92 3kx6 s TRP 293 CO 0.30 0.28 1.48 0.43 -0.51 0.00 0.00 176.95 178.93 3kx6 n SER 294 N 0.21 3.70 -4.14 2.95 7.64 -0.51 -4.86 113.62 118.62 3kx6 n SER 294 Ca -0.13 1.20 -0.35 0.00 1.01 0.00 0.00 58.87 60.61 3kx6 n SER 294 Cb 0.58 -1.62 -0.14 0.00 -1.01 0.00 0.00 64.21 62.02 3kx6 n SER 294 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3kx6 s LEU 295 N -2.27 4.20 0.00 -3.43 1.43 -1.26 -0.62 118.68 116.73 3kx6 s LEU 295 Ca 0.55 -1.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.14 3kx6 s LEU 295 Cb -0.46 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.04 3kx6 s LEU 295 CO 0.62 -0.32 0.00 -0.24 0.23 0.00 0.00 176.35 176.64 3kx6 n SER 296 N 4.56 0.00 -4.26 2.29 2.88 0.01 -4.54 113.62 114.56 3kx6 n SER 296 Ca -0.09 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.21 3kx6 n SER 296 Cb 0.43 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.76 3kx6 n SER 296 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3kx6 s PHE 297 N -1.10 1.72 -0.44 0.66 -0.12 -1.26 -0.90 117.98 116.54 3kx6 s PHE 297 Ca 0.00 -0.41 0.03 0.00 -0.05 0.00 0.00 56.93 56.50 3kx6 s PHE 297 Cb 0.00 -0.96 0.16 0.00 -0.63 0.00 0.00 43.02 41.58 3kx6 s PHE 297 CO 0.00 0.17 0.31 0.45 -0.05 0.00 0.00 175.22 176.10 3kx6 s SER 298 N -1.73 2.59 -0.08 1.98 0.15 -0.19 -0.07 113.70 116.35 3kx6 s SER 298 Ca 0.06 -2.89 -0.00 0.00 0.70 0.00 0.00 55.95 53.82 3kx6 s SER 298 Cb -0.10 -0.68 -0.03 0.00 -1.71 0.00 0.00 66.02 63.50 3kx6 s SER 298 CO 0.04 -0.21 -0.05 -0.31 1.20 0.00 0.00 173.24 173.91 3kx6 s TYR 299 N 0.15 3.00 0.00 3.44 2.02 -0.89 -4.35 117.35 120.72 3kx6 s TYR 299 Ca 0.26 0.06 0.00 0.00 -0.37 0.00 0.00 57.07 57.02 3kx6 s TYR 299 Cb -0.08 -1.74 0.00 0.00 -0.40 0.00 0.00 41.96 39.74 3kx6 s TYR 299 CO -0.11 0.36 0.00 0.41 -1.57 0.00 0.00 175.55 174.64 3kx6 n GLY 300 N 2.23 -0.09 0.36 0.71 0.00 -1.26 -0.89 105.19 106.25 3kx6 n GLY 300 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.89 3kx6 n GLY 300 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kx6 h ARG 301 N 0.00 0.98 0.00 1.61 3.08 -1.92 -1.08 114.38 117.05 3kx6 h ARG 301 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3kx6 h ARG 301 Cb 0.00 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.83 3kx6 h ARG 301 CO 0.00 0.65 0.00 0.00 -1.07 0.00 0.00 179.97 179.55 3kx6 h ALA 302 N 1.51 1.00 -0.00 0.04 0.00 -1.87 -0.54 119.26 119.39 3kx6 h ALA 302 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3kx6 h ALA 302 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kx6 h ALA 302 CO -0.24 0.00 -0.67 1.28 0.00 0.00 0.00 179.25 179.62 3kx6 n LEU 303 N -2.35 0.79 0.00 0.00 4.77 -0.50 -4.69 117.00 115.02 3kx6 n LEU 303 Ca 0.01 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 3kx6 n LEU 303 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3kx6 n LEU 303 CO 0.18 0.19 -0.38 0.00 -1.33 0.00 0.00 177.39 176.06 3kx6 n GLN 304 N -1.23 1.83 0.04 3.23 6.02 -0.68 -4.69 117.38 121.91 3kx6 n GLN 304 Ca 0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.91 3kx6 n GLN 304 Cb 0.24 -0.88 -0.04 0.00 1.02 0.00 0.00 30.24 30.58 3kx6 n GLN 304 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3kx6 h SER 305 N 0.00 -0.59 0.28 1.08 0.02 -1.37 -0.01 113.55 112.97 3kx6 h SER 305 Ca 0.00 0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 3kx6 h SER 305 Cb 0.17 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3kx6 h SER 305 CO 0.00 -0.26 -0.26 0.28 -1.14 0.00 0.00 176.83 175.45 3kx6 h SER 306 N -0.30 0.00 -0.12 3.07 0.02 -1.89 -2.05 113.55 112.29 3kx6 h SER 306 Ca 0.07 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3kx6 h SER 306 Cb 0.39 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 3kx6 h SER 306 CO -0.20 0.26 0.01 0.58 -1.14 0.00 0.00 176.83 176.34 3kx6 h VAL 307 N 0.00 1.23 -0.25 2.27 2.07 -1.59 -1.58 116.25 118.40 3kx6 h VAL 307 Ca -0.00 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.81 3kx6 h VAL 307 Cb 0.47 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 3kx6 h VAL 307 CO 0.03 0.21 0.15 -0.07 0.02 0.00 0.00 177.57 177.91 3kx6 h LEU 308 N -0.04 0.24 -0.96 2.57 3.38 -0.87 0.03 115.31 119.66 3kx6 h LEU 308 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3kx6 h LEU 308 Cb 0.31 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3kx6 h LEU 308 CO 0.00 0.18 0.48 0.11 0.09 0.00 0.00 178.44 179.30 3kx6 h LYS 309 N 0.31 1.21 -0.14 1.13 1.57 -1.31 -0.89 116.57 118.44 3kx6 h LYS 309 Ca 0.10 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3kx6 h LYS 309 Cb -0.01 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.06 3kx6 h LYS 309 CO -0.04 0.88 -0.08 1.15 -0.57 0.00 0.00 179.45 180.79 3kx6 h THR 310 N 1.21 1.32 0.09 -0.16 2.02 -1.00 -3.25 112.91 113.14 3kx6 h THR 310 Ca 0.31 -1.15 0.01 0.00 0.77 0.00 0.00 66.41 66.35 3kx6 h THR 310 Cb 0.02 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 3kx6 h THR 310 CO -0.05 0.33 -0.17 -0.25 0.37 0.00 0.00 175.52 175.75 3kx6 h TRP 311 N -0.05 -0.45 -1.84 3.16 7.01 -0.76 -3.46 115.95 119.56 3kx6 h TRP 311 Ca 0.03 0.01 -0.40 0.00 2.11 0.00 0.00 58.89 60.64 3kx6 h TRP 311 Cb 0.56 0.19 -0.09 0.00 -2.10 0.00 0.00 29.16 27.72 3kx6 h TRP 311 CO 0.07 -0.25 -0.43 -1.71 -2.79 0.00 0.00 178.44 173.32 3kx6 n ASN 312 N -5.30 -5.49 -0.34 2.65 5.15 -0.36 -1.79 115.26 109.77 3kx6 n ASN 312 Ca -0.06 0.24 -0.04 0.00 -0.60 0.00 0.00 54.58 54.11 3kx6 n ASN 312 Cb 0.22 -4.63 -0.02 0.00 -0.53 0.00 0.00 39.78 34.82 3kx6 n ASN 312 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kx6 n GLY 313 N -0.78 0.72 3.04 8.20 0.00 -1.26 -4.94 105.19 110.16 3kx6 n GLY 313 Ca -0.21 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 3kx6 n GLY 313 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kx6 s SER 314 N -2.75 1.90 0.66 1.61 0.15 -0.74 -5.00 113.70 109.52 3kx6 s SER 314 Ca 0.00 -0.32 0.41 0.00 0.70 0.00 0.00 55.95 56.74 3kx6 s SER 314 Cb 0.00 -0.88 2.26 0.00 -1.71 0.00 0.00 66.02 65.69 3kx6 s SER 314 CO 0.00 0.05 2.30 0.24 1.20 0.00 0.00 173.24 177.03 3kx6 h MET 315 N 6.94 0.00 0.00 5.44 2.86 -1.97 -1.03 114.93 127.17 3kx6 h MET 315 Ca -0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 3kx6 h MET 315 Cb 1.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.85 3kx6 h MET 315 CO 0.47 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 177.31 3kx6 n SER 316 N -3.15 0.08 -1.11 1.22 3.41 -1.26 -2.25 113.62 110.55 3kx6 n SER 316 Ca -0.03 0.52 0.09 0.00 -0.26 0.00 0.00 58.87 59.19 3kx6 n SER 316 Cb 0.12 -0.53 0.26 0.00 -0.26 0.00 0.00 64.21 63.80 3kx6 n SER 316 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kx6 n ASN 317 N -1.58 3.73 -0.06 4.04 3.02 -0.39 -4.72 115.26 119.29 3kx6 n ASN 317 Ca 0.04 -2.14 -0.11 0.00 -0.03 0.00 0.00 54.58 52.34 3kx6 n ASN 317 Cb 0.22 -0.42 -0.05 0.00 -0.61 0.00 0.00 39.78 38.93 3kx6 n ASN 317 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kx6 h ALA 318 N 3.29 0.27 -0.57 5.41 0.00 -1.56 -0.41 119.26 125.69 3kx6 h ALA 318 Ca 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3kx6 h ALA 318 Cb 1.01 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3kx6 h ALA 318 CO 0.05 -0.04 0.35 0.00 0.00 0.00 0.00 179.25 179.61 3kx6 h ALA 319 N 0.81 0.73 -0.63 0.00 0.00 -1.84 -0.32 119.26 118.01 3kx6 h ALA 319 Ca 0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3kx6 h ALA 319 Cb 0.35 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3kx6 h ALA 319 CO 0.01 0.21 0.29 0.00 0.00 0.00 0.00 179.25 179.75 3kx6 h ALA 320 N 1.17 1.31 -0.36 0.00 0.00 -1.84 -1.68 119.26 117.86 3kx6 h ALA 320 Ca 0.21 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3kx6 h ALA 320 Cb -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3kx6 h ALA 320 CO -0.04 0.53 0.02 0.00 0.00 0.00 0.00 179.25 179.76 3kx6 h ALA 321 N 1.42 0.48 -0.86 0.00 0.00 -0.41 -2.57 119.26 117.31 3kx6 h ALA 321 Ca 0.22 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3kx6 h ALA 321 Cb 0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3kx6 h ALA 321 CO -0.03 0.23 0.42 1.96 0.00 0.00 0.00 179.25 181.83 3kx6 h GLN 322 N 0.45 1.23 -0.50 0.00 4.20 -0.77 -1.13 115.11 118.58 3kx6 h GLN 322 Ca 0.11 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 3kx6 h GLN 322 Cb 0.42 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3kx6 h GLN 322 CO 0.01 0.94 0.18 -0.44 -0.67 0.00 0.00 178.83 178.85 3kx6 h ASP 323 N 1.22 0.67 -0.36 1.46 3.32 -1.19 -0.86 116.42 120.68 3kx6 h ASP 323 Ca 0.30 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 3kx6 h ASP 323 Cb 0.10 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3kx6 h ASP 323 CO -0.04 0.62 0.09 0.58 -1.72 0.00 0.00 179.24 178.77 3kx6 h VAL 324 N 0.72 1.22 -0.54 -1.35 2.07 -0.89 -2.00 116.25 115.48 3kx6 h VAL 324 Ca 0.17 -0.75 0.08 0.00 0.82 0.00 0.00 66.70 67.02 3kx6 h VAL 324 Cb 0.18 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 3kx6 h VAL 324 CO -0.01 0.25 0.19 0.25 0.02 0.00 0.00 177.57 178.28 3kx6 h LEU 325 N 0.43 0.19 -0.84 2.57 5.85 -0.83 -2.18 115.31 120.51 3kx6 h LEU 325 Ca 0.11 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 3kx6 h LEU 325 Cb 0.29 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3kx6 h LEU 325 CO 0.00 0.13 0.09 0.24 -0.34 0.00 0.00 178.44 178.56 3kx6 h MET 326 N 0.37 0.95 -0.14 1.25 2.86 -1.01 0.20 114.93 119.42 3kx6 h MET 326 Ca 0.26 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3kx6 h MET 326 Cb 0.30 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3kx6 h MET 326 CO -0.27 0.89 0.08 -0.22 1.06 0.00 0.00 176.91 178.45 3kx6 h LYS 327 N 0.90 0.19 -0.43 1.72 3.64 -1.01 0.26 116.57 121.83 3kx6 h LYS 327 Ca 0.18 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.41 3kx6 h LYS 327 Cb 0.41 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3kx6 h LYS 327 CO 0.01 0.19 -0.27 -0.07 -2.27 0.00 0.00 179.45 177.04 3kx6 h LEU 328 N 0.13 0.95 -0.66 5.20 3.38 -1.16 -1.89 115.31 121.26 3kx6 h LEU 328 Ca 0.05 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 3kx6 h LEU 328 Cb 0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3kx6 h LEU 328 CO -0.01 1.16 0.26 0.00 0.09 0.00 0.00 178.44 179.94 3kx6 h ALA 329 N 0.90 0.85 0.03 1.53 0.00 -0.55 -2.16 119.26 119.87 3kx6 h ALA 329 Ca 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kx6 h ALA 329 Cb 0.84 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3kx6 h ALA 329 CO 0.07 0.47 -0.01 0.37 0.00 0.00 0.00 179.25 180.15 3kx6 h GLN 330 N 0.93 -0.03 -0.76 0.00 4.15 -0.77 -0.79 115.11 117.85 3kx6 h GLN 330 Ca 0.22 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.59 3kx6 h GLN 330 Cb 0.21 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 3kx6 h GLN 330 CO -0.02 0.03 0.27 -0.56 -1.93 0.00 0.00 178.83 176.62 3kx6 h GLN 331 N -0.09 1.15 -0.35 1.69 3.07 -1.27 -1.03 115.11 118.29 3kx6 h GLN 331 Ca -0.00 -0.23 -0.10 0.00 0.09 0.00 0.00 58.65 58.41 3kx6 h GLN 331 Cb 0.08 -0.18 -0.02 0.00 0.08 0.00 0.00 27.48 27.45 3kx6 h GLN 331 CO 0.01 0.96 -0.20 -0.91 0.09 0.00 0.00 178.83 178.77 3kx6 h ASN 332 N 1.11 0.67 -0.15 0.06 2.35 -1.33 -0.21 115.58 118.07 3kx6 h ASN 332 Ca 0.25 -0.22 0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3kx6 h ASN 332 Cb 0.26 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 3kx6 h ASN 332 CO -0.01 0.87 -0.08 -1.28 -1.65 0.00 0.00 177.43 175.28 3kx6 h SER 333 N 0.59 -0.25 -0.76 5.81 0.87 -0.71 -0.07 113.55 119.03 3kx6 h SER 333 Ca 0.09 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 3kx6 h SER 333 Cb 0.67 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.74 3kx6 h SER 333 CO 0.05 -0.10 0.34 -0.33 -0.53 0.00 0.00 176.83 176.25 3kx6 h GLU 334 N -0.06 1.11 -0.48 2.24 5.08 -0.95 -2.51 114.58 119.00 3kx6 h GLU 334 Ca 0.09 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3kx6 h GLU 334 Cb 0.19 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3kx6 h GLU 334 CO -0.19 0.88 0.32 0.00 -1.00 0.00 0.00 179.01 179.02 3kx6 h ALA 335 N 1.17 1.73 0.00 3.43 0.00 -0.64 0.20 119.26 125.14 3kx6 h ALA 335 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3kx6 h ALA 335 Cb 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kx6 h ALA 335 CO -0.03 0.23 0.00 -1.13 0.00 0.00 0.00 179.25 178.32 3kx6 n SER 336 N -4.47 0.42 -0.83 0.00 3.41 -0.07 -1.20 113.62 110.89 3kx6 n SER 336 Ca 0.05 0.59 0.07 0.00 -0.26 0.00 0.00 58.87 59.32 3kx6 n SER 336 Cb 0.11 -0.69 0.19 0.00 -0.26 0.00 0.00 64.21 63.56 3kx6 n SER 336 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kx6 n LEU 337 N -1.95 3.14 -2.37 1.04 4.77 -0.79 -4.62 117.00 116.22 3kx6 n LEU 337 Ca 0.03 -1.90 -0.19 0.00 -0.03 0.00 0.00 56.01 53.92 3kx6 n LEU 337 Cb 0.24 -0.28 0.01 0.00 -2.33 0.00 0.00 43.42 41.06 3kx6 n LEU 337 CO 0.20 0.77 -0.13 0.61 -1.33 0.00 0.00 177.39 177.50 3kx6 n GLY 338 N 0.85 -0.39 0.97 -0.72 0.00 -0.34 -4.90 105.19 100.65 3kx6 n GLY 338 Ca 0.15 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.17 3kx6 n GLY 338 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kx6 n SER 339 N -1.75 1.52 -4.71 1.61 7.64 -0.01 -4.77 113.62 113.15 3kx6 n SER 339 Ca -0.17 -3.22 -0.43 0.00 1.01 0.00 0.00 58.87 56.06 3kx6 n SER 339 Cb 0.64 -0.45 -0.01 0.00 -1.01 0.00 0.00 64.21 63.38 3kx6 n SER 339 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3kx6 n LEU 340 N -0.54 3.70 -2.93 -3.43 7.94 -1.23 -4.77 117.00 115.75 3kx6 n LEU 340 Ca 0.15 1.18 -0.14 0.00 -1.11 0.00 0.00 56.01 56.09 3kx6 n LEU 340 Cb 0.86 -1.50 0.01 0.00 0.53 0.00 0.00 43.42 43.31 3kx6 n LEU 340 CO -0.03 -0.30 0.01 2.29 -1.11 0.00 0.00 177.39 178.25 3kx6 n LYS 341 N 1.24 0.79 -5.19 1.96 2.85 -1.26 -5.03 118.16 113.53 3kx6 n LYS 341 Ca 0.07 -2.37 -0.30 0.00 -1.05 0.00 0.00 58.31 54.65 3kx6 n LYS 341 Cb 0.35 -1.35 -0.16 0.00 -0.65 0.00 0.00 35.03 33.21 3kx6 n LYS 341 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 3kx6 s TYR 356 N -0.20 2.30 -0.21 5.58 5.04 -1.26 -5.06 117.35 123.53 3kx6 s TYR 356 Ca 0.33 -0.67 -0.05 0.00 -2.44 0.00 0.00 57.07 54.24 3kx6 s TYR 356 Cb 0.22 -1.51 -0.02 0.00 0.35 0.00 0.00 41.96 41.00 3kx6 s TYR 356 CO -0.17 -0.20 -0.01 0.42 -1.34 0.00 0.00 175.55 174.24 3kx6 s ILE 357 N -0.14 3.71 -2.66 3.14 1.01 -1.26 -5.25 121.20 119.74 3kx6 s ILE 357 Ca -0.03 -0.39 0.27 0.00 0.00 0.00 0.00 60.65 60.50 3kx6 s ILE 357 Cb -0.13 -2.69 0.43 0.00 0.01 0.00 0.00 42.46 40.08 3kx6 s ILE 357 CO 0.03 0.42 1.59 -1.22 0.00 0.00 0.00 174.94 175.75