#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kx6 s LEU 5 N 0.00 3.94 0.56 -0.35 2.96 -1.26 -5.02 118.68 119.51 3kx6 s LEU 5 Ca 0.00 1.37 -0.05 0.00 -0.22 0.00 0.00 54.13 55.23 3kx6 s LEU 5 Cb 0.00 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.15 3kx6 s LEU 5 CO 0.00 -1.05 0.86 -0.94 -1.32 0.00 0.00 176.35 173.90 3kx6 s SER 6 N 2.89 5.75 0.32 3.68 1.04 -1.26 -4.88 113.70 121.24 3kx6 s SER 6 Ca 0.59 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.75 3kx6 s SER 6 Cb -0.19 -1.81 0.52 0.00 0.10 0.00 0.00 66.02 64.64 3kx6 s SER 6 CO 0.23 -0.93 1.95 0.06 0.98 0.00 0.00 173.24 175.53 3kx6 h GLN 7 N -0.05 0.91 -0.00 4.02 -0.00 -1.99 0.79 115.11 118.79 3kx6 h GLN 7 Ca -0.46 -0.08 -0.27 0.00 -0.00 0.00 0.00 58.65 57.84 3kx6 h GLN 7 Cb 1.24 -0.19 0.02 0.00 -0.00 0.00 0.00 27.48 28.55 3kx6 h GLN 7 CO 0.61 0.65 -1.04 1.49 -0.00 0.00 0.00 178.83 180.54 3kx6 h GLU 8 N 0.93 0.71 -0.61 0.06 4.57 -1.98 -0.81 114.58 117.45 3kx6 h GLU 8 Ca 0.24 -0.76 -0.03 0.00 -1.18 0.00 0.00 59.36 57.63 3kx6 h GLU 8 Cb -0.02 0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 3kx6 h GLU 8 CO -0.04 1.33 0.25 0.00 -1.18 0.00 0.00 179.01 179.37 3kx6 h ARG 9 N 0.40 0.90 -0.78 1.92 -0.00 -1.89 -1.67 114.38 113.27 3kx6 h ARG 9 Ca -0.13 -0.16 -0.03 0.00 -0.50 0.00 0.00 59.98 59.16 3kx6 h ARG 9 Cb 1.69 -0.15 -0.04 0.00 0.00 0.00 0.00 29.97 31.48 3kx6 h ARG 9 CO 0.20 0.76 0.36 0.00 0.00 0.00 0.00 179.97 181.30 3kx6 h ALA 10 N 1.10 1.00 -0.23 0.04 0.00 -0.76 -1.71 119.26 118.70 3kx6 h ALA 10 Ca 0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3kx6 h ALA 10 Cb 0.19 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3kx6 h ALA 10 CO -0.02 0.58 0.07 -0.22 0.00 0.00 0.00 179.25 179.66 3kx6 h LYS 11 N 1.10 0.35 -0.75 0.00 3.64 -1.04 -0.13 116.57 119.75 3kx6 h LYS 11 Ca 0.27 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 3kx6 h LYS 11 Cb 0.14 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 3kx6 h LYS 11 CO -0.03 0.44 0.47 1.49 -2.27 0.00 0.00 179.45 179.55 3kx6 h GLU 12 N 0.19 0.89 -0.18 1.90 4.81 -1.11 -0.38 114.58 120.71 3kx6 h GLU 12 Ca 0.07 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3kx6 h GLU 12 Cb 0.24 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3kx6 h GLU 12 CO -0.00 0.59 0.09 -0.07 -0.73 0.00 0.00 179.01 178.89 3kx6 h LEU 13 N 0.92 0.23 -0.81 1.64 3.38 -1.07 -1.48 115.31 118.12 3kx6 h LEU 13 Ca 0.30 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 3kx6 h LEU 13 Cb 0.03 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3kx6 h LEU 13 CO -0.12 0.26 0.24 0.00 0.09 0.00 0.00 178.44 178.91 3kx6 h ALA 14 N 0.97 1.04 -0.30 1.53 0.00 -0.70 0.06 119.26 121.87 3kx6 h ALA 14 Ca 0.06 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3kx6 h ALA 14 Cb 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3kx6 h ALA 14 CO -0.01 0.65 -0.01 0.93 0.00 0.00 0.00 179.25 180.82 3kx6 h GLU 15 N 1.08 0.53 -0.54 0.00 5.08 -0.91 -1.20 114.58 118.62 3kx6 h GLU 15 Ca 0.24 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 3kx6 h GLU 15 Cb 0.29 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3kx6 h GLU 15 CO -0.01 0.68 -0.03 -0.91 -1.00 0.00 0.00 179.01 177.74 3kx6 h ASN 16 N 0.32 0.93 -0.35 1.42 2.35 -1.07 0.24 115.58 119.43 3kx6 h ASN 16 Ca 0.08 -0.26 -0.05 0.00 -0.55 0.00 0.00 56.30 55.52 3kx6 h ASN 16 Cb 0.45 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3kx6 h ASN 16 CO 0.02 1.01 0.01 0.00 -1.65 0.00 0.00 177.43 176.81 3kx6 h ALA 17 N 1.09 0.47 -0.34 -0.83 0.00 -0.94 -0.94 119.26 117.76 3kx6 h ALA 17 Ca 0.15 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3kx6 h ALA 17 Cb 0.55 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3kx6 h ALA 17 CO 0.03 0.22 -0.03 0.77 0.00 0.00 0.00 179.25 180.24 3kx6 h SER 18 N 0.42 0.51 -0.39 0.00 0.02 -1.07 -1.81 113.55 111.23 3kx6 h SER 18 Ca 0.10 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3kx6 h SER 18 Cb 0.44 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 3kx6 h SER 18 CO 0.02 0.60 0.17 0.15 -1.14 0.00 0.00 176.83 176.63 3kx6 h PHE 19 N 0.51 0.58 -0.36 3.45 3.57 -0.68 -2.32 116.94 121.70 3kx6 h PHE 19 Ca 0.11 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 3kx6 h PHE 19 Cb 0.38 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3kx6 h PHE 19 CO 0.01 0.50 -0.01 0.82 -2.23 0.00 0.00 178.31 177.41 3kx6 h ILE 20 N 0.49 1.21 -0.23 1.41 2.04 -0.85 -2.02 117.51 119.56 3kx6 h ILE 20 Ca 0.13 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.16 3kx6 h ILE 20 Cb 0.15 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3kx6 h ILE 20 CO -0.01 0.29 0.00 0.00 0.00 0.00 0.00 178.15 178.42 3kx6 n ALA 21 N -2.48 2.75 -1.66 1.87 0.00 -0.71 -4.60 120.51 115.69 3kx6 n ALA 21 Ca 0.02 -0.57 -0.44 0.00 0.00 0.00 0.00 53.44 52.44 3kx6 n ALA 21 Cb 0.26 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 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 0.24 2.39 -4.60 0.00 7.64 -0.76 -4.73 113.62 113.80 3kx6 n SER 22 Ca 0.09 1.17 -0.50 0.00 1.01 0.00 0.00 58.87 60.63 3kx6 n SER 22 Cb 0.42 -1.40 -0.05 0.00 -1.01 0.00 0.00 64.21 62.16 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 1.40 1.32 -0.67 1.43 -0.02 -1.26 -1.40 135.00 135.80 3kx6 n PRO 23 Ca 0.10 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3kx6 n PRO 23 Cb 0.32 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 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 2.56 1.00 3.45 -1.23 0.00 -1.26 -5.02 105.19 104.68 3kx6 n GLY 24 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.26 1.64 0.00 1.61 1.02 -0.49 -4.51 119.74 118.75 3kx6 s LYS 25 Ca 0.00 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 54.71 3kx6 s LYS 25 Cb 0.00 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 3kx6 s LYS 25 CO 0.00 0.46 0.00 0.41 -0.92 0.00 0.00 175.35 175.30 3kx6 n GLY 26 N 0.75 4.20 3.50 -3.33 0.00 -0.45 -4.64 105.19 105.22 3kx6 n GLY 26 Ca -0.16 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.80 3.52 -0.20 -0.61 1.01 0.42 -0.64 121.20 122.90 3kx6 s ILE 27 Ca 0.00 -0.52 -0.17 0.00 0.00 0.00 0.00 60.65 59.96 3kx6 s ILE 27 Cb 0.00 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 3kx6 s ILE 27 CO 0.00 0.56 0.44 -0.22 0.00 0.00 0.00 174.94 175.72 3kx6 s LEU 28 N -0.29 4.15 -0.41 2.97 2.96 -0.55 -2.02 118.68 125.49 3kx6 s LEU 28 Ca 0.04 0.57 -0.17 0.00 -0.22 0.00 0.00 54.13 54.34 3kx6 s LEU 28 Cb -0.13 -2.58 0.02 0.00 0.50 0.00 0.00 46.19 44.00 3kx6 s LEU 28 CO 0.03 -0.12 0.41 0.00 -1.32 0.00 0.00 176.35 175.35 3kx6 s ALA 29 N 1.45 3.44 -0.24 5.97 0.00 -0.02 -0.98 121.76 131.38 3kx6 s ALA 29 Ca 0.21 -1.51 0.11 0.00 0.00 0.00 0.00 51.96 50.77 3kx6 s ALA 29 Cb -0.15 -3.01 0.44 0.00 0.00 0.00 0.00 23.12 20.41 3kx6 s ALA 29 CO 0.09 -1.51 1.20 0.00 0.00 0.00 0.00 175.76 175.53 3kx6 n ALA 30 N 5.52 4.14 -1.52 0.00 0.00 -0.19 -4.23 120.51 124.22 3kx6 n ALA 30 Ca -0.08 -3.44 -0.23 0.00 0.00 0.00 0.00 53.44 49.69 3kx6 n ALA 30 Cb 0.48 -0.39 0.11 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.81 5.20 -4.75 0.00 5.75 -1.05 -4.22 116.55 116.67 3kx6 n ASP 31 Ca 0.29 -3.76 -0.40 0.00 -0.01 0.00 0.00 54.79 50.91 3kx6 n ASP 31 Cb 0.85 -0.72 -0.04 0.00 -1.03 0.00 0.00 41.12 40.18 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 -3.56 4.66 0.78 0.11 8.01 -1.26 -4.59 118.70 122.85 3kx6 s GLU 32 Ca 0.56 1.75 -0.11 0.00 0.01 0.00 0.00 54.97 57.17 3kx6 s GLU 32 Cb 0.46 -3.22 0.06 0.00 -4.31 0.00 0.00 34.13 27.12 3kx6 s GLU 32 CO 0.02 0.23 1.09 -1.54 0.01 0.00 0.00 175.26 175.07 3kx6 s SER 33 N -0.79 4.62 0.28 -0.19 1.04 -1.26 -4.79 113.70 112.62 3kx6 s SER 33 Ca 0.45 1.43 0.00 0.00 0.48 0.00 0.00 55.95 58.31 3kx6 s SER 33 Cb -0.31 -2.19 0.66 0.00 0.10 0.00 0.00 66.02 64.29 3kx6 s SER 33 CO 0.39 -1.90 1.63 0.74 0.98 0.00 0.00 173.24 175.08 3kx6 h THR 34 N -1.04 0.28 -0.24 2.02 2.02 -1.98 0.43 112.91 114.40 3kx6 h THR 34 Ca -0.46 -0.06 -0.15 0.00 0.77 0.00 0.00 66.41 66.51 3kx6 h THR 34 Cb 1.25 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 3kx6 h THR 34 CO 0.58 0.03 -0.46 1.23 0.37 0.00 0.00 175.52 177.27 3kx6 h GLY 35 N 0.16 0.68 1.24 2.16 0.00 -2.01 -1.68 103.07 103.63 3kx6 h GLY 35 Ca 0.53 -0.72 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 3kx6 h GLY 35 CO -0.69 0.65 -0.31 -0.84 0.00 0.00 0.00 176.54 175.36 3kx6 h THR 36 N 0.50 1.28 -0.04 4.70 2.02 -1.71 -3.14 112.91 116.51 3kx6 h THR 36 Ca 0.03 -1.46 -0.05 0.00 0.77 0.00 0.00 66.41 65.70 3kx6 h THR 36 Cb 0.99 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 3kx6 h THR 36 CO 0.09 0.49 -0.20 0.40 0.37 0.00 0.00 175.52 176.67 3kx6 h ILE 37 N 0.72 1.17 -0.13 3.11 1.08 -0.75 -3.31 117.51 119.40 3kx6 h ILE 37 Ca 0.08 -0.77 0.04 0.00 -0.39 0.00 0.00 64.86 63.82 3kx6 h ILE 37 Cb 0.86 1.36 -0.07 0.00 -3.07 0.00 0.00 36.82 35.90 3kx6 h ILE 37 CO 0.08 0.23 -0.49 -0.61 -0.69 0.00 0.00 178.15 176.67 3kx6 h GLN 38 N 0.06 -0.53 -0.90 2.37 5.75 -1.25 -0.53 115.11 120.08 3kx6 h GLN 38 Ca 0.01 0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 3kx6 h GLN 38 Cb 0.39 0.12 -0.04 0.00 1.07 0.00 0.00 27.48 29.02 3kx6 h GLN 38 CO 0.03 -0.35 0.53 0.87 -2.65 0.00 0.00 178.83 177.25 3kx6 h LYS 39 N -0.55 1.23 -0.34 1.69 6.56 -1.74 0.20 116.57 123.63 3kx6 h LYS 39 Ca 0.05 -0.12 -0.11 0.00 -1.06 0.00 0.00 60.65 59.41 3kx6 h LYS 39 Cb 0.66 -0.25 -0.01 0.00 -0.57 0.00 0.00 32.23 32.06 3kx6 h LYS 39 CO -0.42 0.88 -0.23 0.00 -2.06 0.00 0.00 179.45 177.62 3kx6 h ARG 40 N 1.25 0.75 0.00 3.15 3.08 -1.54 -2.36 114.38 118.71 3kx6 h ARG 40 Ca 0.32 -0.36 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 3kx6 h ARG 40 Cb -0.03 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3kx6 h ARG 40 CO -0.06 0.98 -0.33 0.74 -1.07 0.00 0.00 179.97 180.23 3kx6 h PHE 41 N 0.53 0.00 -0.59 3.04 -1.00 -0.84 -2.86 116.94 115.21 3kx6 h PHE 41 Ca 0.07 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 3kx6 h PHE 41 Cb 0.79 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.32 3kx6 h PHE 41 CO 0.06 0.33 0.32 -0.44 -1.61 0.00 0.00 178.31 176.98 3kx6 h ASP 42 N 0.00 0.74 1.21 2.17 3.32 -0.53 0.40 116.42 123.74 3kx6 h ASP 42 Ca -0.00 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 3kx6 h ASP 42 Cb 0.76 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 3kx6 h ASP 42 CO 0.04 0.62 -0.03 0.78 -1.72 0.00 0.00 179.24 178.94 3kx6 h ASN 43 N 0.80 0.00 -0.51 6.45 2.35 -1.20 -1.83 115.58 121.65 3kx6 h ASN 43 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3kx6 h ASN 43 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3kx6 h ASN 43 CO -0.03 0.03 0.00 1.33 -1.65 0.00 0.00 177.43 177.10 3kx6 n VAL 44 N -3.12 1.52 -3.06 2.81 0.24 -1.17 -4.99 118.33 110.55 3kx6 n VAL 44 Ca 0.01 -1.21 -0.20 0.00 -2.04 0.00 0.00 64.34 60.90 3kx6 n VAL 44 Cb 0.36 0.24 0.04 0.00 -1.47 0.00 0.00 33.84 33.02 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 0.76 -0.37 3.39 7.63 0.00 -0.69 -4.46 105.19 111.46 3kx6 n GLY 45 Ca 0.21 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.15 3.28 0.18 1.61 1.01 0.08 -5.02 120.40 118.39 3kx6 s VAL 46 Ca 0.33 -0.57 -0.33 0.00 0.00 0.00 0.00 61.98 61.41 3kx6 s VAL 46 Cb -0.15 -2.41 -0.14 0.00 0.00 0.00 0.00 36.38 33.69 3kx6 s VAL 46 CO 0.41 0.50 1.57 -0.62 0.00 0.00 0.00 175.10 176.97 3kx6 n GLU 47 N 3.70 2.23 -2.68 2.72 1.02 -1.26 -4.30 120.64 122.06 3kx6 n GLU 47 Ca -0.18 0.80 -0.43 0.00 -0.02 0.00 0.00 57.16 57.33 3kx6 n GLU 47 Cb 0.52 -2.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 3kx6 n GLU 47 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3kx6 n ASN 48 N 3.27 5.01 -4.64 1.62 5.15 -1.26 -4.72 115.26 119.69 3kx6 n ASN 48 Ca 0.16 -2.94 -0.23 0.00 -0.60 0.00 0.00 54.58 50.96 3kx6 n ASN 48 Cb 0.30 -1.67 -0.07 0.00 -0.53 0.00 0.00 39.78 37.81 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 3.06 3.24 0.24 -0.44 -4.23 -1.26 -5.03 115.64 111.22 3kx6 s THR 49 Ca 0.49 -1.92 -0.05 0.00 -1.18 0.00 0.00 61.69 59.03 3kx6 s THR 49 Cb 0.02 -2.82 0.20 0.00 1.34 0.00 0.00 72.50 71.23 3kx6 s THR 49 CO 0.04 -0.33 1.77 -0.08 -0.54 0.00 0.00 174.62 175.48 3kx6 h GLU 50 N 1.85 0.56 -0.20 3.99 4.22 -2.00 -1.70 114.58 121.31 3kx6 h GLU 50 Ca -0.44 -0.03 -0.12 0.00 0.08 0.00 0.00 59.36 58.85 3kx6 h GLU 50 Cb 1.25 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3kx6 h GLU 50 CO 0.61 0.37 -0.38 0.87 -2.18 0.00 0.00 179.01 178.30 3kx6 h LYS 51 N 0.58 0.44 -0.18 1.92 1.57 -1.96 -1.47 116.57 117.46 3kx6 h LYS 51 Ca 0.39 -0.21 -0.15 0.00 -1.87 0.00 0.00 60.65 58.80 3kx6 h LYS 51 Cb 0.48 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3kx6 h LYS 51 CO -0.32 0.76 -0.52 -0.91 -0.57 0.00 0.00 179.45 177.89 3kx6 h ASN 52 N 0.37 0.58 -0.56 0.86 2.35 -1.76 -0.23 115.58 117.20 3kx6 h ASN 52 Ca 0.04 -0.30 -0.09 0.00 -0.55 0.00 0.00 56.30 55.40 3kx6 h ASN 52 Cb 0.84 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.02 3kx6 h ASN 52 CO 0.07 0.99 0.03 0.03 -1.65 0.00 0.00 177.43 176.90 3kx6 h ARG 53 N 0.41 1.00 -0.61 0.81 3.08 -0.98 -1.00 114.38 117.09 3kx6 h ARG 53 Ca 0.01 -0.29 -0.05 0.00 0.07 0.00 0.00 59.98 59.72 3kx6 h ARG 53 Cb 1.05 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.97 3kx6 h ARG 53 CO 0.10 0.96 0.19 0.00 -1.07 0.00 0.00 179.97 180.15 3kx6 h ALA 54 N 1.10 0.80 0.30 0.04 0.00 -1.11 -0.70 119.26 119.69 3kx6 h ALA 54 Ca 0.17 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kx6 h ALA 54 Cb 0.50 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kx6 h ALA 54 CO 0.02 0.47 -0.25 1.49 0.00 0.00 0.00 179.25 180.98 3kx6 h GLU 55 N 0.87 -0.54 -0.03 0.00 4.81 -0.77 0.08 114.58 119.00 3kx6 h GLU 55 Ca 0.20 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.48 3kx6 h GLU 55 Cb 0.29 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3kx6 h GLU 55 CO -0.01 -0.36 -0.06 -0.92 -0.73 0.00 0.00 179.01 176.94 3kx6 h TYR 56 N -0.56 -0.14 0.00 0.92 3.20 -1.14 -2.59 116.97 116.66 3kx6 h TYR 56 Ca -0.02 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 3kx6 h TYR 56 Cb 0.50 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 3kx6 h TYR 56 CO -0.14 -0.09 -0.28 0.00 -1.64 0.00 0.00 178.16 176.01 3kx6 h ARG 57 N -0.09 0.00 -0.17 1.82 3.08 -1.03 -1.93 114.38 116.06 3kx6 h ARG 57 Ca 0.03 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 3kx6 h ARG 57 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3kx6 h ARG 57 CO -0.08 0.28 -0.30 0.66 -1.07 0.00 0.00 179.97 179.46 3kx6 h SER 58 N 0.00 0.33 -0.17 7.04 4.64 -0.65 -1.36 113.55 123.39 3kx6 h SER 58 Ca -0.00 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 3kx6 h SER 58 Cb 0.61 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 3kx6 h SER 58 CO 0.04 0.63 0.08 0.40 -0.87 0.00 0.00 176.83 177.11 3kx6 h ILE 59 N 0.29 1.12 -0.26 0.95 2.04 -0.98 -2.03 117.51 118.63 3kx6 h ILE 59 Ca 0.04 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.60 3kx6 h ILE 59 Cb 0.69 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 3kx6 h ILE 59 CO 0.05 0.11 0.03 -0.07 0.00 0.00 0.00 178.15 178.27 3kx6 h LEU 60 N 0.15 -0.04 -0.01 1.44 3.38 -1.27 -3.00 115.31 115.96 3kx6 h LEU 60 Ca 0.06 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kx6 h LEU 60 Cb 0.10 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3kx6 h LEU 60 CO -0.01 0.01 -0.00 0.49 0.09 0.00 0.00 178.44 179.02 3kx6 n PHE 61 N -5.12 0.00 -0.60 1.13 3.72 -0.54 -2.53 117.46 113.53 3kx6 n PHE 61 Ca -0.01 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.46 3kx6 n PHE 61 Cb 0.13 -0.21 0.22 0.00 -0.94 0.00 0.00 39.48 38.68 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 -1.20 1.68 -1.97 4.37 -2.24 -0.78 -4.53 114.28 109.62 3kx6 n THR 62 Ca 0.17 -1.43 -0.43 0.00 -2.27 0.00 0.00 64.05 60.09 3kx6 n THR 62 Cb 0.21 0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.53 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 -1.93 3.48 0.04 4.28 2.01 -1.05 -4.92 115.64 117.55 3kx6 s THR 63 Ca 0.34 0.53 -0.30 0.00 0.31 0.00 0.00 61.69 62.57 3kx6 s THR 63 Cb 0.24 -3.52 -0.08 0.00 0.01 0.00 0.00 72.50 69.15 3kx6 s THR 63 CO 0.13 -0.25 1.78 -1.59 -0.69 0.00 0.00 174.62 174.00 3kx6 s LYS 64 N 5.11 4.17 0.00 4.92 0.00 -1.26 -2.07 119.74 130.61 3kx6 s LYS 64 Ca 0.79 2.43 0.00 0.00 0.00 0.00 0.00 55.97 59.20 3kx6 s LYS 64 Cb -0.27 -3.85 0.00 0.00 0.00 0.00 0.00 37.83 33.71 3kx6 s LYS 64 CO 0.32 -0.84 0.00 0.41 0.00 0.00 0.00 175.35 175.24 3kx6 n GLY 65 N 4.23 0.54 0.35 0.59 0.00 -1.26 -4.93 105.19 104.70 3kx6 n GLY 65 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 0.54 -0.92 0.99 5.85 -1.76 -2.04 115.31 117.98 3kx6 h LEU 66 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kx6 h LEU 66 Cb 0.00 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.92 3kx6 h LEU 66 CO 0.00 0.34 0.00 0.61 -0.34 0.00 0.00 178.44 179.05 3kx6 n GLY 67 N -1.48 -0.91 0.19 3.75 0.00 -1.25 -1.20 105.19 104.30 3kx6 n GLY 67 Ca 0.10 0.12 0.03 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.65 -3.35 116.57 114.75 3kx6 h LYS 68 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3kx6 h LYS 68 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3kx6 h LYS 68 CO 0.00 0.34 -1.25 0.66 -0.57 0.00 0.00 179.45 178.62 3kx6 n TYR 69 N -4.09 0.00 -4.16 -1.35 4.01 -0.61 -4.77 117.16 106.19 3kx6 n TYR 69 Ca -0.02 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.38 3kx6 n TYR 69 Cb 0.38 -0.14 -0.14 0.00 -0.31 0.00 0.00 39.34 39.13 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 -2.31 3.20 -0.16 -0.72 -1.09 -0.35 -1.35 121.20 118.44 3kx6 s ILE 70 Ca -0.02 -0.57 0.15 0.00 -2.23 0.00 0.00 60.65 57.99 3kx6 s ILE 70 Cb 0.03 -2.42 -0.24 0.00 -1.58 0.00 0.00 42.46 38.25 3kx6 s ILE 70 CO 0.21 0.46 0.23 -1.54 -1.23 0.00 0.00 174.94 173.07 3kx6 n SER 71 N 4.41 0.36 -3.87 3.58 3.41 0.19 -4.37 113.62 117.32 3kx6 n SER 71 Ca -0.18 0.12 -0.10 0.00 -0.26 0.00 0.00 58.87 58.44 3kx6 n SER 71 Cb 0.51 0.62 -0.09 0.00 -0.26 0.00 0.00 64.21 64.99 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 -5.42 0.07 -0.07 5.00 0.00 -1.24 -1.47 107.32 104.19 3kx6 s GLY 72 Ca -0.10 -0.32 -0.00 0.00 0.00 0.00 0.00 44.72 44.31 3kx6 s GLY 72 CO 0.82 -0.47 -0.04 0.00 0.00 0.00 0.00 173.10 173.40 3kx6 s ILE 74 N 1.44 4.92 0.18 0.00 1.01 -0.15 -0.66 121.20 127.94 3kx6 s ILE 74 Ca -0.02 1.55 0.06 0.00 0.00 0.00 0.00 60.65 62.24 3kx6 s ILE 74 Cb -0.13 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 3kx6 s ILE 74 CO -0.03 0.06 0.08 -0.76 0.00 0.00 0.00 174.94 174.29 3kx6 s LEU 75 N 1.97 3.57 0.39 2.97 1.43 0.33 -1.03 118.68 128.31 3kx6 s LEU 75 Ca 0.37 -0.28 -0.20 0.00 -1.03 0.00 0.00 54.13 52.99 3kx6 s LEU 75 Cb -0.17 -2.18 -0.10 0.00 0.03 0.00 0.00 46.19 43.77 3kx6 s LEU 75 CO 0.13 0.06 0.89 0.12 0.23 0.00 0.00 176.35 177.78 3kx6 s PHE 76 N -1.82 3.35 0.25 0.29 5.36 -1.26 -1.50 117.98 122.66 3kx6 s PHE 76 Ca 0.30 1.51 -0.06 0.00 -0.96 0.00 0.00 56.93 57.72 3kx6 s PHE 76 Cb -0.09 -2.77 0.47 0.00 -0.34 0.00 0.00 43.02 40.29 3kx6 s PHE 76 CO 0.21 -0.03 1.63 1.49 -1.46 0.00 0.00 175.22 177.06 3kx6 h GLU 77 N 2.10 0.09 -0.75 10.12 4.81 -1.96 -0.01 114.58 128.97 3kx6 h GLU 77 Ca -0.49 -0.01 0.17 0.00 -0.13 0.00 0.00 59.36 58.91 3kx6 h GLU 77 Cb 1.18 -0.02 -0.12 0.00 0.63 0.00 0.00 28.75 30.42 3kx6 h GLU 77 CO 0.62 0.06 0.06 1.49 -0.73 0.00 0.00 179.01 180.52 3kx6 h GLU 78 N 0.09 0.14 -0.13 1.92 4.81 -1.98 -2.49 114.58 116.95 3kx6 h GLU 78 Ca 0.43 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.46 3kx6 h GLU 78 Cb 0.77 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.12 3kx6 h GLU 78 CO -0.70 0.10 -0.72 1.15 -0.73 0.00 0.00 179.01 178.10 3kx6 h THR 79 N 0.15 1.33 -0.61 0.32 2.02 -1.40 -2.72 112.91 111.99 3kx6 h THR 79 Ca 0.42 -2.01 0.09 0.00 0.77 0.00 0.00 66.41 65.67 3kx6 h THR 79 Cb 0.74 1.99 -0.04 0.00 -1.74 0.00 0.00 68.15 69.10 3kx6 h THR 79 CO -0.61 0.62 0.41 0.25 0.37 0.00 0.00 175.52 176.56 3kx6 h LEU 80 N 0.42 0.43 -2.89 2.58 5.85 -1.07 -2.12 115.31 118.50 3kx6 h LEU 80 Ca -0.03 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3kx6 h LEU 80 Cb 1.31 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3kx6 h LEU 80 CO 0.14 0.26 0.00 0.49 -0.34 0.00 0.00 178.44 178.99 3kx6 n PHE 81 N -4.48 1.04 -3.76 1.25 3.72 -1.06 -4.57 117.46 109.60 3kx6 n PHE 81 Ca 0.10 -0.54 -0.23 0.00 -0.05 0.00 0.00 57.45 56.72 3kx6 n PHE 81 Cb 0.33 -0.08 -0.02 0.00 -0.94 0.00 0.00 39.48 38.77 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 -1.28 3.46 -0.03 -1.08 0.74 -0.80 -5.00 119.66 115.67 3kx6 s GLN 82 Ca 0.46 -0.57 0.00 0.00 0.05 0.00 0.00 55.36 55.30 3kx6 s GLN 82 Cb 0.26 -2.82 -0.03 0.00 1.10 0.00 0.00 33.01 31.51 3kx6 s GLN 82 CO 0.28 0.35 -0.00 -0.65 -0.55 0.00 0.00 175.29 174.72 3kx6 s GLN 83 N -3.92 2.85 1.03 1.67 -0.21 -1.26 -1.60 119.66 118.21 3kx6 s GLN 83 Ca 0.36 -0.54 -0.12 0.00 0.02 0.00 0.00 55.36 55.08 3kx6 s GLN 83 Cb -0.10 -2.70 0.21 0.00 1.00 0.00 0.00 33.01 31.42 3kx6 s GLN 83 CO 0.31 0.65 1.08 0.00 -2.12 0.00 0.00 175.29 175.21 3kx6 s ALA 84 N -1.00 0.63 0.43 6.09 0.00 0.94 -4.86 121.76 123.99 3kx6 s ALA 84 Ca 0.17 -0.22 0.22 0.00 0.00 0.00 0.00 51.96 52.12 3kx6 s ALA 84 Cb -0.11 -3.17 1.18 0.00 0.00 0.00 0.00 23.12 21.02 3kx6 s ALA 84 CO 0.07 -3.07 1.80 -1.35 0.00 0.00 0.00 175.76 173.22 3kx6 h PRO 85 N -2.06 0.31 -0.21 0.00 0.11 -1.89 -0.77 132.00 127.49 3kx6 h PRO 85 Ca -0.56 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.54 3kx6 h PRO 85 Cb 1.32 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kx6 h PRO 85 CO 0.55 0.20 0.00 0.27 -0.21 0.00 0.00 178.00 178.81 3kx6 n ASN 86 N -4.52 1.48 0.00 -2.05 6.94 -1.26 -4.92 115.26 110.93 3kx6 n ASN 86 Ca 0.23 -1.80 0.00 0.00 -0.02 0.00 0.00 54.58 52.99 3kx6 n ASN 86 Cb 0.89 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 38.18 3kx6 n ASN 86 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kx6 n GLY 87 N 1.03 1.28 3.77 4.83 0.00 -0.30 -5.06 105.19 110.75 3kx6 n GLY 87 Ca 0.13 0.00 -0.39 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 -0.58 4.18 0.21 1.61 -0.21 -1.26 -4.70 119.66 118.91 3kx6 s GLN 88 Ca 0.00 1.92 -0.30 0.00 0.02 0.00 0.00 55.36 57.00 3kx6 s GLN 88 Cb 0.00 -2.82 -0.09 0.00 1.00 0.00 0.00 33.01 31.10 3kx6 s GLN 88 CO 0.00 -0.23 1.38 -0.80 -2.12 0.00 0.00 175.29 173.52 3kx6 s ASN 89 N -0.96 6.77 0.27 5.90 0.01 -1.26 -0.04 114.94 125.63 3kx6 s ASN 89 Ca 0.54 2.52 -0.00 0.00 -0.71 0.00 0.00 52.86 55.21 3kx6 s ASN 89 Cb -0.33 -2.61 0.57 0.00 0.41 0.00 0.00 41.25 39.28 3kx6 s ASN 89 CO 0.42 -0.63 1.75 0.24 -1.51 0.00 0.00 177.10 177.38 3kx6 h MET 90 N 5.42 0.59 -0.64 -0.60 2.86 -1.56 -0.95 114.93 120.03 3kx6 h MET 90 Ca -0.45 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.15 3kx6 h MET 90 Cb 1.21 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.71 3kx6 h MET 90 CO 0.79 0.39 0.39 -0.39 1.06 0.00 0.00 176.91 179.14 3kx6 h VAL 91 N 0.60 1.18 -0.06 -2.22 -1.51 -1.81 -1.68 116.25 110.76 3kx6 h VAL 91 Ca 0.48 -0.40 -0.10 0.00 -1.23 0.00 0.00 66.70 65.45 3kx6 h VAL 91 Cb 0.71 0.28 -0.01 0.00 -2.13 0.00 0.00 31.29 30.14 3kx6 h VAL 91 CO -0.38 0.19 -0.45 0.44 -1.23 0.00 0.00 177.57 176.14 3kx6 h ASP 92 N 0.88 0.14 -0.57 4.19 3.32 -1.57 -1.83 116.42 120.98 3kx6 h ASP 92 Ca 0.23 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 3kx6 h ASP 92 Cb -0.04 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3kx6 h ASP 92 CO -0.04 0.57 0.32 -0.07 -1.72 0.00 0.00 179.24 178.30 3kx6 h LEU 93 N 0.11 0.70 -0.33 1.55 3.38 -0.73 -0.38 115.31 119.62 3kx6 h LEU 93 Ca 0.01 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3kx6 h LEU 93 Cb 0.84 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3kx6 h LEU 93 CO 0.06 0.58 0.05 -0.07 0.09 0.00 0.00 178.44 179.16 3kx6 h LEU 94 N 0.77 0.52 -0.67 1.67 3.38 -1.23 -2.57 115.31 117.18 3kx6 h LEU 94 Ca 0.20 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.97 3kx6 h LEU 94 Cb 0.03 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 3kx6 h LEU 94 CO -0.03 0.65 0.37 0.03 0.09 0.00 0.00 178.44 179.55 3kx6 h ARG 95 N 0.37 0.67 0.00 1.13 3.08 -1.18 -1.16 114.38 117.29 3kx6 h ARG 95 Ca 0.10 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3kx6 h ARG 95 Cb 0.36 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 3kx6 h ARG 95 CO 0.01 0.44 -0.06 0.00 -1.07 0.00 0.00 179.97 179.28 3kx6 h ALA 96 N 1.35 1.65 -0.00 0.04 0.00 -0.77 -0.49 119.26 121.04 3kx6 h ALA 96 Ca 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3kx6 h ALA 96 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kx6 h ALA 96 CO -0.19 0.08 -0.09 0.39 0.00 0.00 0.00 179.25 179.44 3kx6 n GLU 97 N -4.10 0.09 -2.03 0.00 -0.58 -0.60 -4.93 120.64 108.49 3kx6 n GLU 97 Ca -0.03 -0.02 -0.07 0.00 -0.42 0.00 0.00 57.16 56.63 3kx6 n GLU 97 Cb 0.15 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.51 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 1.46 0.18 3.45 0.62 0.00 -0.19 -3.88 105.19 106.82 3kx6 n GLY 98 Ca 0.08 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.33 3.56 0.09 -0.61 1.01 -0.54 -4.88 121.20 117.50 3kx6 s ILE 99 Ca 0.00 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 59.87 3kx6 s ILE 99 Cb 0.00 -2.53 -0.06 0.00 0.01 0.00 0.00 42.46 39.88 3kx6 s ILE 99 CO 0.00 0.51 1.14 -0.76 0.00 0.00 0.00 174.94 175.83 3kx6 s LEU 100 N 0.31 4.41 0.32 2.97 1.43 -0.54 -3.90 118.68 123.67 3kx6 s LEU 100 Ca -0.06 1.99 -0.27 0.00 -1.03 0.00 0.00 54.13 54.76 3kx6 s LEU 100 Cb -0.15 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.39 3kx6 s LEU 100 CO 0.04 -0.36 1.03 -2.84 0.23 0.00 0.00 176.35 174.45 3kx6 s PRO 101 N 0.58 4.53 0.34 1.29 0.02 -1.26 -1.25 135.00 139.26 3kx6 s PRO 101 Ca 0.55 1.59 0.04 0.00 0.02 0.00 0.00 61.00 63.19 3kx6 s PRO 101 Cb -0.28 -2.95 -0.06 0.00 0.02 0.00 0.00 34.50 31.22 3kx6 s PRO 101 CO 0.31 0.17 0.05 0.20 -0.33 0.00 0.00 177.00 177.40 3kx6 s GLY 102 N -1.25 2.16 -0.09 0.52 0.00 0.16 -1.01 107.32 107.80 3kx6 s GLY 102 Ca 0.49 -2.07 -0.06 0.00 0.00 0.00 0.00 44.72 43.08 3kx6 s GLY 102 CO 0.33 -1.86 0.23 -1.50 0.00 0.00 0.00 173.10 170.29 3kx6 s ILE 103 N -3.21 -0.02 -0.11 0.90 1.10 -0.32 -0.51 121.20 119.03 3kx6 s ILE 103 Ca 0.36 0.07 -0.30 0.00 -0.51 0.00 0.00 60.65 60.28 3kx6 s ILE 103 Cb 0.09 -0.34 -0.03 0.00 0.15 0.00 0.00 42.46 42.33 3kx6 s ILE 103 CO 0.16 0.03 1.36 -0.75 -2.11 0.00 0.00 174.94 173.63 3kx6 s LYS 104 N 0.67 4.24 0.00 3.50 2.20 -0.56 -0.91 119.74 128.87 3kx6 s LYS 104 Ca -0.05 1.82 0.05 0.00 -0.36 0.00 0.00 55.97 57.43 3kx6 s LYS 104 Cb -0.06 -3.77 -0.00 0.00 -1.51 0.00 0.00 37.83 32.49 3kx6 s LYS 104 CO -0.04 -0.69 0.46 1.33 -0.36 0.00 0.00 175.35 176.04 3kx6 n VAL 105 N 5.23 0.00 -2.02 4.02 0.24 -0.32 -4.71 118.33 120.77 3kx6 n VAL 105 Ca 0.14 -0.45 -0.30 0.00 -2.04 0.00 0.00 64.34 61.70 3kx6 n VAL 105 Cb 0.44 1.06 0.02 0.00 -1.47 0.00 0.00 33.84 33.89 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 -0.93 6.02 -0.14 -1.34 1.47 -1.24 -4.86 116.67 115.66 3kx6 s ASP 106 Ca 0.04 1.24 0.17 0.00 1.18 0.00 0.00 52.55 55.18 3kx6 s ASP 106 Cb 0.04 -2.27 0.37 0.00 -0.34 0.00 0.00 42.92 40.72 3kx6 s ASP 106 CO 0.13 -0.94 1.25 0.29 0.68 0.00 0.00 175.17 176.57 3kx6 n LYS 107 N -2.73 2.03 0.00 2.11 4.76 0.15 -4.97 118.16 119.52 3kx6 n LYS 107 Ca 0.05 -2.61 0.00 0.00 -2.87 0.00 0.00 58.31 52.88 3kx6 n LYS 107 Cb 0.55 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 3kx6 n LYS 107 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kx6 n GLY 108 N -0.99 0.81 3.56 0.72 0.00 -1.25 -4.80 105.19 103.24 3kx6 n GLY 108 Ca 0.17 -2.14 -0.34 0.00 0.00 0.00 0.00 46.02 43.72 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 3.18 0.10 0.99 1.43 -1.26 -0.36 118.68 122.76 3kx6 s LEU 109 Ca 0.00 -0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.10 3kx6 s LEU 109 Cb 0.00 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 3kx6 s LEU 109 CO 0.00 0.32 -0.13 0.68 0.23 0.00 0.00 176.35 177.45 3kx6 s VAL 110 N -0.52 1.13 0.35 -1.59 -7.23 -0.19 -4.96 120.40 107.38 3kx6 s VAL 110 Ca 0.08 -1.59 -0.26 0.00 -1.81 0.00 0.00 61.98 58.40 3kx6 s VAL 110 Cb -0.12 -1.36 -0.09 0.00 0.56 0.00 0.00 36.38 35.37 3kx6 s VAL 110 CO 0.02 -0.43 1.00 0.42 -0.31 0.00 0.00 175.10 175.81 3kx6 s THR 111 N -2.05 3.94 -0.03 5.32 -4.23 -1.26 -0.02 115.64 117.31 3kx6 s THR 111 Ca 0.05 1.60 -0.29 0.00 -1.18 0.00 0.00 61.69 61.87 3kx6 s THR 111 Cb -0.05 -3.88 -0.03 0.00 1.34 0.00 0.00 72.50 69.88 3kx6 s THR 111 CO 0.02 0.11 0.94 -0.63 -0.54 0.00 0.00 174.62 174.52 3kx6 s ILE 112 N -1.58 4.88 0.39 2.99 1.01 0.94 -4.78 121.20 125.05 3kx6 s ILE 112 Ca 0.52 1.96 -0.27 0.00 0.00 0.00 0.00 60.65 62.86 3kx6 s ILE 112 Cb -0.21 -4.27 -0.11 0.00 0.01 0.00 0.00 42.46 37.88 3kx6 s ILE 112 CO 0.27 0.14 1.34 -2.65 0.00 0.00 0.00 174.94 174.04 3kx6 n PRO 113 N 4.13 2.20 -1.93 2.79 -0.02 -1.26 -2.77 135.00 138.13 3kx6 n PRO 113 Ca 0.05 0.78 -0.16 0.00 -2.02 0.00 0.00 63.50 62.15 3kx6 n PRO 113 Cb 0.51 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.50 3kx6 n PRO 113 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kx6 n ASN 114 N 0.41 -4.88 -4.71 2.55 3.02 -1.26 -5.01 115.26 105.38 3kx6 n ASN 114 Ca 0.05 0.17 -0.25 0.00 -0.03 0.00 0.00 54.58 54.52 3kx6 n ASN 114 Cb 0.38 -3.91 -0.08 0.00 -0.61 0.00 0.00 39.78 35.56 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 -2.72 2.39 -1.27 3.41 -4.23 -1.11 -5.05 115.64 107.07 3kx6 s THR 115 Ca 0.00 -1.78 -0.14 0.00 -1.18 0.00 0.00 61.69 58.59 3kx6 s THR 115 Cb 0.00 -2.96 0.13 0.00 1.34 0.00 0.00 72.50 71.01 3kx6 s THR 115 CO 0.00 -0.05 1.65 -0.67 -0.54 0.00 0.00 174.62 175.00 3kx6 n ASP 116 N -1.15 5.02 -2.92 3.99 2.03 -1.26 -4.55 116.55 117.71 3kx6 n ASP 116 Ca -0.02 -2.97 -0.22 0.00 0.52 0.00 0.00 54.79 52.10 3kx6 n ASP 116 Cb 0.64 -1.62 0.02 0.00 -0.72 0.00 0.00 41.12 39.45 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 6.21 -4.08 -3.20 -0.67 4.71 -1.26 -4.99 120.64 117.35 3kx6 n GLU 117 Ca 0.42 0.88 -0.29 0.00 -0.01 0.00 0.00 57.16 58.15 3kx6 n GLU 117 Cb 0.42 -5.68 -0.03 0.00 -1.01 0.00 0.00 31.44 25.14 3kx6 n GLU 117 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 3kx6 s GLU 118 N -5.59 3.70 0.19 3.49 2.02 -1.26 -4.95 118.70 116.30 3kx6 s GLU 118 Ca 0.25 0.18 0.10 0.00 0.02 0.00 0.00 54.97 55.51 3kx6 s GLU 118 Cb -0.11 -2.57 -0.04 0.00 0.10 0.00 0.00 34.13 31.51 3kx6 s GLU 118 CO 0.31 0.15 -0.20 0.14 0.02 0.00 0.00 175.26 175.68 3kx6 s VAL 119 N -2.14 2.06 0.05 2.63 -7.23 -1.26 -0.04 120.40 114.46 3kx6 s VAL 119 Ca 0.47 -2.05 0.09 0.00 -1.81 0.00 0.00 61.98 58.67 3kx6 s VAL 119 Cb -0.11 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 3kx6 s VAL 119 CO 0.29 -0.30 -0.26 -0.55 -0.31 0.00 0.00 175.10 173.97 3kx6 s SER 120 N -2.86 3.14 -0.10 4.85 0.15 0.97 -4.79 113.70 115.06 3kx6 s SER 120 Ca 0.20 -0.59 -0.16 0.00 0.70 0.00 0.00 55.95 56.10 3kx6 s SER 120 Cb -0.06 -0.28 -0.05 0.00 -1.71 0.00 0.00 66.02 63.92 3kx6 s SER 120 CO 0.09 0.26 0.40 -0.89 1.20 0.00 0.00 173.24 174.29 3kx6 s THR 121 N -0.81 5.19 0.26 6.45 2.01 -1.26 -1.02 115.64 126.47 3kx6 s THR 121 Ca 0.12 0.79 0.06 0.00 0.31 0.00 0.00 61.69 62.97 3kx6 s THR 121 Cb -0.10 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 3kx6 s THR 121 CO 0.02 0.41 0.35 0.42 -0.69 0.00 0.00 174.62 175.13 3kx6 s THR 122 N 0.17 4.82 0.00 -0.82 -4.23 0.51 -4.85 115.64 111.23 3kx6 s THR 122 Ca 0.22 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 3kx6 s THR 122 Cb -0.15 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.02 3kx6 s THR 122 CO 0.09 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 3kx6 n GLY 123 N -1.41 -0.54 0.22 3.99 0.00 -1.26 -0.67 105.19 105.51 3kx6 n GLY 123 Ca -0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 0.11 -9.34 0.99 3.38 -1.91 -3.37 115.31 105.17 3kx6 h LEU 124 Ca 0.00 -0.03 -0.54 0.00 0.09 0.00 0.00 57.88 57.40 3kx6 h LEU 124 Cb 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3kx6 h LEU 124 CO 0.00 0.35 0.90 -1.81 0.09 0.00 0.00 178.44 177.98 3kx6 s ASP 125 N -6.93 6.80 0.00 -0.43 1.01 -1.26 -1.96 116.67 113.90 3kx6 s ASP 125 Ca -0.04 2.14 0.00 0.00 0.71 0.00 0.00 52.55 55.36 3kx6 s ASP 125 Cb 0.15 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.53 3kx6 s ASP 125 CO 0.73 -0.78 0.00 0.61 0.21 0.00 0.00 175.17 175.94 3kx6 n GLY 126 N 3.77 0.44 0.32 0.21 0.00 -1.26 -4.94 105.19 103.73 3kx6 n GLY 126 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 1.02 -0.60 0.99 5.85 -1.56 -1.38 115.31 119.64 3kx6 h LEU 127 Ca 0.00 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.59 3kx6 h LEU 127 Cb 0.21 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3kx6 h LEU 127 CO 0.00 0.91 0.36 0.00 -0.34 0.00 0.00 178.44 179.37 3kx6 h ALA 128 N 1.16 0.78 -0.46 1.25 0.00 -1.91 0.20 119.26 120.28 3kx6 h ALA 128 Ca 0.25 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 3kx6 h ALA 128 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3kx6 h ALA 128 CO -0.02 0.08 -0.27 0.93 0.00 0.00 0.00 179.25 179.96 3kx6 h GLU 129 N 0.70 0.99 -0.46 0.00 3.07 -1.87 -1.30 114.58 115.71 3kx6 h GLU 129 Ca 0.25 -0.45 -0.01 0.00 -0.50 0.00 0.00 59.36 58.64 3kx6 h GLU 129 Cb 0.05 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 3kx6 h GLU 129 CO -0.12 1.13 0.26 0.00 -1.40 0.00 0.00 179.01 178.88 3kx6 h ARG 130 N 0.84 0.63 -0.65 2.33 3.08 -0.80 -2.25 114.38 117.56 3kx6 h ARG 130 Ca 0.10 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.14 3kx6 h ARG 130 Cb 0.86 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.73 3kx6 h ARG 130 CO 0.08 0.49 0.35 0.00 -1.07 0.00 0.00 179.97 179.82 3kx6 h GLN 132 N 0.65 0.78 -0.68 0.00 4.20 -1.02 0.21 115.11 119.25 3kx6 h GLN 132 Ca 0.29 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.81 3kx6 h GLN 132 Cb 0.19 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 3kx6 h GLN 132 CO -0.19 0.64 0.11 -0.22 -0.67 0.00 0.00 178.83 178.50 3kx6 h LYS 133 N 0.72 1.12 -0.27 1.46 3.64 -0.98 -1.11 116.57 121.17 3kx6 h LYS 133 Ca 0.19 -0.30 -0.13 0.00 -1.27 0.00 0.00 60.65 59.13 3kx6 h LYS 133 Cb 0.12 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3kx6 h LYS 133 CO -0.02 1.02 -0.35 1.88 -2.27 0.00 0.00 179.45 179.71 3kx6 h TYR 134 N 1.05 0.87 -0.44 1.91 0.05 -0.62 -2.26 116.97 117.52 3kx6 h TYR 134 Ca 0.21 -0.28 0.07 0.00 0.05 0.00 0.00 58.73 58.77 3kx6 h TYR 134 Cb 0.45 -0.17 -0.06 0.00 1.01 0.00 0.00 36.73 37.95 3kx6 h TYR 134 CO 0.03 1.04 0.10 -0.92 -1.05 0.00 0.00 178.16 177.36 3kx6 h TYR 135 N 0.44 0.16 -0.18 4.88 3.20 -0.41 -1.69 116.97 123.37 3kx6 h TYR 135 Ca 0.03 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.94 3kx6 h TYR 135 Cb 0.93 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 3kx6 h TYR 135 CO 0.08 0.02 0.12 -0.91 -1.64 0.00 0.00 178.16 175.83 3kx6 h ASN 136 N 0.24 0.15 0.34 -2.11 2.35 -1.05 -0.59 115.58 114.91 3kx6 h ASN 136 Ca 0.22 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3kx6 h ASN 136 Cb 0.26 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3kx6 h ASN 136 CO -0.27 0.11 -0.12 0.00 -1.65 0.00 0.00 177.43 175.49 3kx6 n ALA 137 N -2.53 2.79 0.00 -0.83 0.00 -0.78 -4.93 120.51 114.24 3kx6 n ALA 137 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3kx6 n ALA 137 Cb 0.13 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 1.29 1.12 3.77 0.00 0.00 -0.23 -4.98 105.19 106.15 3kx6 n GLY 138 Ca 0.14 0.00 -0.39 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 3.21 0.00 4.61 0.00 -0.71 -4.34 121.76 122.53 3kx6 s ALA 139 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.13 3kx6 s ALA 139 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3kx6 s ALA 139 CO 0.00 -0.78 0.10 0.54 0.00 0.00 0.00 175.76 175.63 3kx6 n ARG 140 N 0.05 1.53 -4.07 0.00 5.12 -0.18 -4.21 116.66 114.91 3kx6 n ARG 140 Ca 0.04 -0.10 -0.09 0.00 -1.93 0.00 0.00 57.85 55.77 3kx6 n ARG 140 Cb 0.44 -0.45 -0.09 0.00 -1.16 0.00 0.00 32.46 31.20 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 -0.25 0.62 0.24 -1.55 -0.12 -1.23 -1.83 117.98 113.86 3kx6 s PHE 141 Ca 0.00 -1.04 0.07 0.00 -0.05 0.00 0.00 56.93 55.91 3kx6 s PHE 141 Cb 0.00 -0.33 -0.05 0.00 -0.63 0.00 0.00 43.02 42.01 3kx6 s PHE 141 CO 0.00 -0.53 -0.10 0.00 -0.05 0.00 0.00 175.22 174.54 3kx6 s ALA 142 N -3.98 2.13 -0.02 1.99 0.00 0.61 -1.17 121.76 121.31 3kx6 s ALA 142 Ca 0.17 -1.77 0.02 0.00 0.00 0.00 0.00 51.96 50.38 3kx6 s ALA 142 Cb 0.06 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.27 3kx6 s ALA 142 CO -0.02 -0.02 -0.05 0.21 0.00 0.00 0.00 175.76 175.87 3kx6 s LYS 143 N -3.70 0.59 -0.11 0.00 2.36 -0.09 -1.39 119.74 117.40 3kx6 s LYS 143 Ca 0.26 -0.18 -0.04 0.00 -2.55 0.00 0.00 55.97 53.46 3kx6 s LYS 143 Cb 0.02 -0.59 0.05 0.00 -1.05 0.00 0.00 37.83 36.26 3kx6 s LYS 143 CO 0.09 0.06 0.23 -0.46 1.55 0.00 0.00 175.35 176.82 3kx6 s TRP 144 N 0.21 -0.32 -0.23 4.03 -0.11 -1.24 -1.18 118.94 120.10 3kx6 s TRP 144 Ca -0.02 0.79 -0.07 0.00 1.22 0.00 0.00 56.10 58.02 3kx6 s TRP 144 Cb -0.07 -0.05 -0.03 0.00 -1.50 0.00 0.00 33.47 31.82 3kx6 s TRP 144 CO -0.00 -0.28 0.05 0.50 -4.62 0.00 0.00 176.95 172.60 3kx6 s ARG 145 N 1.85 3.66 0.06 5.86 3.52 -1.26 -3.27 118.95 129.38 3kx6 s ARG 145 Ca -0.03 -0.48 0.02 0.00 -0.13 0.00 0.00 55.73 55.10 3kx6 s ARG 145 Cb -0.11 -3.24 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 3kx6 s ARG 145 CO -0.08 -0.10 0.12 0.00 -0.81 0.00 0.00 175.30 174.43 3kx6 s ALA 146 N 1.35 3.70 -0.06 6.12 0.00 -0.59 -4.76 121.76 127.52 3kx6 s ALA 146 Ca 0.05 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.10 3kx6 s ALA 146 Cb -0.15 -1.57 0.01 0.00 0.00 0.00 0.00 23.12 21.41 3kx6 s ALA 146 CO 0.03 0.77 -0.14 0.08 0.00 0.00 0.00 175.76 176.49 3kx6 s VAL 147 N -1.40 1.25 0.14 0.00 1.01 -1.26 -0.88 120.40 119.26 3kx6 s VAL 147 Ca 0.30 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.80 3kx6 s VAL 147 Cb -0.12 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 3kx6 s VAL 147 CO 0.23 0.38 -0.19 -0.76 0.00 0.00 0.00 175.10 174.75 3kx6 s LEU 148 N 0.45 2.38 0.11 3.92 1.02 0.08 -4.50 118.68 122.15 3kx6 s LEU 148 Ca -0.12 -0.79 0.10 0.00 0.02 0.00 0.00 54.13 53.34 3kx6 s LEU 148 Cb -0.14 -0.85 -0.04 0.00 0.02 0.00 0.00 46.19 45.18 3kx6 s LEU 148 CO 0.04 0.00 -0.25 -0.44 0.02 0.00 0.00 176.35 175.71 3kx6 s SER 149 N -2.37 3.09 -0.16 2.29 0.01 -1.26 -0.87 113.70 114.43 3kx6 s SER 149 Ca 0.12 -0.71 -0.06 0.00 1.31 0.00 0.00 55.95 56.62 3kx6 s SER 149 Cb -0.07 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 3kx6 s SER 149 CO 0.06 0.16 0.02 -0.63 0.41 0.00 0.00 173.24 173.26 3kx6 s ILE 150 N -1.04 4.46 -0.28 1.44 1.01 -1.26 -1.85 121.20 123.67 3kx6 s ILE 150 Ca 0.12 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.62 3kx6 s ILE 150 Cb -0.10 -2.98 0.17 0.00 0.01 0.00 0.00 42.46 39.56 3kx6 s ILE 150 CO 0.05 0.49 0.49 -0.62 0.00 0.00 0.00 174.94 175.35 3kx6 s ASP 151 N 0.19 -0.57 0.08 3.58 3.68 -0.41 -4.81 116.67 118.41 3kx6 s ASP 151 Ca 0.02 0.25 -0.24 0.00 2.13 0.00 0.00 52.55 54.71 3kx6 s ASP 151 Cb -0.13 1.60 -0.16 0.00 -1.45 0.00 0.00 42.92 42.78 3kx6 s ASP 151 CO 0.01 -0.30 1.70 0.58 0.13 0.00 0.00 175.17 177.29 3kx6 h VAL 152 N 6.09 1.01 -0.46 1.11 2.07 -1.97 0.20 116.25 124.30 3kx6 h VAL 152 Ca -0.14 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.35 3kx6 h VAL 152 Cb 1.15 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 3kx6 h VAL 152 CO 0.24 0.02 0.14 0.11 0.02 0.00 0.00 177.57 178.11 3kx6 h LYS 153 N -0.07 0.29 -0.44 1.57 6.56 -1.97 -2.11 116.57 120.41 3kx6 h LYS 153 Ca -0.00 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 3kx6 h LYS 153 Cb 0.06 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 3kx6 h LYS 153 CO 0.01 0.19 0.00 1.63 -2.06 0.00 0.00 179.45 179.22 3kx6 n LYS 154 N -5.04 2.00 -3.95 3.15 5.02 -1.10 -4.92 118.16 113.31 3kx6 n LYS 154 Ca 0.04 -1.29 -0.28 0.00 -2.02 0.00 0.00 58.31 54.76 3kx6 n LYS 154 Cb 0.19 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 3kx6 n LYS 154 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kx6 n ASN 155 N 0.47 -2.53 -4.86 4.39 3.02 -0.58 -4.93 115.26 110.24 3kx6 n ASN 155 Ca 0.12 -0.90 -0.36 0.00 -0.03 0.00 0.00 54.58 53.41 3kx6 n ASN 155 Cb 0.37 -3.44 -0.06 0.00 -0.61 0.00 0.00 39.78 36.03 3kx6 n ASN 155 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3kx6 s LYS 156 N -6.55 3.38 0.11 3.52 1.02 -0.04 -3.30 119.74 117.89 3kx6 s LYS 156 Ca 0.37 -0.19 -0.30 0.00 0.02 0.00 0.00 55.97 55.87 3kx6 s LYS 156 Cb -0.19 -3.13 -0.06 0.00 -0.52 0.00 0.00 37.83 33.93 3kx6 s LYS 156 CO 0.86 0.76 0.99 -1.25 -0.92 0.00 0.00 175.35 175.79 3kx6 s PRO 157 N -1.14 4.67 0.82 -1.68 0.04 -0.77 -1.29 135.00 135.65 3kx6 s PRO 157 Ca 0.16 1.50 -0.11 0.00 0.04 0.00 0.00 61.00 62.60 3kx6 s PRO 157 Cb -0.12 -3.37 0.08 0.00 0.04 0.00 0.00 34.50 31.14 3kx6 s PRO 157 CO 0.06 0.17 1.10 -1.54 0.04 0.00 0.00 177.00 176.83 3kx6 s SER 158 N 0.05 4.04 0.31 6.66 1.04 -1.21 -4.83 113.70 119.77 3kx6 s SER 158 Ca 0.48 1.86 0.05 0.00 0.48 0.00 0.00 55.95 58.82 3kx6 s SER 158 Cb -0.24 -2.49 0.71 0.00 0.10 0.00 0.00 66.02 64.09 3kx6 s SER 158 CO 0.30 -2.34 1.82 0.78 0.98 0.00 0.00 173.24 174.78 3kx6 h ASN 159 N -1.34 0.80 -0.25 7.02 2.35 -2.00 -1.67 115.58 120.48 3kx6 h ASN 159 Ca -0.44 0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 55.25 3kx6 h ASN 159 Cb 1.24 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.53 3kx6 h ASN 159 CO 0.50 0.36 -0.33 0.25 -1.65 0.00 0.00 177.43 176.56 3kx6 h LEU 160 N 0.82 0.73 -0.61 1.61 5.85 -1.99 -0.58 115.31 121.14 3kx6 h LEU 160 Ca 0.52 -0.50 0.09 0.00 0.84 0.00 0.00 57.88 58.84 3kx6 h LEU 160 Cb 0.74 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 3kx6 h LEU 160 CO -0.30 1.08 0.24 -1.28 -0.34 0.00 0.00 178.44 177.84 3kx6 h SER 161 N 0.39 0.25 -0.32 1.25 0.87 -1.81 -0.54 113.55 113.64 3kx6 h SER 161 Ca 0.03 0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.61 3kx6 h SER 161 Cb 0.91 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.90 3kx6 h SER 161 CO 0.08 0.15 -0.03 0.40 -0.53 0.00 0.00 176.83 176.90 3kx6 h ILE 162 N 0.43 1.27 -0.25 2.23 2.04 -1.00 -0.44 117.51 121.79 3kx6 h ILE 162 Ca 0.31 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 3kx6 h ILE 162 Cb 0.36 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3kx6 h ILE 162 CO -0.30 0.33 0.16 -0.07 0.00 0.00 0.00 178.15 178.27 3kx6 h LEU 163 N 0.37 0.30 -0.40 1.44 3.38 -0.95 0.33 115.31 119.78 3kx6 h LEU 163 Ca 0.09 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3kx6 h LEU 163 Cb 0.49 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3kx6 h LEU 163 CO 0.02 0.25 0.13 -0.08 0.09 0.00 0.00 178.44 178.85 3kx6 h GLU 164 N 0.32 0.63 0.23 1.13 4.57 -1.11 -1.34 114.58 119.01 3kx6 h GLU 164 Ca 0.09 -0.13 0.01 0.00 -1.18 0.00 0.00 59.36 58.14 3kx6 h GLU 164 Cb 0.00 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 3kx6 h GLU 164 CO -0.02 0.62 -0.25 1.15 -1.18 0.00 0.00 179.01 179.33 3kx6 h THR 165 N 0.51 0.46 -0.03 0.32 2.02 -0.83 -1.61 112.91 113.74 3kx6 h THR 165 Ca 0.13 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 3kx6 h THR 165 Cb 0.26 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3kx6 h THR 165 CO -0.00 0.00 0.02 0.00 0.37 0.00 0.00 175.52 175.90 3kx6 h ALA 166 N 0.15 0.04 -0.52 6.16 0.00 -0.87 -1.66 119.26 122.56 3kx6 h ALA 166 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kx6 h ALA 166 Cb 0.50 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3kx6 h ALA 166 CO -0.07 -0.43 0.31 1.25 0.00 0.00 0.00 179.25 180.31 3kx6 h HIS 167 N -0.03 0.68 -0.07 0.00 -0.00 -1.23 -2.33 115.15 112.17 3kx6 h HIS 167 Ca 0.01 -0.00 -0.24 0.00 -0.00 0.00 0.00 60.37 60.14 3kx6 h HIS 167 Cb 0.07 -0.22 0.01 0.00 -0.00 0.00 0.00 27.41 27.27 3kx6 h HIS 167 CO -0.05 0.47 -0.89 1.15 -0.00 0.00 0.00 177.93 178.61 3kx6 h THR 168 N 0.69 1.30 -0.87 6.26 2.02 -1.14 -1.95 112.91 119.22 3kx6 h THR 168 Ca 0.19 -2.14 0.05 0.00 0.77 0.00 0.00 66.41 65.28 3kx6 h THR 168 Cb -0.01 2.19 -0.06 0.00 -1.74 0.00 0.00 68.15 68.53 3kx6 h THR 168 CO -0.03 0.66 0.55 -0.07 0.37 0.00 0.00 175.52 177.00 3kx6 h LEU 169 N 0.43 0.87 -0.43 2.58 3.38 -1.29 -0.55 115.31 120.30 3kx6 h LEU 169 Ca -0.08 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 3kx6 h LEU 169 Cb 1.53 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 3kx6 h LEU 169 CO 0.17 0.57 -0.26 0.00 0.09 0.00 0.00 178.44 179.02 3kx6 h ALA 170 N 1.39 0.62 -0.15 1.53 0.00 -1.25 -0.24 119.26 121.16 3kx6 h ALA 170 Ca 0.37 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kx6 h ALA 170 Cb 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kx6 h ALA 170 CO -0.15 0.63 0.09 0.00 0.00 0.00 0.00 179.25 179.82 3kx6 h ARG 171 N 0.78 0.20 -0.51 0.00 2.47 -1.05 -0.79 114.38 115.48 3kx6 h ARG 171 Ca 0.09 -0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.81 3kx6 h ARG 171 Cb 0.84 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 29.09 3kx6 h ARG 171 CO 0.07 0.17 0.32 -0.92 0.56 0.00 0.00 179.97 180.18 3kx6 h TYR 172 N 0.18 0.60 -0.58 3.04 3.20 -1.00 -1.79 116.97 120.62 3kx6 h TYR 172 Ca 0.05 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 3kx6 h TYR 172 Cb 0.02 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 3kx6 h TYR 172 CO -0.06 0.36 0.25 0.00 -1.64 0.00 0.00 178.16 177.07 3kx6 h ALA 173 N 1.21 0.75 -0.39 1.82 0.00 -0.86 -1.68 119.26 120.11 3kx6 h ALA 173 Ca 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kx6 h ALA 173 Cb -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3kx6 h ALA 173 CO -0.07 0.35 0.20 0.00 0.00 0.00 0.00 179.25 179.72 3kx6 h ALA 174 N 1.09 0.50 -0.36 0.00 0.00 -0.95 -2.30 119.26 117.23 3kx6 h ALA 174 Ca 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3kx6 h ALA 174 Cb 0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3kx6 h ALA 174 CO -0.02 0.05 0.13 0.82 0.00 0.00 0.00 179.25 180.22 3kx6 h ILE 175 N 0.49 1.20 -0.50 0.00 2.04 -1.21 -1.86 117.51 117.67 3kx6 h ILE 175 Ca 0.13 -0.65 0.07 0.00 1.00 0.00 0.00 64.86 65.42 3kx6 h ILE 175 Cb 0.09 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 3kx6 h ILE 175 CO -0.02 0.23 0.16 0.00 0.00 0.00 0.00 178.15 178.52 3kx6 h GLN 177 N 0.32 0.65 -0.00 0.00 4.20 -1.19 0.19 115.11 119.27 3kx6 h GLN 177 Ca 0.24 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3kx6 h GLN 177 Cb 0.28 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 3kx6 h GLN 177 CO -0.27 0.80 0.00 1.49 -0.67 0.00 0.00 178.83 180.19 3kx6 h GLU 178 N 0.58 0.00 0.00 1.46 4.81 -0.90 -3.21 114.58 117.32 3kx6 h GLU 178 Ca 0.09 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3kx6 h GLU 178 Cb 0.65 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 3kx6 h GLU 178 CO 0.05 0.00 -0.16 0.09 -0.73 0.00 0.00 179.01 178.26 3kx6 n ASN 179 N -3.70 2.04 0.00 1.04 3.02 -0.06 -4.99 115.26 112.62 3kx6 n ASN 179 Ca -0.03 -3.17 0.00 0.00 -0.03 0.00 0.00 54.58 51.35 3kx6 n ASN 179 Cb 0.08 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 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 -1.25 0.71 3.52 7.41 0.00 -0.80 -4.49 105.19 110.29 3kx6 n GLY 180 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 3.07 -0.16 0.99 1.43 -0.55 -4.85 118.68 118.61 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 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 3kx6 s LEU 181 CO 0.00 0.28 1.36 -0.69 0.23 0.00 0.00 176.35 177.54 3kx6 s VAL 182 N -0.34 4.10 -0.03 -1.59 1.01 -0.76 -3.23 120.40 119.54 3kx6 s VAL 182 Ca 0.05 1.31 -0.25 0.00 0.00 0.00 0.00 61.98 63.08 3kx6 s VAL 182 Cb -0.12 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3kx6 s VAL 182 CO 0.02 -0.17 0.78 -2.16 0.00 0.00 0.00 175.10 173.58 3kx6 s PRO 183 N 3.74 4.48 -0.36 2.72 0.04 -1.26 -0.29 135.00 144.08 3kx6 s PRO 183 Ca 0.59 1.05 -0.23 0.00 0.04 0.00 0.00 61.00 62.45 3kx6 s PRO 183 Cb -0.24 -3.44 0.01 0.00 0.04 0.00 0.00 34.50 30.87 3kx6 s PRO 183 CO 0.19 0.06 0.79 0.42 0.04 0.00 0.00 177.00 178.51 3kx6 s ILE 184 N 0.74 4.72 -0.38 0.56 1.01 -0.49 -2.08 121.20 125.28 3kx6 s ILE 184 Ca 0.42 0.91 -0.19 0.00 0.00 0.00 0.00 60.65 61.78 3kx6 s ILE 184 Cb -0.19 -4.22 0.01 0.00 0.01 0.00 0.00 42.46 38.07 3kx6 s ILE 184 CO 0.21 -0.44 0.58 -0.69 0.00 0.00 0.00 174.94 174.61 3kx6 s VAL 185 N 3.12 4.93 -0.48 2.92 1.01 0.04 -3.64 120.40 128.30 3kx6 s VAL 185 Ca 0.32 0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.62 3kx6 s VAL 185 Cb -0.13 -4.08 0.12 0.00 0.00 0.00 0.00 36.38 32.30 3kx6 s VAL 185 CO 0.17 -0.38 0.22 -0.70 0.00 0.00 0.00 175.10 174.41 3kx6 s GLU 186 N 2.59 1.88 -0.81 2.72 2.12 -1.20 -0.68 118.70 125.32 3kx6 s GLU 186 Ca 0.21 -2.45 -0.16 0.00 0.36 0.00 0.00 54.97 52.93 3kx6 s GLU 186 Cb -0.15 -3.31 0.18 0.00 0.26 0.00 0.00 34.13 31.12 3kx6 s GLU 186 CO 0.16 -1.07 0.83 -1.25 -0.54 0.00 0.00 175.26 173.38 3kx6 s PRO 187 N -0.01 3.51 -0.42 4.30 0.04 -1.24 -1.55 135.00 139.64 3kx6 s PRO 187 Ca 0.16 -2.15 -0.28 0.00 0.04 0.00 0.00 61.00 58.76 3kx6 s PRO 187 Cb -0.24 -4.52 0.02 0.00 0.04 0.00 0.00 34.50 29.80 3kx6 s PRO 187 CO -0.02 -1.43 1.06 -2.00 0.04 0.00 0.00 177.00 174.66 3kx6 s GLU 188 N 1.06 3.80 -0.40 4.56 2.12 -0.06 -4.45 118.70 125.33 3kx6 s GLU 188 Ca 0.20 0.64 -0.23 0.00 0.36 0.00 0.00 54.97 55.94 3kx6 s GLU 188 Cb -0.11 -3.85 0.02 0.00 0.26 0.00 0.00 34.13 30.44 3kx6 s GLU 188 CO -0.07 -1.18 0.80 0.42 -0.54 0.00 0.00 175.26 174.69 3kx6 s ILE 189 N 4.02 4.68 0.48 -3.70 1.01 -1.26 -0.74 121.20 125.69 3kx6 s ILE 189 Ca 0.44 0.71 -0.24 0.00 0.00 0.00 0.00 60.65 61.57 3kx6 s ILE 189 Cb -0.09 -4.27 -0.07 0.00 0.01 0.00 0.00 42.46 38.04 3kx6 s ILE 189 CO 0.25 -0.57 1.32 -0.76 0.00 0.00 0.00 174.94 175.18 3kx6 s LEU 190 N 3.23 4.01 0.00 2.97 1.43 -0.05 -4.80 118.68 125.47 3kx6 s LEU 190 Ca 0.31 2.69 0.31 0.00 -1.03 0.00 0.00 54.13 56.41 3kx6 s LEU 190 Cb -0.12 -4.12 1.65 0.00 0.03 0.00 0.00 46.19 43.63 3kx6 s LEU 190 CO 0.20 -1.22 2.09 0.00 0.23 0.00 0.00 176.35 177.65 3kx6 n ALA 191 N -0.51 2.66 -1.53 4.21 0.00 -1.26 -4.47 120.51 119.61 3kx6 n ALA 191 Ca 0.07 -0.25 -0.45 0.00 0.00 0.00 0.00 53.44 52.81 3kx6 n ALA 191 Cb 0.45 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.77 0.45 0.00 0.00 8.00 -1.26 -0.56 116.55 122.40 3kx6 n ASP 192 Ca 0.22 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.86 3kx6 n ASP 192 Cb 0.18 -1.19 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 3kx6 n ASP 192 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kx6 n GLY 193 N 1.47 -2.07 0.14 0.44 0.00 -1.26 -4.65 105.19 99.26 3kx6 n GLY 193 Ca 0.12 -2.11 0.08 0.00 0.00 0.00 0.00 46.02 44.11 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 2.43 -4.73 1.61 5.75 -1.26 -0.72 116.55 119.64 3kx6 n ASP 194 Ca 0.00 -2.89 -0.32 0.00 -0.01 0.00 0.00 54.79 51.57 3kx6 n ASP 194 Cb 0.00 -0.37 0.11 0.00 -1.03 0.00 0.00 41.12 39.84 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 -2.54 2.14 0.67 2.11 -3.43 -1.26 -4.17 115.29 108.80 3kx6 s HIS 195 Ca 0.28 1.65 -0.10 0.00 -0.80 0.00 0.00 55.06 56.09 3kx6 s HIS 195 Cb 0.24 -3.24 0.01 0.00 -1.43 0.00 0.00 32.58 28.15 3kx6 s HIS 195 CO 0.03 -2.30 1.04 -1.54 -2.00 0.00 0.00 174.74 169.98 3kx6 s SER 196 N -2.81 5.57 0.51 7.38 1.04 -1.26 -0.75 113.70 123.38 3kx6 s SER 196 Ca 0.66 1.07 0.17 0.00 0.48 0.00 0.00 55.95 58.33 3kx6 s SER 196 Cb -0.22 -1.95 1.25 0.00 0.10 0.00 0.00 66.02 65.21 3kx6 s SER 196 CO 0.53 -1.22 2.12 -0.29 0.98 0.00 0.00 173.24 175.36 3kx6 h ILE 197 N -0.51 0.98 -0.30 -1.02 2.10 -1.90 -1.55 117.51 115.31 3kx6 h ILE 197 Ca -0.45 -0.17 -0.16 0.00 1.08 0.00 0.00 64.86 65.17 3kx6 h ILE 197 Cb 1.25 1.09 -0.01 0.00 -1.09 0.00 0.00 36.82 38.06 3kx6 h ILE 197 CO 0.63 0.05 -0.44 -0.33 -1.08 0.00 0.00 178.15 176.98 3kx6 h GLU 198 N 0.00 0.77 -0.51 2.19 5.08 -1.93 -0.48 114.58 119.70 3kx6 h GLU 198 Ca -0.00 -0.42 -0.06 0.00 -1.00 0.00 0.00 59.36 57.88 3kx6 h GLU 198 Cb 0.09 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3kx6 h GLU 198 CO 0.01 1.05 0.08 0.28 -1.00 0.00 0.00 179.01 179.43 3kx6 h VAL 199 N 0.62 1.25 -0.78 3.13 2.07 -1.69 -1.98 116.25 118.86 3kx6 h VAL 199 Ca 0.04 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.64 3kx6 h VAL 199 Cb 1.00 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3kx6 h VAL 199 CO 0.10 0.34 0.51 0.00 0.02 0.00 0.00 177.57 178.53 3kx6 h ALA 201 N 1.30 0.43 -0.24 0.00 0.00 -0.89 0.13 119.26 119.99 3kx6 h ALA 201 Ca 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 3kx6 h ALA 201 Cb -0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kx6 h ALA 201 CO -0.08 -0.18 0.01 1.49 0.00 0.00 0.00 179.25 180.49 3kx6 h GLU 202 N 0.38 0.42 -0.52 0.00 4.22 -1.04 -1.63 114.58 116.41 3kx6 h GLU 202 Ca 0.14 -0.13 -0.04 0.00 0.08 0.00 0.00 59.36 59.41 3kx6 h GLU 202 Cb 0.03 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3kx6 h GLU 202 CO -0.08 0.59 0.18 0.28 -2.18 0.00 0.00 179.01 177.79 3kx6 h VAL 203 N 0.20 1.23 -0.43 0.32 2.07 -1.10 -2.03 116.25 116.50 3kx6 h VAL 203 Ca 0.07 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3kx6 h VAL 203 Cb 0.39 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3kx6 h VAL 203 CO 0.01 0.28 0.28 0.74 0.02 0.00 0.00 177.57 178.90 3kx6 h THR 204 N 0.72 1.12 -0.46 2.57 2.02 -0.65 -0.06 112.91 118.17 3kx6 h THR 204 Ca 0.17 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 3kx6 h THR 204 Cb 0.26 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3kx6 h THR 204 CO -0.01 0.12 0.19 -0.33 0.37 0.00 0.00 175.52 175.87 3kx6 h GLU 205 N 0.58 0.69 -0.45 6.66 5.08 -1.16 -0.81 114.58 125.18 3kx6 h GLU 205 Ca 0.16 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3kx6 h GLU 205 Cb -0.04 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3kx6 h GLU 205 CO -0.03 0.62 0.29 0.00 -1.00 0.00 0.00 179.01 178.89 3kx6 h ARG 206 N 0.61 0.58 -0.27 2.33 3.08 -1.11 -1.21 114.38 118.38 3kx6 h ARG 206 Ca 0.16 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 3kx6 h ARG 206 Cb 0.18 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3kx6 h ARG 206 CO -0.01 0.38 0.10 0.28 -1.07 0.00 0.00 179.97 179.65 3kx6 h VAL 207 N 0.59 1.18 -0.31 2.04 2.07 -0.72 -2.32 116.25 118.79 3kx6 h VAL 207 Ca 0.17 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 3kx6 h VAL 207 Cb -0.06 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3kx6 h VAL 207 CO -0.04 0.19 -0.16 -0.07 0.02 0.00 0.00 177.57 177.51 3kx6 h LEU 208 N 0.29 0.53 -0.50 2.57 3.38 -1.06 -0.12 115.31 120.40 3kx6 h LEU 208 Ca 0.09 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3kx6 h LEU 208 Cb 0.20 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3kx6 h LEU 208 CO -0.01 0.71 0.26 0.00 0.09 0.00 0.00 178.44 179.50 3kx6 h ALA 209 N 1.34 0.64 -0.51 1.53 0.00 -1.03 -0.34 119.26 120.90 3kx6 h ALA 209 Ca 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3kx6 h ALA 209 Cb 0.56 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3kx6 h ALA 209 CO 0.04 0.18 0.25 0.00 0.00 0.00 0.00 179.25 179.71 3kx6 h ALA 210 N 1.10 0.65 -0.23 0.00 0.00 -1.04 -2.10 119.26 117.65 3kx6 h ALA 210 Ca 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3kx6 h ALA 210 Cb 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3kx6 h ALA 210 CO -0.03 0.21 0.12 0.28 0.00 0.00 0.00 179.25 179.84 3kx6 h VAL 211 N 0.68 1.12 -0.08 0.00 2.07 -0.65 -1.34 116.25 118.04 3kx6 h VAL 211 Ca 0.18 -0.34 -0.13 0.00 0.82 0.00 0.00 66.70 67.22 3kx6 h VAL 211 Cb 0.11 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3kx6 h VAL 211 CO -0.02 0.12 -0.53 -0.26 0.02 0.00 0.00 177.57 176.90 3kx6 h PHE 212 N 0.25 0.27 -0.35 1.57 0.04 -1.04 -0.84 116.94 116.84 3kx6 h PHE 212 Ca 0.08 -0.09 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 3kx6 h PHE 212 Cb 0.09 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 3kx6 h PHE 212 CO -0.03 0.71 0.14 -0.22 -0.60 0.00 0.00 178.31 178.30 3kx6 h LYS 213 N 0.17 0.53 -0.91 1.51 1.63 -1.26 -1.78 116.57 116.46 3kx6 h LYS 213 Ca 0.00 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 3kx6 h LYS 213 Cb 0.99 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.50 3kx6 h LYS 213 CO 0.08 0.52 0.51 0.00 -3.45 0.00 0.00 179.45 177.12 3kx6 h ALA 214 N 0.98 1.16 -0.89 5.00 0.00 -0.84 -0.25 119.26 124.41 3kx6 h ALA 214 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kx6 h ALA 214 Cb 0.20 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3kx6 h ALA 214 CO -0.01 0.65 0.56 -0.07 0.00 0.00 0.00 179.25 180.38 3kx6 h LEU 215 N 1.26 1.04 0.00 0.00 3.38 -0.99 0.05 115.31 120.06 3kx6 h LEU 215 Ca 0.32 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 3kx6 h LEU 215 Cb -0.00 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3kx6 h LEU 215 CO -0.05 0.78 -0.00 -1.13 0.09 0.00 0.00 178.44 178.13 3kx6 h ASN 216 N 1.22 -0.00 -0.77 -0.43 -0.73 -0.80 -0.36 115.58 113.70 3kx6 h ASN 216 Ca 0.32 -0.25 0.12 0.00 1.87 0.00 0.00 56.30 58.36 3kx6 h ASN 216 Cb -0.09 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.45 3kx6 h ASN 216 CO -0.06 0.25 0.51 0.44 -0.37 0.00 0.00 177.43 178.19 3kx6 h ASP 217 N -0.25 0.55 -0.09 1.15 3.32 -0.64 -0.84 116.42 119.62 3kx6 h ASP 217 Ca -0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3kx6 h ASP 217 Cb 0.25 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3kx6 h ASP 217 CO 0.00 0.31 0.00 1.41 -1.72 0.00 0.00 179.24 179.24 3kx6 n HIS 218 N -4.50 0.11 -3.52 4.55 8.25 -0.03 -4.94 115.22 115.13 3kx6 n HIS 218 Ca 0.14 -0.05 -0.22 0.00 -0.26 0.00 0.00 57.72 57.33 3kx6 n HIS 218 Cb 0.41 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.59 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 0.19 -7.41 -2.64 -0.41 4.76 -0.32 -4.89 118.16 107.44 3kx6 n LYS 219 Ca 0.18 0.79 -0.42 0.00 -2.87 0.00 0.00 58.31 55.99 3kx6 n LYS 219 Cb 0.33 -5.71 -0.04 0.00 -1.84 0.00 0.00 35.03 27.77 3kx6 n LYS 219 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3kx6 s VAL 220 N -3.31 4.50 -0.56 -0.18 1.01 -0.21 -4.98 120.40 116.65 3kx6 s VAL 220 Ca 0.48 1.91 -0.28 0.00 0.00 0.00 0.00 61.98 64.08 3kx6 s VAL 220 Cb -0.21 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 31.98 3kx6 s VAL 220 CO 0.69 0.21 1.18 -0.22 0.00 0.00 0.00 175.10 176.97 3kx6 s LEU 221 N 0.56 3.49 0.38 3.92 2.96 -1.26 -4.74 118.68 123.98 3kx6 s LEU 221 Ca 0.51 0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.63 3kx6 s LEU 221 Cb -0.24 -3.22 0.76 0.00 0.50 0.00 0.00 46.19 43.99 3kx6 s LEU 221 CO 0.30 -1.44 2.03 -0.07 -1.32 0.00 0.00 176.35 175.84 3kx6 h LEU 222 N 11.81 0.57 -2.64 -0.68 3.38 -1.94 -1.14 115.31 124.67 3kx6 h LEU 222 Ca -0.25 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3kx6 h LEU 222 Cb 1.06 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 3kx6 h LEU 222 CO 1.18 0.43 0.03 -0.33 0.09 0.00 0.00 178.44 179.83 3kx6 h GLU 223 N 0.67 0.00 -0.52 1.13 3.07 -1.90 -2.06 114.58 114.98 3kx6 h GLU 223 Ca 0.18 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.71 3kx6 h GLU 223 Cb -0.06 0.00 -0.21 0.00 -0.84 0.00 0.00 28.75 27.64 3kx6 h GLU 223 CO -0.04 0.00 -0.19 0.41 -1.40 0.00 0.00 179.01 177.79 3kx6 n GLY 224 N -1.23 5.45 3.26 -3.84 0.00 -0.44 -4.23 105.19 104.17 3kx6 n GLY 224 Ca -0.03 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.42 0.97 0.04 4.61 0.00 -0.77 -4.06 121.76 119.14 3kx6 s ALA 225 Ca 0.48 -1.59 -0.00 0.00 0.00 0.00 0.00 51.96 50.86 3kx6 s ALA 225 Cb 0.42 1.34 -0.03 0.00 0.00 0.00 0.00 23.12 24.85 3kx6 s ALA 225 CO 0.00 -0.63 -0.04 -0.51 0.00 0.00 0.00 175.76 174.59 3kx6 s LEU 226 N -3.14 2.39 -0.03 0.00 1.43 -0.88 -4.14 118.68 114.30 3kx6 s LEU 226 Ca 0.37 -0.80 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 3kx6 s LEU 226 Cb 0.06 0.12 -0.03 0.00 0.03 0.00 0.00 46.19 46.36 3kx6 s LEU 226 CO 0.12 -0.46 -0.09 -0.22 0.23 0.00 0.00 176.35 175.93 3kx6 s LEU 227 N -2.35 3.06 -0.50 1.79 2.96 -0.93 -0.78 118.68 121.93 3kx6 s LEU 227 Ca -0.01 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 53.81 3kx6 s LEU 227 Cb 0.01 -1.70 0.15 0.00 0.50 0.00 0.00 46.19 45.14 3kx6 s LEU 227 CO -0.06 0.33 0.31 -0.75 -1.32 0.00 0.00 176.35 174.86 3kx6 s LYS 228 N -1.05 1.57 0.34 1.98 2.20 0.14 -0.87 119.74 124.04 3kx6 s LYS 228 Ca 0.14 -2.39 0.04 0.00 -0.36 0.00 0.00 55.97 53.40 3kx6 s LYS 228 Cb -0.11 -2.54 -0.02 0.00 -1.51 0.00 0.00 37.83 33.65 3kx6 s LYS 228 CO 0.04 -1.22 0.50 -1.25 -0.36 0.00 0.00 175.35 173.06 3kx6 s PRO 229 N -0.17 3.26 0.65 4.03 0.04 -1.26 -3.67 135.00 137.89 3kx6 s PRO 229 Ca 0.21 -0.71 -0.17 0.00 0.04 0.00 0.00 61.00 60.37 3kx6 s PRO 229 Cb -0.16 -2.75 -0.01 0.00 0.04 0.00 0.00 34.50 31.62 3kx6 s PRO 229 CO -0.07 0.10 1.25 0.54 0.04 0.00 0.00 177.00 178.86 3kx6 s ASN 230 N -4.11 4.67 0.83 6.66 2.20 -1.26 -2.32 114.94 121.61 3kx6 s ASN 230 Ca 0.42 2.48 -0.11 0.00 -0.94 0.00 0.00 52.86 54.71 3kx6 s ASN 230 Cb -0.09 -2.60 0.09 0.00 -2.00 0.00 0.00 41.25 36.64 3kx6 s ASN 230 CO 0.33 -1.95 1.09 -0.04 -2.94 0.00 0.00 177.10 173.59 3kx6 s MET 231 N -3.50 1.79 -0.34 3.55 -1.94 -1.26 -4.95 119.30 112.64 3kx6 s MET 231 Ca 0.79 0.85 -0.22 0.00 -1.71 0.00 0.00 55.69 55.40 3kx6 s MET 231 Cb -0.33 -1.87 0.00 0.00 2.01 0.00 0.00 34.83 34.64 3kx6 s MET 231 CO 0.39 -1.88 0.71 0.08 -0.01 0.00 0.00 175.02 174.31 3kx6 s VAL 232 N -2.99 4.83 0.14 -6.03 1.01 -1.26 -5.03 120.40 111.06 3kx6 s VAL 232 Ca 0.62 0.83 -0.06 0.00 0.00 0.00 0.00 61.98 63.38 3kx6 s VAL 232 Cb -0.17 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 3kx6 s VAL 232 CO 0.56 -0.31 0.18 0.42 0.00 0.00 0.00 175.10 175.94 3kx6 s THR 233 N 2.87 0.09 0.79 3.92 -4.23 -1.26 -4.63 115.64 113.18 3kx6 s THR 233 Ca 0.28 -1.59 -0.11 0.00 -1.18 0.00 0.00 61.69 59.09 3kx6 s THR 233 Cb -0.14 -1.87 0.06 0.00 1.34 0.00 0.00 72.50 71.89 3kx6 s THR 233 CO 0.15 -0.42 1.08 0.00 -0.54 0.00 0.00 174.62 174.89 3kx6 s GLN 234 N -3.99 2.18 0.69 3.99 0.00 -1.26 -4.38 119.66 116.88 3kx6 s GLN 234 Ca 0.18 0.91 -0.15 0.00 -0.00 0.00 0.00 55.36 56.30 3kx6 s GLN 234 Cb 0.05 -1.91 0.02 0.00 0.00 0.00 0.00 33.01 31.17 3kx6 s GLN 234 CO -0.01 -1.63 1.15 0.20 0.00 0.00 0.00 175.29 175.01 3kx6 s GLY 235 N -3.63 2.25 0.31 2.60 0.00 0.07 -4.88 107.32 104.04 3kx6 s GLY 235 Ca 0.61 0.70 0.03 0.00 0.00 0.00 0.00 44.72 46.06 3kx6 s GLY 235 CO 0.56 1.08 1.88 -2.08 0.00 0.00 0.00 173.10 174.53 3kx6 h VAL 236 N -0.08 0.95 -0.57 1.40 2.07 -0.29 -0.89 116.25 118.83 3kx6 h VAL 236 Ca -0.47 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.73 3kx6 h VAL 236 Cb 1.27 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3kx6 h VAL 236 CO 0.52 0.17 0.00 0.47 0.02 0.00 0.00 177.57 178.75 3kx6 n ASP 237 N -4.55 3.13 -4.74 0.57 8.00 0.10 -4.94 116.55 114.13 3kx6 n ASP 237 Ca 0.16 -2.02 -0.41 0.00 0.71 0.00 0.00 54.79 53.23 3kx6 n ASP 237 Cb 0.33 -0.39 -0.04 0.00 -0.02 0.00 0.00 41.12 41.00 3kx6 n ASP 237 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kx6 h LYS 239 N 5.37 0.00 -7.14 0.00 1.57 -1.88 -3.45 116.57 111.04 3kx6 h LYS 239 Ca -0.44 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.80 3kx6 h LYS 239 Cb 1.21 0.00 0.15 0.00 0.08 0.00 0.00 32.23 33.67 3kx6 h LYS 239 CO 0.75 0.37 0.45 -0.51 -0.57 0.00 0.00 179.45 179.93 3kx6 s ASP 240 N -6.36 4.50 -0.42 0.86 1.01 -1.26 -5.01 116.67 110.00 3kx6 s ASP 240 Ca 0.02 2.46 0.02 0.00 0.71 0.00 0.00 52.55 55.77 3kx6 s ASP 240 Cb 0.09 -2.60 0.15 0.00 1.01 0.00 0.00 42.92 41.57 3kx6 s ASP 240 CO 0.70 -2.06 0.29 -0.54 0.21 0.00 0.00 175.17 173.76 3kx6 s LYS 241 N -3.61 0.98 0.67 8.23 -0.14 -1.26 -5.02 119.74 119.59 3kx6 s LYS 241 Ca 0.78 -1.92 -0.16 0.00 -1.36 0.00 0.00 55.97 53.31 3kx6 s LYS 241 Cb -0.33 -1.72 0.01 0.00 -1.68 0.00 0.00 37.83 34.11 3kx6 s LYS 241 CO 0.41 -1.27 1.20 -1.25 -0.76 0.00 0.00 175.35 173.67 3kx6 s PRO 242 N 0.34 2.54 0.65 -1.68 0.04 -1.26 -4.99 135.00 130.65 3kx6 s PRO 242 Ca 0.24 1.74 -0.16 0.00 0.04 0.00 0.00 61.00 62.86 3kx6 s PRO 242 Cb -0.12 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 3kx6 s PRO 242 CO -0.09 -1.52 1.14 0.00 0.04 0.00 0.00 177.00 176.58 3kx6 s ALA 243 N -1.88 2.42 0.52 8.56 0.00 -1.26 -4.87 121.76 125.25 3kx6 s ALA 243 Ca 0.75 0.70 0.16 0.00 0.00 0.00 0.00 51.96 53.57 3kx6 s ALA 243 Cb -0.29 -3.37 1.26 0.00 0.00 0.00 0.00 23.12 20.73 3kx6 s ALA 243 CO 0.40 -1.34 2.14 -1.35 0.00 0.00 0.00 175.76 175.62 3kx6 h PRO 244 N 0.18 0.01 -0.55 0.00 0.11 -1.99 -0.93 132.00 128.84 3kx6 h PRO 244 Ca -0.48 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.67 3kx6 h PRO 244 Cb 1.26 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 3kx6 h PRO 244 CO 0.53 0.01 0.37 1.96 -0.21 0.00 0.00 178.00 180.66 3kx6 h GLN 245 N 0.01 0.61 -0.04 1.05 7.50 -1.95 -0.98 115.11 121.31 3kx6 h GLN 245 Ca 0.01 -0.04 -0.25 0.00 0.50 0.00 0.00 58.65 58.87 3kx6 h GLN 245 Cb 0.03 -0.14 0.02 0.00 0.05 0.00 0.00 27.48 27.44 3kx6 h GLN 245 CO -0.00 0.40 -0.97 1.15 -1.50 0.00 0.00 178.83 177.91 3kx6 h THR 246 N 0.63 1.28 -0.45 -0.54 2.02 -1.53 -0.75 112.91 113.58 3kx6 h THR 246 Ca 0.22 -2.17 0.03 0.00 0.77 0.00 0.00 66.41 65.26 3kx6 h THR 246 Cb 0.10 2.29 -0.04 0.00 -1.74 0.00 0.00 68.15 68.76 3kx6 h THR 246 CO -0.06 0.68 0.24 0.58 0.37 0.00 0.00 175.52 177.32 3kx6 h VAL 247 N 0.42 0.99 -0.14 3.16 2.07 -1.26 0.05 116.25 121.54 3kx6 h VAL 247 Ca -0.11 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.28 3kx6 h VAL 247 Cb 1.62 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 3kx6 h VAL 247 CO 0.19 0.09 -0.06 1.23 0.02 0.00 0.00 177.57 179.04 3kx6 h GLY 248 N 0.47 0.07 0.84 2.17 0.00 -1.05 -1.56 103.07 104.01 3kx6 h GLY 248 Ca 0.19 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 3kx6 h GLY 248 CO -0.12 -0.08 0.02 -2.75 0.00 0.00 0.00 176.54 173.61 3kx6 h PHE 249 N -0.05 0.08 -0.17 5.60 3.57 -0.77 -1.92 116.94 123.29 3kx6 h PHE 249 Ca 0.08 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 3kx6 h PHE 249 Cb 0.16 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3kx6 h PHE 249 CO -0.20 0.22 -0.44 -0.07 -2.23 0.00 0.00 178.31 175.59 3kx6 h LEU 250 N -0.09 0.45 -0.08 0.59 3.38 -0.95 -0.25 115.31 118.37 3kx6 h LEU 250 Ca 0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3kx6 h LEU 250 Cb 0.18 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3kx6 h LEU 250 CO -0.00 0.83 0.02 0.74 0.09 0.00 0.00 178.44 180.12 3kx6 h THR 251 N 0.34 1.17 -0.46 0.22 2.02 -1.32 -1.01 112.91 113.88 3kx6 h THR 251 Ca 0.03 -0.52 0.04 0.00 0.77 0.00 0.00 66.41 66.72 3kx6 h THR 251 Cb 0.91 1.38 -0.04 0.00 -1.74 0.00 0.00 68.15 68.66 3kx6 h THR 251 CO 0.08 0.15 0.23 -1.28 0.37 0.00 0.00 175.52 175.06 3kx6 h SER 252 N -0.07 0.32 -0.38 4.18 0.87 -1.18 -2.42 113.55 114.88 3kx6 h SER 252 Ca 0.02 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3kx6 h SER 252 Cb 0.22 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 3kx6 h SER 252 CO -0.00 0.23 0.22 -0.09 -0.53 0.00 0.00 176.83 176.66 3kx6 h ARG 253 N 0.45 0.53 -0.84 2.24 2.43 -0.99 0.49 114.38 118.70 3kx6 h ARG 253 Ca 0.20 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 3kx6 h ARG 253 Cb 0.12 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 3kx6 h ARG 253 CO -0.15 0.41 0.54 0.00 -1.51 0.00 0.00 179.97 179.27 3kx6 h ALA 254 N 1.08 1.10 -0.20 2.80 0.00 -0.87 -0.85 119.26 122.33 3kx6 h ALA 254 Ca 0.14 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 3kx6 h ALA 254 Cb 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3kx6 h ALA 254 CO -0.02 0.38 -0.50 -0.07 0.00 0.00 0.00 179.25 179.03 3kx6 h LEU 255 N 1.05 0.78 -1.65 0.00 3.38 -1.20 -3.13 115.31 114.54 3kx6 h LEU 255 Ca 0.33 -0.57 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 3kx6 h LEU 255 Cb -0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3kx6 h LEU 255 CO -0.11 1.21 -0.20 0.03 0.09 0.00 0.00 178.44 179.47 3kx6 h ARG 256 N 0.39 0.00 0.00 1.13 3.08 -0.52 0.12 114.38 118.57 3kx6 h ARG 256 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3kx6 h ARG 256 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 3kx6 h ARG 256 CO 0.11 0.20 -0.05 0.54 -1.07 0.00 0.00 179.97 179.69 3kx6 n ARG 257 N -3.86 0.09 0.00 0.04 1.74 -0.36 -4.51 116.66 109.80 3kx6 n ARG 257 Ca -0.02 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 3kx6 n ARG 257 Cb 0.29 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 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 -1.74 0.00 -3.60 0.55 -2.24 -0.83 -5.04 114.28 101.37 3kx6 n THR 258 Ca 0.06 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.44 3kx6 n THR 258 Cb 0.37 -0.06 -0.11 0.00 -2.10 0.00 0.00 70.33 68.43 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 -0.83 4.69 0.58 2.28 1.01 0.35 -4.83 120.40 123.66 3kx6 s VAL 259 Ca 0.00 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.11 3kx6 s VAL 259 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 3kx6 s VAL 259 CO 0.00 -0.13 1.28 -2.65 0.00 0.00 0.00 175.10 173.59 3kx6 n PRO 260 N 5.01 1.41 0.14 2.72 -0.02 -1.26 -4.86 135.00 138.14 3kx6 n PRO 260 Ca -0.12 0.53 0.11 0.00 -2.02 0.00 0.00 63.50 62.00 3kx6 n PRO 260 Cb 0.47 -2.49 0.51 0.00 -0.02 0.00 0.00 33.50 31.97 3kx6 n PRO 260 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3kx6 n PRO 261 N -1.25 0.18 0.28 0.52 -0.04 -1.26 -2.53 135.00 130.90 3kx6 n PRO 261 Ca 0.12 0.48 0.12 0.00 -0.04 0.00 0.00 63.50 64.19 3kx6 n PRO 261 Cb 0.46 -1.89 0.78 0.00 -0.04 0.00 0.00 33.50 32.81 3kx6 n PRO 261 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kx6 h ALA 262 N 2.20 1.58 -2.42 0.55 0.00 -1.91 -3.42 119.26 115.83 3kx6 h ALA 262 Ca 0.00 -0.04 -0.54 0.00 0.00 0.00 0.00 54.91 54.33 3kx6 h ALA 262 Cb 0.26 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.05 3kx6 h ALA 262 CO 0.00 0.06 0.84 -1.17 0.00 0.00 0.00 179.25 178.98 3kx6 s LEU 263 N -7.95 4.34 0.38 0.00 2.96 -1.05 -3.48 118.68 113.87 3kx6 s LEU 263 Ca -0.04 2.22 0.21 0.00 -0.22 0.00 0.00 54.13 56.30 3kx6 s LEU 263 Cb 0.15 -3.57 0.25 0.00 0.50 0.00 0.00 46.19 43.52 3kx6 s LEU 263 CO 0.59 -0.73 1.51 1.55 -1.32 0.00 0.00 176.35 177.95 3kx6 h PRO 264 N 7.70 0.00 -1.99 0.98 0.13 -1.74 -3.41 132.00 133.66 3kx6 h PRO 264 Ca -0.40 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.69 3kx6 h PRO 264 Cb 1.19 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.12 3kx6 h PRO 264 CO 0.90 0.11 0.17 0.20 -0.23 0.00 0.00 178.00 179.14 3kx6 s GLY 265 N -4.29 -0.55 -0.24 1.56 0.00 -1.26 -1.46 107.32 101.08 3kx6 s GLY 265 Ca 0.06 1.71 -0.00 0.00 0.00 0.00 0.00 44.72 46.48 3kx6 s GLY 265 CO 0.70 1.38 -0.09 0.14 0.00 0.00 0.00 173.10 175.23 3kx6 s VAL 266 N -0.37 2.64 -0.38 1.40 1.01 0.22 -2.18 120.40 122.74 3kx6 s VAL 266 Ca -0.05 -1.15 -0.01 0.00 0.00 0.00 0.00 61.98 60.77 3kx6 s VAL 266 Cb -0.03 -2.36 0.10 0.00 0.00 0.00 0.00 36.38 34.10 3kx6 s VAL 266 CO 0.05 0.19 0.14 -0.04 0.00 0.00 0.00 175.10 175.44 3kx6 s MET 267 N 1.27 1.93 0.47 2.72 -1.94 -0.05 -0.32 119.30 123.38 3kx6 s MET 267 Ca -0.01 -1.76 -0.22 0.00 -1.71 0.00 0.00 55.69 51.98 3kx6 s MET 267 Cb -0.17 -3.44 -0.07 0.00 2.01 0.00 0.00 34.83 33.16 3kx6 s MET 267 CO -0.06 -0.98 1.16 -0.06 -0.01 0.00 0.00 175.02 175.07 3kx6 s PHE 268 N 1.10 2.84 0.39 -0.03 0.08 -0.36 -4.14 117.98 117.86 3kx6 s PHE 268 Ca 0.07 1.54 -0.11 0.00 0.12 0.00 0.00 56.93 58.55 3kx6 s PHE 268 Cb -0.21 -3.37 -0.07 0.00 -0.57 0.00 0.00 43.02 38.80 3kx6 s PHE 268 CO -0.05 -1.52 0.75 -0.48 -0.10 0.00 0.00 175.22 173.82 3kx6 s LEU 269 N -3.16 3.87 -0.01 -0.37 0.05 -0.98 -1.04 118.68 117.04 3kx6 s LEU 269 Ca 0.65 1.13 0.17 0.00 0.05 0.00 0.00 54.13 56.13 3kx6 s LEU 269 Cb -0.28 -4.00 -0.21 0.00 -2.05 0.00 0.00 46.19 39.66 3kx6 s LEU 269 CO 0.33 -0.37 0.60 -1.54 -0.55 0.00 0.00 176.35 174.82 3kx6 n SER 270 N -1.17 0.88 0.00 1.48 3.41 -1.26 -4.34 113.62 112.61 3kx6 n SER 270 Ca 0.02 -0.60 0.00 0.00 -0.26 0.00 0.00 58.87 58.03 3kx6 n SER 270 Cb 0.54 1.26 0.00 0.00 -0.26 0.00 0.00 64.21 65.75 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 1.44 3.11 1.01 5.00 0.00 -1.26 -1.99 105.19 112.50 3kx6 n GLY 271 Ca 0.01 -0.23 0.07 0.00 0.00 0.00 0.00 46.02 45.87 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 1.54 3.76 -0.02 0.00 -1.26 -4.97 105.19 104.24 3kx6 n GLY 272 Ca 0.00 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.49 3.53 0.79 1.61 -0.21 -0.84 -5.00 119.66 118.06 3kx6 s GLN 273 Ca 0.34 2.07 -0.12 0.00 0.02 0.00 0.00 55.36 57.67 3kx6 s GLN 273 Cb 0.19 -2.42 0.07 0.00 1.00 0.00 0.00 33.01 31.86 3kx6 s GLN 273 CO 0.20 -0.83 1.13 -1.54 -2.12 0.00 0.00 175.29 172.14 3kx6 s SER 274 N -1.03 4.04 0.27 5.90 1.04 -1.26 -4.74 113.70 117.92 3kx6 s SER 274 Ca 0.66 2.06 -0.04 0.00 0.48 0.00 0.00 55.95 59.11 3kx6 s SER 274 Cb -0.36 -2.55 0.56 0.00 0.10 0.00 0.00 66.02 63.77 3kx6 s SER 274 CO 0.44 -2.35 1.61 -0.33 0.98 0.00 0.00 173.24 173.58 3kx6 h GLU 275 N -1.04 0.07 -0.22 4.02 5.08 -1.90 -0.82 114.58 119.76 3kx6 h GLU 275 Ca -0.45 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.80 3kx6 h GLU 275 Cb 1.26 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 3kx6 h GLU 275 CO 0.48 0.05 -0.29 0.77 -1.00 0.00 0.00 179.01 179.02 3kx6 h SER 276 N 0.07 0.64 -0.21 1.42 0.02 -1.91 -3.02 113.55 110.56 3kx6 h SER 276 Ca 0.49 -0.50 -0.11 0.00 -0.84 0.00 0.00 61.79 60.83 3kx6 h SER 276 Cb 0.92 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 3kx6 h SER 276 CO -0.78 1.02 -0.22 0.24 -1.14 0.00 0.00 176.83 175.95 3kx6 h MET 277 N 0.28 0.67 -0.90 3.45 2.86 -1.76 -1.28 114.93 118.26 3kx6 h MET 277 Ca 0.03 -0.26 0.03 0.00 -2.06 0.00 0.00 59.70 57.44 3kx6 h MET 277 Cb 0.87 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.44 3kx6 h MET 277 CO 0.07 0.84 0.59 0.00 1.06 0.00 0.00 176.91 179.47 3kx6 h ALA 278 N 1.17 1.43 -0.02 6.32 0.00 -1.19 0.97 119.26 127.93 3kx6 h ALA 278 Ca 0.09 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3kx6 h ALA 278 Cb 0.70 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kx6 h ALA 278 CO 0.05 0.48 -0.49 1.15 0.00 0.00 0.00 179.25 180.44 3kx6 h THR 279 N 1.13 1.44 -0.42 0.00 2.02 -1.35 -2.68 112.91 113.05 3kx6 h THR 279 Ca 0.35 -1.99 -0.05 0.00 0.77 0.00 0.00 66.41 65.50 3kx6 h THR 279 Cb 0.01 2.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 3kx6 h THR 279 CO -0.11 0.57 0.08 -0.09 0.37 0.00 0.00 175.52 176.35 3kx6 h ARG 280 N -0.16 0.69 -0.59 6.66 2.43 -0.99 -0.87 114.38 121.55 3kx6 h ARG 280 Ca -0.06 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 3kx6 h ARG 280 Cb 1.20 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.63 3kx6 h ARG 280 CO 0.10 0.71 0.37 0.45 -1.51 0.00 0.00 179.97 180.09 3kx6 h HIS 281 N 0.55 0.76 -0.29 2.20 3.86 -0.91 -1.69 115.15 119.63 3kx6 h HIS 281 Ca 0.13 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.37 3kx6 h HIS 281 Cb 0.35 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.54 3kx6 h HIS 281 CO 0.02 0.51 0.12 1.25 0.86 0.00 0.00 177.93 180.69 3kx6 h LEU 282 N 0.80 0.17 -0.37 2.43 5.85 -1.10 -1.20 115.31 121.89 3kx6 h LEU 282 Ca 0.21 0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.03 3kx6 h LEU 282 Cb -0.05 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 40.90 3kx6 h LEU 282 CO -0.04 0.13 -0.08 -1.13 -0.34 0.00 0.00 178.44 176.98 3kx6 h ASN 283 N 0.27 -0.33 -0.60 1.25 -1.24 -0.94 -2.08 115.58 111.91 3kx6 h ASN 283 Ca 0.12 0.11 -0.03 0.00 0.71 0.00 0.00 56.30 57.21 3kx6 h ASN 283 Cb 0.06 0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.30 3kx6 h ASN 283 CO -0.10 -0.11 0.26 -0.33 -1.29 0.00 0.00 177.43 175.85 3kx6 h GLU 284 N 0.01 0.91 -0.15 6.67 4.39 -0.94 0.13 114.58 125.60 3kx6 h GLU 284 Ca 0.18 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.74 3kx6 h GLU 284 Cb 0.27 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 3kx6 h GLU 284 CO -0.37 0.74 0.10 0.82 -1.16 0.00 0.00 179.01 179.13 3kx6 h ILE 285 N 0.90 1.05 -0.07 3.13 2.04 -0.89 -2.67 117.51 121.01 3kx6 h ILE 285 Ca 0.21 -0.11 -0.11 0.00 1.00 0.00 0.00 64.86 65.86 3kx6 h ILE 285 Cb 0.16 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3kx6 h ILE 285 CO -0.02 0.05 -0.46 0.78 0.00 0.00 0.00 178.15 178.49 3kx6 h ASN 286 N 0.19 0.17 0.68 1.72 2.35 -0.94 -3.18 115.58 116.56 3kx6 h ASN 286 Ca 0.05 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 3kx6 h ASN 286 Cb -0.00 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3kx6 h ASN 286 CO -0.01 0.61 -0.28 0.11 -1.65 0.00 0.00 177.43 176.21 3kx6 h LYS 287 N 0.13 0.00 0.00 0.81 1.57 -0.47 -3.32 116.57 115.29 3kx6 h LYS 287 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3kx6 h LYS 287 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3kx6 h LYS 287 CO 0.07 0.28 -0.21 0.00 -0.57 0.00 0.00 179.45 179.02 3kx6 s ASN 289 N -3.34 -0.20 0.22 0.00 3.84 -1.25 -5.07 114.94 109.14 3kx6 s ASN 289 Ca 0.12 -0.26 -0.19 0.00 0.21 0.00 0.00 52.86 52.73 3kx6 s ASN 289 Cb 0.17 0.41 -0.08 0.00 -0.55 0.00 0.00 41.25 41.20 3kx6 s ASN 289 CO 0.61 -0.74 0.72 -1.59 -2.79 0.00 0.00 177.10 173.31 3kx6 s LYS 290 N -3.11 4.23 0.02 0.43 -2.85 -1.26 -4.89 119.74 112.31 3kx6 s LYS 290 Ca 0.11 0.85 0.02 0.00 -1.00 0.00 0.00 55.97 55.95 3kx6 s LYS 290 Cb -0.01 -2.86 -0.02 0.00 -2.06 0.00 0.00 37.83 32.89 3kx6 s LYS 290 CO -0.01 0.39 -0.07 -1.01 0.10 0.00 0.00 175.35 174.74 3kx6 s HIS 291 N -1.54 0.64 -1.63 1.78 3.76 -1.26 -5.06 115.29 111.98 3kx6 s HIS 291 Ca 0.43 -0.32 0.29 0.00 -0.15 0.00 0.00 55.06 55.31 3kx6 s HIS 291 Cb -0.16 -0.39 1.33 0.00 1.11 0.00 0.00 32.58 34.46 3kx6 s HIS 291 CO 0.21 -0.04 1.92 -0.35 -0.85 0.00 0.00 174.74 175.62 3kx6 n PRO 292 N 2.09 0.66 -4.35 8.40 -0.04 -1.26 -4.81 135.00 135.69 3kx6 n PRO 292 Ca -0.18 -0.18 -0.21 0.00 -0.04 0.00 0.00 63.50 62.89 3kx6 n PRO 292 Cb 0.56 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.46 1.83 0.42 0.54 0.51 -1.26 -4.93 118.94 113.57 3kx6 s TRP 293 Ca 0.30 -0.49 -0.26 0.00 -2.12 0.00 0.00 56.10 53.53 3kx6 s TRP 293 Cb 0.20 -0.88 -0.09 0.00 -0.81 0.00 0.00 33.47 31.89 3kx6 s TRP 293 CO 0.46 0.38 1.42 -1.12 -0.51 0.00 0.00 176.95 177.58 3kx6 s SER 294 N -2.96 6.12 -0.31 2.95 0.01 -0.54 -4.86 113.70 114.11 3kx6 s SER 294 Ca 0.19 2.90 0.02 0.00 1.31 0.00 0.00 55.95 60.38 3kx6 s SER 294 Cb -0.04 -2.66 0.08 0.00 0.21 0.00 0.00 66.02 63.61 3kx6 s SER 294 CO 0.07 -1.01 0.00 -0.76 0.41 0.00 0.00 173.24 171.95 3kx6 s LEU 295 N -2.46 4.22 0.00 2.44 1.43 -1.26 -0.61 118.68 122.44 3kx6 s LEU 295 Ca 0.57 -1.75 0.00 0.00 -1.03 0.00 0.00 54.13 51.93 3kx6 s LEU 295 Cb -0.43 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.15 3kx6 s LEU 295 CO 0.57 -0.31 0.00 -0.24 0.23 0.00 0.00 176.35 176.60 3kx6 n SER 296 N 4.40 0.04 -4.27 2.29 2.88 0.56 -4.51 113.62 115.02 3kx6 n SER 296 Ca -0.06 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.27 3kx6 n SER 296 Cb 0.42 0.00 -0.12 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 0.07 1.64 -0.39 0.66 -0.12 -1.26 -1.22 117.98 117.35 3kx6 s PHE 297 Ca 0.00 -0.45 0.02 0.00 -0.05 0.00 0.00 56.93 56.45 3kx6 s PHE 297 Cb 0.00 -0.88 0.16 0.00 -0.63 0.00 0.00 43.02 41.66 3kx6 s PHE 297 CO 0.00 0.19 0.28 0.45 -0.05 0.00 0.00 175.22 176.09 3kx6 s SER 298 N -2.06 2.29 -0.05 1.98 0.15 -0.20 -0.44 113.70 115.37 3kx6 s SER 298 Ca 0.06 -2.67 0.04 0.00 0.70 0.00 0.00 55.95 54.08 3kx6 s SER 298 Cb -0.09 -0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 63.72 3kx6 s SER 298 CO 0.04 -0.23 -0.14 -0.31 1.20 0.00 0.00 173.24 173.80 3kx6 s TYR 299 N 0.49 2.71 0.00 3.44 2.02 -0.86 -4.42 117.35 120.73 3kx6 s TYR 299 Ca 0.25 -0.15 0.00 0.00 -0.37 0.00 0.00 57.07 56.80 3kx6 s TYR 299 Cb -0.10 -1.63 0.00 0.00 -0.40 0.00 0.00 41.96 39.84 3kx6 s TYR 299 CO -0.10 0.20 0.00 0.41 -1.57 0.00 0.00 175.55 174.49 3kx6 n GLY 300 N 2.26 0.02 0.31 0.71 0.00 -1.26 -0.84 105.19 106.39 3kx6 n GLY 300 Ca -0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.92 3kx6 n GLY 300 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kx6 h ARG 301 N 0.00 0.38 0.00 1.61 0.11 -1.96 -0.45 114.38 114.07 3kx6 h ARG 301 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 3kx6 h ARG 301 Cb 0.00 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 30.99 3kx6 h ARG 301 CO 0.00 0.25 0.00 0.00 0.10 0.00 0.00 179.97 180.32 3kx6 n ALA 302 N -2.50 1.95 0.18 0.08 0.00 -1.26 -1.23 120.51 117.72 3kx6 n ALA 302 Ca 0.03 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3kx6 n ALA 302 Cb 0.14 -1.36 -0.10 0.00 0.00 0.00 0.00 19.45 18.13 3kx6 n ALA 302 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kx6 n LEU 303 N -1.74 0.19 -0.00 0.00 4.77 -0.59 -4.68 117.00 114.95 3kx6 n LEU 303 Ca 0.05 -0.14 0.02 0.00 -0.03 0.00 0.00 56.01 55.90 3kx6 n LEU 303 Cb 0.27 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 3kx6 n LEU 303 CO 0.21 0.05 -0.56 0.00 -1.33 0.00 0.00 177.39 175.76 3kx6 n GLN 304 N -1.80 0.32 0.09 3.23 6.02 -0.28 -4.62 117.38 120.33 3kx6 n GLN 304 Ca -0.01 -0.04 -0.13 0.00 -0.01 0.00 0.00 57.00 56.82 3kx6 n GLN 304 Cb 0.33 -1.10 -0.06 0.00 1.02 0.00 0.00 30.24 30.43 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 -0.97 0.50 1.08 0.02 -1.41 0.47 113.55 113.24 3kx6 h SER 305 Ca -0.01 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3kx6 h SER 305 Cb 0.26 0.38 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 3kx6 h SER 305 CO 0.00 -0.40 -0.11 0.28 -1.14 0.00 0.00 176.83 175.45 3kx6 h SER 306 N -0.52 0.00 0.01 3.07 0.02 -1.87 -2.24 113.55 112.02 3kx6 h SER 306 Ca 0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3kx6 h SER 306 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 3kx6 h SER 306 CO -0.23 0.11 -0.00 0.58 -1.14 0.00 0.00 176.83 176.15 3kx6 h VAL 307 N 0.00 1.46 -0.28 2.27 2.07 -1.48 -1.86 116.25 118.43 3kx6 h VAL 307 Ca -0.00 -1.40 0.01 0.00 0.82 0.00 0.00 66.70 66.13 3kx6 h VAL 307 Cb 0.39 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 3kx6 h VAL 307 CO 0.01 0.36 0.18 0.25 0.02 0.00 0.00 177.57 178.39 3kx6 h LEU 308 N -0.61 0.30 -1.29 2.57 6.46 -0.87 -0.93 115.31 120.94 3kx6 h LEU 308 Ca -0.00 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 3kx6 h LEU 308 Cb 0.60 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 3kx6 h LEU 308 CO 0.00 0.22 0.38 0.11 -0.62 0.00 0.00 178.44 178.53 3kx6 h LYS 309 N 0.36 0.86 -0.26 1.25 1.57 -1.46 0.38 116.57 119.28 3kx6 h LYS 309 Ca 0.11 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 3kx6 h LYS 309 Cb -0.02 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.10 3kx6 h LYS 309 CO -0.04 0.61 -0.23 1.15 -0.57 0.00 0.00 179.45 180.37 3kx6 h THR 310 N 0.88 1.31 0.02 -0.16 2.02 -0.85 -3.21 112.91 112.91 3kx6 h THR 310 Ca 0.23 -1.38 -0.00 0.00 0.77 0.00 0.00 66.41 66.03 3kx6 h THR 310 Cb -0.03 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3kx6 h THR 310 CO -0.04 0.43 -0.01 -0.25 0.37 0.00 0.00 175.52 176.02 3kx6 h TRP 311 N 0.33 -0.02 -3.86 3.16 7.01 -0.88 -3.45 115.95 118.24 3kx6 h TRP 311 Ca 0.04 -0.00 -0.35 0.00 2.11 0.00 0.00 58.89 60.69 3kx6 h TRP 311 Cb 0.78 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.84 3kx6 h TRP 311 CO 0.07 0.02 -0.47 -1.71 -2.79 0.00 0.00 178.44 173.56 3kx6 n ASN 312 N -5.08 -4.99 -0.05 2.65 5.15 0.10 -1.96 115.26 111.07 3kx6 n ASN 312 Ca -0.07 -0.03 -0.01 0.00 -0.60 0.00 0.00 54.58 53.87 3kx6 n ASN 312 Cb 0.05 -4.15 -0.00 0.00 -0.53 0.00 0.00 39.78 35.15 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 -1.05 0.48 2.81 8.20 0.00 -1.26 -4.91 105.19 109.45 3kx6 n GLY 313 Ca -0.16 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.29 3kx6 n GLY 313 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kx6 s SER 314 N -2.42 0.05 0.52 1.61 1.04 -0.83 -5.02 113.70 108.65 3kx6 s SER 314 Ca 0.00 0.02 0.35 0.00 0.48 0.00 0.00 55.95 56.80 3kx6 s SER 314 Cb 0.00 -0.05 1.65 0.00 0.10 0.00 0.00 66.02 67.72 3kx6 s SER 314 CO 0.00 -0.08 2.04 0.24 0.98 0.00 0.00 173.24 176.42 3kx6 h MET 315 N 6.84 0.00 -0.83 4.02 2.86 -1.96 -0.35 114.93 125.50 3kx6 h MET 315 Ca -0.37 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.39 3kx6 h MET 315 Cb 1.16 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.76 3kx6 h MET 315 CO 0.49 0.00 0.54 0.77 1.06 0.00 0.00 176.91 179.77 3kx6 h SER 316 N 0.00 0.61 -0.36 1.22 0.02 -1.95 -2.47 113.55 110.62 3kx6 h SER 316 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3kx6 h SER 316 Cb 0.26 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3kx6 h SER 316 CO 0.00 0.34 0.00 0.59 -1.14 0.00 0.00 176.83 176.62 3kx6 n ASN 317 N -4.52 2.84 -0.09 3.07 3.02 -0.14 -4.54 115.26 114.89 3kx6 n ASN 317 Ca 0.15 -1.91 -0.09 0.00 -0.03 0.00 0.00 54.58 52.70 3kx6 n ASN 317 Cb 0.42 -0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 39.34 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 4.28 0.39 -0.77 5.41 0.00 -1.47 0.40 119.26 127.50 3kx6 h ALA 318 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3kx6 h ALA 318 Cb 0.79 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3kx6 h ALA 318 CO 0.00 -0.12 0.35 0.00 0.00 0.00 0.00 179.25 179.47 3kx6 h ALA 319 N 1.09 1.00 -0.41 0.00 0.00 -1.80 0.02 119.26 119.17 3kx6 h ALA 319 Ca 0.11 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kx6 h ALA 319 Cb -0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3kx6 h ALA 319 CO -0.02 0.59 0.24 0.00 0.00 0.00 0.00 179.25 180.06 3kx6 h ALA 320 N 1.18 0.52 -0.62 0.00 0.00 -1.78 -1.55 119.26 117.01 3kx6 h ALA 320 Ca 0.26 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3kx6 h ALA 320 Cb 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3kx6 h ALA 320 CO -0.03 0.02 0.36 0.00 0.00 0.00 0.00 179.25 179.61 3kx6 h ALA 321 N 1.10 0.81 -0.72 0.00 0.00 -0.31 -1.69 119.26 118.45 3kx6 h ALA 321 Ca 0.15 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3kx6 h ALA 321 Cb 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3kx6 h ALA 321 CO -0.03 0.08 0.40 1.96 0.00 0.00 0.00 179.25 181.67 3kx6 h GLN 322 N 0.70 0.98 -0.75 0.00 4.20 -0.76 -1.07 115.11 118.42 3kx6 h GLN 322 Ca 0.26 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 3kx6 h GLN 322 Cb 0.08 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 3kx6 h GLN 322 CO -0.13 0.71 0.38 -0.44 -0.67 0.00 0.00 178.83 178.69 3kx6 h ASP 323 N 1.00 0.96 -0.42 1.46 3.32 -0.55 -1.14 116.42 121.04 3kx6 h ASP 323 Ca 0.25 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.10 3kx6 h ASP 323 Cb 0.01 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3kx6 h ASP 323 CO -0.04 0.80 -0.08 0.58 -1.72 0.00 0.00 179.24 178.78 3kx6 h VAL 324 N 1.04 1.27 -0.66 -1.35 2.07 -0.76 -2.01 116.25 115.86 3kx6 h VAL 324 Ca 0.26 -1.17 0.04 0.00 0.82 0.00 0.00 66.70 66.65 3kx6 h VAL 324 Cb 0.08 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 3kx6 h VAL 324 CO -0.04 0.40 0.39 0.25 0.02 0.00 0.00 177.57 178.59 3kx6 h LEU 325 N 0.62 0.63 -1.02 2.57 5.85 -1.01 -1.52 115.31 121.43 3kx6 h LEU 325 Ca 0.11 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 3kx6 h LEU 325 Cb 0.61 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 3kx6 h LEU 325 CO 0.04 0.43 0.24 0.24 -0.34 0.00 0.00 178.44 179.05 3kx6 h MET 326 N 0.76 0.95 -0.27 1.25 2.86 -1.03 0.15 114.93 119.60 3kx6 h MET 326 Ca 0.27 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 3kx6 h MET 326 Cb 0.07 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 3kx6 h MET 326 CO -0.13 0.78 0.06 -0.22 1.06 0.00 0.00 176.91 178.46 3kx6 h LYS 327 N 0.93 0.44 -0.33 1.72 3.64 -0.93 0.40 116.57 122.44 3kx6 h LYS 327 Ca 0.22 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.35 3kx6 h LYS 327 Cb 0.20 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3kx6 h LYS 327 CO -0.02 0.54 -0.34 -0.07 -2.27 0.00 0.00 179.45 177.29 3kx6 h LEU 328 N 0.26 0.86 -0.81 5.20 3.38 -1.00 -1.69 115.31 121.51 3kx6 h LEU 328 Ca 0.08 -0.47 0.03 0.00 0.09 0.00 0.00 57.88 57.61 3kx6 h LEU 328 Cb 0.30 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3kx6 h LEU 328 CO 0.00 1.16 0.52 0.00 0.09 0.00 0.00 178.44 180.22 3kx6 h ALA 329 N 0.73 1.06 -0.31 1.53 0.00 -0.66 -2.06 119.26 119.54 3kx6 h ALA 329 Ca 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3kx6 h ALA 329 Cb 0.92 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3kx6 h ALA 329 CO 0.08 0.37 -0.01 0.37 0.00 0.00 0.00 179.25 180.06 3kx6 h GLN 330 N 1.04 0.56 -0.29 0.00 4.15 -0.73 -0.38 115.11 119.46 3kx6 h GLN 330 Ca 0.32 -0.18 -0.09 0.00 0.77 0.00 0.00 58.65 59.46 3kx6 h GLN 330 Cb -0.03 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 3kx6 h GLN 330 CO -0.10 0.70 -0.21 -0.56 -1.93 0.00 0.00 178.83 176.73 3kx6 h GLN 331 N 0.35 0.53 -0.09 1.69 3.07 -1.18 -1.05 115.11 118.43 3kx6 h GLN 331 Ca 0.09 -0.19 -0.16 0.00 0.09 0.00 0.00 58.65 58.48 3kx6 h GLN 331 Cb 0.45 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.97 3kx6 h GLN 331 CO 0.02 0.71 -0.65 -0.91 0.09 0.00 0.00 178.83 178.09 3kx6 h ASN 332 N 0.47 0.40 -0.23 0.06 2.35 -1.31 -0.02 115.58 117.31 3kx6 h ASN 332 Ca 0.08 -0.24 0.04 0.00 -0.55 0.00 0.00 56.30 55.62 3kx6 h ASN 332 Cb 0.62 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.84 3kx6 h ASN 332 CO 0.04 0.94 -0.01 -1.28 -1.65 0.00 0.00 177.43 175.47 3kx6 h SER 333 N 0.25 -0.11 -0.73 5.81 0.87 -0.73 -0.88 113.55 118.03 3kx6 h SER 333 Ca -0.01 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 3kx6 h SER 333 Cb 1.18 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.21 3kx6 h SER 333 CO 0.11 -0.03 0.37 -0.33 -0.53 0.00 0.00 176.83 176.43 3kx6 h GLU 334 N 0.06 1.03 -0.54 2.24 5.08 -1.09 -2.41 114.58 118.94 3kx6 h GLU 334 Ca 0.11 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3kx6 h GLU 334 Cb 0.14 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3kx6 h GLU 334 CO -0.19 0.79 0.32 0.00 -1.00 0.00 0.00 179.01 178.93 3kx6 h ALA 335 N 1.19 1.54 0.00 3.43 0.00 -0.80 0.20 119.26 124.82 3kx6 h ALA 335 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3kx6 h ALA 335 Cb 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3kx6 h ALA 335 CO -0.04 0.40 0.00 -1.13 0.00 0.00 0.00 179.25 178.48 3kx6 n SER 336 N -4.42 0.48 -0.37 0.00 3.41 -0.35 -1.69 113.62 110.67 3kx6 n SER 336 Ca 0.05 0.63 0.03 0.00 -0.26 0.00 0.00 58.87 59.32 3kx6 n SER 336 Cb 0.08 -0.72 0.09 0.00 -0.26 0.00 0.00 64.21 63.39 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 -2.04 2.54 -2.36 1.04 4.77 -0.92 -4.62 117.00 115.41 3kx6 n LEU 337 Ca 0.02 -2.00 -0.18 0.00 -0.03 0.00 0.00 56.01 53.82 3kx6 n LEU 337 Cb 0.20 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.17 3kx6 n LEU 337 CO 0.17 0.63 -0.08 0.61 -1.33 0.00 0.00 177.39 177.39 3kx6 n GLY 338 N 0.09 -0.34 0.94 -0.72 0.00 -0.68 -4.93 105.19 99.55 3kx6 n GLY 338 Ca 0.07 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.65 1.38 -4.74 1.61 7.64 0.66 -4.75 113.62 113.76 3kx6 n SER 339 Ca -0.14 -3.01 -0.42 0.00 1.01 0.00 0.00 58.87 56.32 3kx6 n SER 339 Cb 0.62 -0.42 -0.02 0.00 -1.01 0.00 0.00 64.21 63.39 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 -0.43 4.31 -3.47 -3.43 7.94 -1.22 -4.78 117.00 115.92 3kx6 n LEU 340 Ca 0.13 1.12 -0.29 0.00 -1.11 0.00 0.00 56.01 55.86 3kx6 n LEU 340 Cb 0.88 -1.59 -0.07 0.00 0.53 0.00 0.00 43.42 43.16 3kx6 n LEU 340 CO -0.04 0.19 0.22 2.29 -1.11 0.00 0.00 177.39 178.94 3kx6 n LYS 341 N 2.68 2.82 0.00 1.96 2.85 -1.26 -5.03 118.16 122.18 3kx6 n LYS 341 Ca 0.11 -4.67 0.00 0.00 -1.05 0.00 0.00 58.31 52.69 3kx6 n LYS 341 Cb 0.36 -2.29 0.00 0.00 -0.65 0.00 0.00 35.03 32.45 3kx6 n LYS 341 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kx6 n ALA 354 N 0.84 -0.69 -3.50 0.58 0.00 -1.26 -5.10 120.51 111.38 3kx6 n ALA 354 Ca 0.30 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.60 3kx6 n ALA 354 Cb 0.40 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.81 3kx6 n ALA 354 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3kx6 s LYS 355 N 0.00 0.97 0.19 0.00 2.36 -1.26 -5.15 119.74 116.85 3kx6 s LYS 355 Ca 0.00 -0.04 -0.30 0.00 -2.55 0.00 0.00 55.97 53.08 3kx6 s LYS 355 Cb 0.00 0.45 -0.08 0.00 -1.05 0.00 0.00 37.83 37.15 3kx6 s LYS 355 CO 0.00 -0.36 1.25 0.71 1.55 0.00 0.00 175.35 178.50 3kx6 s TYR 356 N -2.14 3.35 0.38 4.03 2.02 -1.26 -4.99 117.35 118.74 3kx6 s TYR 356 Ca -0.03 1.32 -0.27 0.00 -0.37 0.00 0.00 57.07 57.72 3kx6 s TYR 356 Cb -0.01 -3.51 -0.09 0.00 -0.40 0.00 0.00 41.96 37.95 3kx6 s TYR 356 CO -0.01 -1.53 1.29 0.96 -1.57 0.00 0.00 175.55 174.70 3kx6 s ILE 357 N 0.07 2.69 -2.00 2.71 -4.36 -1.26 -5.20 121.20 113.85 3kx6 s ILE 357 Ca 0.55 0.63 0.08 0.00 -0.26 0.00 0.00 60.65 61.65 3kx6 s ILE 357 Cb -0.34 -3.38 0.23 0.00 1.25 0.00 0.00 42.46 40.21 3kx6 s ILE 357 CO 0.37 0.11 0.93 0.00 0.24 0.00 0.00 174.94 176.59