#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k6a s ALA 2 N 0.00 3.39 0.33 -1.58 0.00 -1.26 -4.99 121.76 117.65 1k6a s ALA 2 Ca 0.00 0.45 0.05 0.00 0.00 0.00 0.00 51.96 52.45 1k6a s ALA 2 Cb 0.00 -3.05 0.57 0.00 0.00 0.00 0.00 23.12 20.65 1k6a s ALA 2 CO 0.00 0.26 1.83 0.00 0.00 0.00 0.00 175.76 177.85 1k6a h ALA 3 N 4.08 1.31 -2.89 0.00 0.00 -2.03 -3.40 119.26 116.33 1k6a h ALA 3 Ca -0.46 -0.25 -0.61 0.00 0.00 0.00 0.00 54.91 53.59 1k6a h ALA 3 Cb 1.20 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 18.74 1k6a h ALA 3 CO 0.66 0.46 -0.25 -0.65 0.00 0.00 0.00 179.25 179.48 1k6a s GLN 4 N -4.77 4.15 -0.34 0.00 -1.52 -1.26 -5.05 119.66 110.88 1k6a s GLN 4 Ca -0.07 0.12 -0.20 0.00 -1.95 0.00 0.00 55.36 53.26 1k6a s GLN 4 Cb 0.15 -3.54 -0.00 0.00 -0.22 0.00 0.00 33.01 29.40 1k6a s GLN 4 CO 0.77 -0.03 0.63 0.45 -0.25 0.00 0.00 175.29 176.86 1k6a s SER 5 N 1.05 6.45 0.46 5.90 0.15 -1.26 -4.94 113.70 121.51 1k6a s SER 5 Ca 0.17 0.25 0.14 0.00 0.70 0.00 0.00 55.95 57.21 1k6a s SER 5 Cb -0.15 -2.33 1.05 0.00 -1.71 0.00 0.00 66.02 62.89 1k6a s SER 5 CO 0.07 -0.55 2.04 -0.37 1.20 0.00 0.00 173.24 175.64 1k6a h VAL 6 N 5.62 1.09 -0.13 4.45 -1.51 -1.90 -1.51 116.25 122.37 1k6a h VAL 6 Ca -0.27 -0.41 -0.04 0.00 -1.23 0.00 0.00 66.70 64.76 1k6a h VAL 6 Cb 1.11 1.15 -0.00 0.00 -2.13 0.00 0.00 31.29 31.42 1k6a h VAL 6 CO 0.82 0.12 -0.06 -0.78 -1.23 0.00 0.00 177.57 176.44 1k6a h ASP 7 N 0.06 0.28 -0.88 4.19 3.58 -1.71 -0.46 116.42 121.48 1k6a h ASP 7 Ca 0.01 -0.42 0.02 0.00 0.42 0.00 0.00 57.03 57.07 1k6a h ASP 7 Cb 0.20 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.12 1k6a h ASP 7 CO 0.01 0.63 0.58 1.56 -2.88 0.00 0.00 179.24 179.14 1k6a h GLN 8 N -0.07 1.13 -0.34 0.28 1.08 -1.76 -1.25 115.11 114.17 1k6a h GLN 8 Ca 0.03 -0.07 -0.13 0.00 -1.45 0.00 0.00 58.65 57.03 1k6a h GLN 8 Cb 0.53 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1k6a h GLN 8 CO 0.02 0.75 -0.33 -0.07 -0.95 0.00 0.00 178.83 178.25 1k6a h LEU 9 N 1.16 0.80 -0.73 1.46 3.38 -1.19 -2.01 115.31 118.18 1k6a h LEU 9 Ca 0.33 -0.33 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1k6a h LEU 9 Cb -0.08 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1k6a h LEU 9 CO -0.09 1.06 -0.52 -0.29 0.09 0.00 0.00 178.44 178.69 1k6a h ILE 10 N 0.64 1.35 -0.85 1.22 2.10 -0.87 -2.50 117.51 118.60 1k6a h ILE 10 Ca 0.07 -1.79 -0.01 0.00 1.08 0.00 0.00 64.86 64.21 1k6a h ILE 10 Cb 0.86 1.84 -0.04 0.00 -1.09 0.00 0.00 36.82 38.40 1k6a h ILE 10 CO 0.08 0.54 0.49 0.11 -1.08 0.00 0.00 178.15 178.28 1k6a h LYS 11 N 0.23 1.16 0.00 2.19 1.57 -1.09 -1.95 116.57 118.69 1k6a h LYS 11 Ca 0.01 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1k6a h LYS 11 Cb 1.00 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1k6a h LYS 11 CO 0.08 0.83 0.00 0.00 -0.57 0.00 0.00 179.45 179.79 1k6a h ALA 12 N 1.37 1.00 -0.11 3.86 0.00 -0.94 -0.68 119.26 123.76 1k6a h ALA 12 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1k6a h ALA 12 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1k6a h ALA 12 CO -0.05 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.74 1k6a n ARG 13 N -2.88 1.74 -0.12 0.00 5.12 -0.80 -4.94 116.66 114.78 1k6a n ARG 13 Ca 0.00 -1.10 0.00 0.00 -1.93 0.00 0.00 57.85 54.82 1k6a n ARG 13 Cb 0.24 -1.43 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 1k6a n ARG 13 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1k6a n GLY 14 N 1.16 0.87 3.98 -0.13 0.00 -0.26 -5.09 105.19 105.72 1k6a n GLY 14 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1k6a n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k6a s LYS 15 N -0.88 2.43 -0.12 1.61 -0.14 -0.80 -5.00 119.74 116.84 1k6a s LYS 15 Ca 0.00 -0.83 -0.16 0.00 -1.36 0.00 0.00 55.97 53.62 1k6a s LYS 15 Cb 0.00 -2.47 -0.26 0.00 -1.68 0.00 0.00 37.83 33.42 1k6a s LYS 15 CO 0.00 -0.81 0.50 0.28 -0.76 0.00 0.00 175.35 174.56 1k6a h VAL 16 N -0.01 1.01 -3.06 3.17 2.07 -1.34 -3.35 116.25 114.74 1k6a h VAL 16 Ca -0.41 -2.36 -0.02 0.00 0.82 0.00 0.00 66.70 64.73 1k6a h VAL 16 Cb 1.29 2.65 -0.11 0.00 -1.52 0.00 0.00 31.29 33.60 1k6a h VAL 16 CO 0.51 0.66 0.17 -0.72 0.02 0.00 0.00 177.57 178.21 1k6a s TYR 17 N -2.46 -0.45 -0.16 1.57 -0.85 -1.19 -4.84 117.35 108.98 1k6a s TYR 17 Ca -0.21 0.20 -0.00 0.00 -0.52 0.00 0.00 57.07 56.53 1k6a s TYR 17 Cb 0.04 0.53 0.03 0.00 0.38 0.00 0.00 41.96 42.95 1k6a s TYR 17 CO 0.74 -0.87 -0.08 0.12 -1.52 0.00 0.00 175.55 173.93 1k6a s PHE 18 N -3.78 1.89 0.09 -3.49 2.19 -1.26 -2.70 117.98 110.92 1k6a s PHE 18 Ca 0.03 -1.14 0.01 0.00 0.33 0.00 0.00 56.93 56.15 1k6a s PHE 18 Cb -0.01 -1.41 -0.00 0.00 -1.31 0.00 0.00 43.02 40.28 1k6a s PHE 18 CO -0.10 -0.63 0.04 0.41 1.83 0.00 0.00 175.22 176.76 1k6a n GLY 19 N 4.83 3.90 3.23 13.12 0.00 0.55 -0.99 105.19 129.84 1k6a n GLY 19 Ca -0.13 -1.94 -0.12 0.00 0.00 0.00 0.00 46.02 43.83 1k6a n GLY 19 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k6a s VAL 20 N -1.92 0.08 0.31 1.61 -7.23 -0.58 -1.05 120.40 111.62 1k6a s VAL 20 Ca 0.05 -0.66 -0.27 0.00 -1.81 0.00 0.00 61.98 59.28 1k6a s VAL 20 Cb 0.00 -0.85 -0.09 0.00 0.56 0.00 0.00 36.38 36.00 1k6a s VAL 20 CO 0.04 -0.37 1.00 0.00 -0.31 0.00 0.00 175.10 175.46 1k6a s ALA 21 N -2.24 3.26 0.29 1.32 0.00 -0.58 -1.76 121.76 122.05 1k6a s ALA 21 Ca -0.07 0.67 -0.12 0.00 0.00 0.00 0.00 51.96 52.43 1k6a s ALA 21 Cb -0.02 -3.24 0.05 0.00 0.00 0.00 0.00 23.12 19.91 1k6a s ALA 21 CO -0.02 0.03 0.65 -2.37 0.00 0.00 0.00 175.76 174.05 1k6a n THR 22 N 0.79 0.00 -3.83 0.00 5.66 -0.43 -4.00 114.28 112.47 1k6a n THR 22 Ca 0.01 -0.74 -0.01 0.00 -3.05 0.00 0.00 64.05 60.26 1k6a n THR 22 Cb 0.48 0.76 0.01 0.00 -1.55 0.00 0.00 70.33 70.03 1k6a n THR 22 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1k6a s ASP 23 N -2.68 -0.04 0.25 1.09 1.01 -1.26 -0.99 116.67 114.05 1k6a s ASP 23 Ca 0.13 -0.41 -0.04 0.00 0.71 0.00 0.00 52.55 52.95 1k6a s ASP 23 Cb -0.04 0.35 0.45 0.00 1.01 0.00 0.00 42.92 44.69 1k6a s ASP 23 CO 0.09 -0.67 1.76 -0.61 0.21 0.00 0.00 175.17 175.94 1k6a h GLN 24 N 2.00 0.55 -0.20 8.23 4.15 -1.95 -0.64 115.11 127.25 1k6a h GLN 24 Ca -0.26 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.12 1k6a h GLN 24 Cb 1.21 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 1k6a h GLN 24 CO 0.31 0.36 0.10 -2.95 -1.93 0.00 0.00 178.83 174.73 1k6a h ASN 25 N 0.57 0.23 0.19 -0.69 -1.07 -1.98 -1.99 115.58 110.84 1k6a h ASN 25 Ca 0.42 -0.01 -0.27 0.00 0.07 0.00 0.00 56.30 56.50 1k6a h ASN 25 Cb 0.56 -0.06 0.03 0.00 -2.07 0.00 0.00 38.32 36.78 1k6a h ASN 25 CO -0.35 0.20 -1.19 0.03 0.07 0.00 0.00 177.43 176.19 1k6a h ARG 26 N 0.27 0.47 0.00 4.14 2.47 -1.56 -3.34 114.38 116.83 1k6a h ARG 26 Ca 0.07 -0.76 -0.03 0.00 -1.26 0.00 0.00 59.98 58.00 1k6a h ARG 26 Cb 0.02 0.28 -0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1k6a h ARG 26 CO -0.01 1.36 -0.14 -0.07 0.56 0.00 0.00 179.97 181.67 1k6a h LEU 27 N -0.02 0.00 -1.85 3.04 3.38 -0.70 -2.30 115.31 116.86 1k6a h LEU 27 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1k6a h LEU 27 Cb 1.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.68 1k6a h LEU 27 CO 0.22 0.14 0.00 0.35 0.09 0.00 0.00 178.44 179.24 1k6a n THR 28 N -3.75 0.56 -4.13 0.22 -2.24 -0.79 -4.39 114.28 99.76 1k6a n THR 28 Ca -0.02 -0.64 -0.12 0.00 -2.27 0.00 0.00 64.05 61.01 1k6a n THR 28 Cb 0.25 0.48 -0.11 0.00 -2.10 0.00 0.00 70.33 68.85 1k6a n THR 28 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1k6a s THR 29 N -1.44 0.65 0.00 4.28 2.01 -0.86 -5.09 115.64 115.18 1k6a s THR 29 Ca 0.35 -1.63 0.00 0.00 0.31 0.00 0.00 61.69 60.72 1k6a s THR 29 Cb 0.19 -1.30 0.00 0.00 0.01 0.00 0.00 72.50 71.40 1k6a s THR 29 CO 0.26 -0.70 0.00 0.61 -0.69 0.00 0.00 174.62 174.10 1k6a n GLY 30 N 0.50 1.33 1.19 4.40 0.00 -1.26 -3.23 105.19 108.11 1k6a n GLY 30 Ca -0.16 -0.55 0.08 0.00 0.00 0.00 0.00 46.02 45.39 1k6a n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k6a n LYS 31 N 2.67 3.42 -0.06 1.61 5.02 -1.26 -4.71 118.16 124.85 1k6a n LYS 31 Ca 0.00 -2.73 -0.09 0.00 -2.02 0.00 0.00 58.31 53.48 1k6a n LYS 31 Cb 0.00 -1.78 -0.02 0.00 -0.02 0.00 0.00 35.03 33.21 1k6a n LYS 31 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1k6a h ASN 32 N 2.89 0.14 -0.58 4.39 2.35 -1.77 -1.82 115.58 121.18 1k6a h ASN 32 Ca 0.00 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1k6a h ASN 32 Cb 1.35 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.69 1k6a h ASN 32 CO 0.21 0.11 0.34 0.00 -1.65 0.00 0.00 177.43 176.44 1k6a h ALA 33 N 1.13 0.74 -0.80 -0.83 0.00 -1.79 -0.85 119.26 116.87 1k6a h ALA 33 Ca 0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1k6a h ALA 33 Cb 0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1k6a h ALA 33 CO -0.08 0.24 0.35 0.00 0.00 0.00 0.00 179.25 179.75 1k6a h ALA 34 N 1.16 1.04 -0.31 0.00 0.00 -1.83 -0.02 119.26 119.30 1k6a h ALA 34 Ca 0.21 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1k6a h ALA 34 Cb 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1k6a h ALA 34 CO -0.04 0.63 -0.02 0.82 0.00 0.00 0.00 179.25 180.65 1k6a h ILE 35 N 1.15 1.26 -0.56 0.00 2.04 -1.02 -2.09 117.51 118.29 1k6a h ILE 35 Ca 0.27 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 1k6a h ILE 35 Cb 0.17 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1k6a h ILE 35 CO -0.03 0.32 0.22 0.40 0.00 0.00 0.00 178.15 179.07 1k6a h ILE 36 N 0.36 1.22 -0.47 -0.67 2.04 -0.87 -0.10 117.51 119.02 1k6a h ILE 36 Ca 0.09 -0.69 0.07 0.00 1.00 0.00 0.00 64.86 65.32 1k6a h ILE 36 Cb 0.47 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 1k6a h ILE 36 CO 0.02 0.27 0.15 1.56 0.00 0.00 0.00 178.15 180.14 1k6a h GLN 37 N 0.76 0.30 0.24 2.37 4.20 -0.93 -2.82 115.11 119.23 1k6a h GLN 37 Ca 0.19 -0.02 -0.31 0.00 0.06 0.00 0.00 58.65 58.56 1k6a h GLN 37 Cb 0.20 -0.07 0.04 0.00 0.30 0.00 0.00 27.48 27.95 1k6a h GLN 37 CO -0.02 0.20 -1.38 0.00 -0.67 0.00 0.00 178.83 176.96 1k6a h ALA 38 N 1.33 -0.14 0.00 3.87 0.00 -1.13 -3.42 119.26 119.77 1k6a h ALA 38 Ca 0.23 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1k6a h ALA 38 Cb 0.25 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1k6a h ALA 38 CO -0.25 0.65 -0.75 -0.25 0.00 0.00 0.00 179.25 178.65 1k6a n ASP 39 N -3.79 1.57 -4.28 0.00 8.00 -0.07 -4.64 116.55 113.34 1k6a n ASP 39 Ca -0.17 -0.39 -0.20 0.00 0.71 0.00 0.00 54.79 54.74 1k6a n ASP 39 Cb 1.06 1.14 -0.11 0.00 -0.02 0.00 0.00 41.12 43.18 1k6a n ASP 39 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1k6a s PHE 40 N -2.02 1.58 -0.24 1.24 0.08 -1.07 -2.39 117.98 115.16 1k6a s PHE 40 Ca 0.00 -0.51 0.02 0.00 0.12 0.00 0.00 56.93 56.56 1k6a s PHE 40 Cb 0.05 -0.81 0.03 0.00 -0.57 0.00 0.00 43.02 41.72 1k6a s PHE 40 CO 0.30 0.22 0.68 0.41 -0.10 0.00 0.00 175.22 176.73 1k6a n GLY 41 N 0.49 -0.25 3.43 4.36 0.00 -0.16 -4.71 105.19 108.35 1k6a n GLY 41 Ca -0.15 -0.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 1k6a n GLY 41 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k6a s GLN 42 N -0.38 0.92 0.03 1.61 -0.44 -1.26 -1.60 119.66 118.55 1k6a s GLN 42 Ca 0.03 0.16 0.03 0.00 -2.50 0.00 0.00 55.36 53.08 1k6a s GLN 42 Cb 0.02 0.43 -0.02 0.00 -1.64 0.00 0.00 33.01 31.80 1k6a s GLN 42 CO 0.03 -0.27 -0.10 0.14 0.50 0.00 0.00 175.29 175.58 1k6a s VAL 43 N -1.14 0.80 -0.10 1.34 -7.23 0.27 -1.52 120.40 112.82 1k6a s VAL 43 Ca -0.11 -0.82 0.04 0.00 -1.81 0.00 0.00 61.98 59.28 1k6a s VAL 43 Cb -0.02 -0.75 0.00 0.00 0.56 0.00 0.00 36.38 36.18 1k6a s VAL 43 CO 0.08 -0.06 -0.24 -0.89 -0.31 0.00 0.00 175.10 173.68 1k6a s THR 44 N -0.79 2.04 0.07 5.32 2.01 -0.72 -1.68 115.64 121.88 1k6a s THR 44 Ca -0.01 -1.01 -0.31 0.00 0.31 0.00 0.00 61.69 60.68 1k6a s THR 44 Cb -0.07 -1.76 -0.08 0.00 0.01 0.00 0.00 72.50 70.60 1k6a s THR 44 CO 0.01 0.55 1.55 -2.16 -0.69 0.00 0.00 174.62 173.88 1k6a s PRO 45 N 0.36 4.23 0.22 4.92 0.04 -1.26 -1.32 135.00 142.20 1k6a s PRO 45 Ca -0.19 2.22 -0.06 0.00 0.04 0.00 0.00 61.00 63.01 1k6a s PRO 45 Cb -0.18 -3.51 0.19 0.00 0.04 0.00 0.00 34.50 31.04 1k6a s PRO 45 CO 0.09 -0.65 1.71 0.93 0.04 0.00 0.00 177.00 179.11 1k6a h GLU 46 N 7.89 0.98 0.00 4.56 5.08 -1.42 -3.42 114.58 128.25 1k6a h GLU 46 Ca -0.41 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 57.67 1k6a h GLU 46 Cb 1.20 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1k6a h GLU 46 CO 0.91 0.94 0.00 0.09 -1.00 0.00 0.00 179.01 179.95 1k6a n ASN 47 N -4.20 0.00 0.06 1.42 3.02 -1.26 -4.95 115.26 109.34 1k6a n ASN 47 Ca 0.03 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.68 1k6a n ASN 47 Cb 0.31 0.00 0.41 0.00 -0.61 0.00 0.00 39.78 39.89 1k6a n ASN 47 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1k6a n SER 48 N -0.20 0.31 -0.74 6.41 3.41 -1.26 -2.23 113.62 119.32 1k6a n SER 48 Ca 0.00 0.57 0.08 0.00 -0.26 0.00 0.00 58.87 59.26 1k6a n SER 48 Cb 0.00 -0.64 0.14 0.00 -0.26 0.00 0.00 64.21 63.45 1k6a n SER 48 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1k6a n MET 49 N -1.84 2.00 -1.53 4.33 2.81 -1.26 -4.11 117.12 117.52 1k6a n MET 49 Ca 0.03 -1.84 -0.30 0.00 -1.81 0.00 0.00 57.70 53.78 1k6a n MET 49 Cb 0.22 -1.33 0.10 0.00 -0.71 0.00 0.00 33.22 31.50 1k6a n MET 49 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1k6a s LYS 50 N -1.13 1.98 0.21 0.03 1.02 -0.95 -3.95 119.74 116.95 1k6a s LYS 50 Ca 0.25 0.64 -0.07 0.00 0.02 0.00 0.00 55.97 56.80 1k6a s LYS 50 Cb 0.15 -1.91 0.15 0.00 -0.52 0.00 0.00 37.83 35.70 1k6a s LYS 50 CO 0.20 -1.69 1.72 2.35 -0.92 0.00 0.00 175.35 177.01 1k6a h TRP 51 N -1.14 1.14 -0.69 3.18 2.91 -1.77 -1.85 115.95 117.74 1k6a h TRP 51 Ca -0.47 -0.14 -0.00 0.00 1.13 0.00 0.00 58.89 59.40 1k6a h TRP 51 Cb 1.27 -0.32 -0.03 0.00 -0.51 0.00 0.00 29.16 29.57 1k6a h TRP 51 CO 0.45 0.94 0.41 0.38 -1.03 0.00 0.00 178.44 179.60 1k6a h ASP 52 N 1.03 0.82 -0.13 2.65 2.03 -1.75 -0.90 116.42 120.16 1k6a h ASP 52 Ca 0.21 -0.04 -0.21 0.00 -0.73 0.00 0.00 57.03 56.26 1k6a h ASP 52 Cb 0.40 -0.21 0.01 0.00 -0.83 0.00 0.00 39.33 38.70 1k6a h ASP 52 CO 0.01 0.63 -0.74 0.00 -1.03 0.00 0.00 179.24 178.11 1k6a h ALA 53 N 1.51 0.27 0.00 4.15 0.00 -1.74 -3.35 119.26 120.10 1k6a h ALA 53 Ca 0.25 -0.59 -0.22 0.00 0.00 0.00 0.00 54.91 54.35 1k6a h ALA 53 Cb -0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1k6a h ALA 53 CO -0.05 0.61 -1.88 0.25 0.00 0.00 0.00 179.25 178.19 1k6a n THR 54 N -4.00 1.10 -3.16 0.00 -2.24 -0.73 -4.44 114.28 100.81 1k6a n THR 54 Ca -0.08 -0.73 -0.21 0.00 -2.27 0.00 0.00 64.05 60.77 1k6a n THR 54 Cb 0.73 -0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 68.36 1k6a n THR 54 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1k6a n GLU 55 N -2.75 0.81 0.27 -0.78 2.13 -0.36 -0.86 120.64 119.10 1k6a n GLU 55 Ca -0.17 -3.18 0.16 0.00 0.66 0.00 0.00 57.16 54.63 1k6a n GLU 55 Cb 0.93 -1.39 0.61 0.00 0.27 0.00 0.00 31.44 31.85 1k6a n GLU 55 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1k6a h PRO 56 N 3.63 0.00 -5.27 5.31 0.13 -1.70 -3.41 132.00 130.68 1k6a h PRO 56 Ca 0.07 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.76 1k6a h PRO 56 Cb 0.92 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.81 1k6a h PRO 56 CO 0.46 0.00 -0.79 -1.12 -0.23 0.00 0.00 178.00 176.32 1k6a s SER 57 N -5.73 1.61 0.21 1.44 0.01 -1.26 -4.88 113.70 105.10 1k6a s SER 57 Ca 0.02 -0.45 -0.32 0.00 1.31 0.00 0.00 55.95 56.51 1k6a s SER 57 Cb 0.08 -0.10 -0.12 0.00 0.21 0.00 0.00 66.02 66.09 1k6a s SER 57 CO 0.56 0.03 1.68 1.67 0.41 0.00 0.00 173.24 177.59 1k6a n GLN 58 N 1.92 2.65 -0.96 12.44 7.27 -1.26 -1.58 117.38 137.87 1k6a n GLN 58 Ca -0.18 0.96 0.00 0.00 0.07 0.00 0.00 57.00 57.85 1k6a n GLN 58 Cb 0.55 -2.78 0.00 0.00 2.41 0.00 0.00 30.24 30.42 1k6a n GLN 58 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1k6a n GLY 59 N 3.67 0.28 3.01 1.69 0.00 -1.26 -4.92 105.19 107.65 1k6a n GLY 59 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1k6a n GLY 59 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k6a s ASN 60 N -2.07 5.34 0.35 1.61 0.01 -0.61 -5.09 114.94 114.48 1k6a s ASN 60 Ca 0.00 -3.65 -0.18 0.00 -0.71 0.00 0.00 52.86 48.32 1k6a s ASN 60 Cb 0.00 -1.78 -0.10 0.00 0.41 0.00 0.00 41.25 39.79 1k6a s ASN 60 CO 0.00 -0.16 0.82 -0.36 -1.51 0.00 0.00 177.10 175.89 1k6a s PHE 61 N -1.20 3.38 -0.20 2.20 0.40 -1.26 -4.05 117.98 117.24 1k6a s PHE 61 Ca 0.25 1.39 -0.01 0.00 -0.60 0.00 0.00 56.93 57.96 1k6a s PHE 61 Cb -0.09 -2.67 0.05 0.00 0.51 0.00 0.00 43.02 40.83 1k6a s PHE 61 CO -0.12 0.04 -0.03 1.21 0.70 0.00 0.00 175.22 177.02 1k6a s ASN 62 N -2.18 3.27 0.00 1.36 3.84 -0.04 -4.99 114.94 116.21 1k6a s ASN 62 Ca 0.56 -0.92 0.09 0.00 0.21 0.00 0.00 52.86 52.81 1k6a s ASN 62 Cb -0.10 -0.95 0.26 0.00 -0.55 0.00 0.00 41.25 39.91 1k6a s ASN 62 CO 0.16 -0.24 1.21 0.49 -2.79 0.00 0.00 177.10 175.94 1k6a n PHE 63 N 4.83 0.39 0.04 0.43 3.72 -1.26 -4.17 117.46 121.45 1k6a n PHE 63 Ca -0.11 -0.48 -0.11 0.00 -0.05 0.00 0.00 57.45 56.69 1k6a n PHE 63 Cb 0.46 -0.03 -0.06 0.00 -0.94 0.00 0.00 39.48 38.92 1k6a n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1k6a h ALA 64 N 1.80 -0.06 -0.54 4.37 0.00 -1.94 0.98 119.26 123.87 1k6a h ALA 64 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1k6a h ALA 64 Cb 0.69 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1k6a h ALA 64 CO 0.00 -0.56 -0.06 0.78 0.00 0.00 0.00 179.25 179.41 1k6a h GLY 65 N -0.11 1.07 0.94 0.00 0.00 -1.88 -2.09 103.07 101.00 1k6a h GLY 65 Ca 0.03 -0.83 -0.03 0.00 0.00 0.00 0.00 47.33 46.49 1k6a h GLY 65 CO -0.07 0.76 0.12 0.00 0.00 0.00 0.00 176.54 177.35 1k6a h ALA 66 N 0.93 0.53 -0.86 3.60 0.00 -1.65 -2.45 119.26 119.37 1k6a h ALA 66 Ca 0.15 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1k6a h ALA 66 Cb 0.61 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1k6a h ALA 66 CO 0.04 0.19 0.56 -0.44 0.00 0.00 0.00 179.25 179.59 1k6a h ASP 67 N 0.52 0.92 -0.12 0.00 3.32 -0.72 -0.92 116.42 119.42 1k6a h ASP 67 Ca 0.13 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.21 1k6a h ASP 67 Cb 0.27 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1k6a h ASP 67 CO -0.00 0.63 -0.09 0.22 -1.72 0.00 0.00 179.24 178.28 1k6a h TYR 68 N 1.08 -0.21 -0.32 4.55 5.03 -1.01 -0.26 116.97 125.83 1k6a h TYR 68 Ca 0.34 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.63 1k6a h TYR 68 Cb 0.01 0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.39 1k6a h TYR 68 CO -0.02 -0.14 0.02 1.25 -1.32 0.00 0.00 178.16 177.96 1k6a h LEU 69 N -0.10 0.53 -0.43 2.82 7.12 -0.99 -1.29 115.31 122.97 1k6a h LEU 69 Ca 0.08 -0.29 -0.03 0.00 0.13 0.00 0.00 57.88 57.77 1k6a h LEU 69 Cb 0.21 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.18 1k6a h LEU 69 CO -0.18 0.69 0.15 0.58 -0.13 0.00 0.00 178.44 179.54 1k6a h VAL 70 N 0.35 1.21 -0.78 1.05 2.07 -1.04 -0.06 116.25 119.05 1k6a h VAL 70 Ca 0.09 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 1k6a h VAL 70 Cb 0.40 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1k6a h VAL 70 CO 0.01 0.25 0.29 0.78 0.02 0.00 0.00 177.57 178.92 1k6a h ASN 71 N 0.56 1.10 -0.40 0.57 2.35 -0.98 -0.94 115.58 117.83 1k6a h ASN 71 Ca 0.14 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 1k6a h ASN 71 Cb 0.24 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1k6a h ASN 71 CO -0.01 0.99 0.15 -0.25 -1.65 0.00 0.00 177.43 176.66 1k6a h TRP 72 N 1.15 0.63 -0.58 1.19 7.01 -0.97 -1.54 115.95 122.84 1k6a h TRP 72 Ca 0.26 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.19 1k6a h TRP 72 Cb 0.25 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.09 1k6a h TRP 72 CO 0.02 0.57 0.32 0.00 -2.79 0.00 0.00 178.44 176.56 1k6a h ALA 73 N 0.99 0.74 -0.56 2.65 0.00 -0.81 -1.71 119.26 120.55 1k6a h ALA 73 Ca 0.13 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1k6a h ALA 73 Cb 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1k6a h ALA 73 CO -0.01 0.26 0.04 1.96 0.00 0.00 0.00 179.25 181.50 1k6a h GLN 74 N 0.78 0.97 -0.20 0.00 4.20 -0.97 -0.36 115.11 119.53 1k6a h GLN 74 Ca 0.20 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 1k6a h GLN 74 Cb 0.05 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1k6a h GLN 74 CO -0.03 0.95 -0.05 1.96 -0.67 0.00 0.00 178.83 180.99 1k6a h GLN 75 N 0.86 0.30 -0.45 1.46 4.20 -0.98 -3.02 115.11 117.48 1k6a h GLN 75 Ca 0.16 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1k6a h GLN 75 Cb 0.49 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1k6a h GLN 75 CO 0.02 0.37 0.00 0.09 -0.67 0.00 0.00 178.83 178.64 1k6a n ASN 76 N -4.32 3.44 -0.78 1.46 3.02 -0.67 -4.98 115.26 112.42 1k6a n ASN 76 Ca -0.00 -1.96 -0.07 0.00 -0.03 0.00 0.00 54.58 52.51 1k6a n ASN 76 Cb 0.22 -0.30 -0.01 0.00 -0.61 0.00 0.00 39.78 39.09 1k6a n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k6a n GLY 77 N 1.36 0.28 3.81 7.41 0.00 -0.34 -5.02 105.19 112.68 1k6a n GLY 77 Ca 0.19 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 1k6a n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k6a s LYS 78 N -3.95 3.23 0.67 1.61 -0.14 -0.29 -4.95 119.74 115.92 1k6a s LYS 78 Ca 0.00 -0.34 -0.14 0.00 -1.36 0.00 0.00 55.97 54.13 1k6a s LYS 78 Cb 0.00 -2.99 0.01 0.00 -1.68 0.00 0.00 37.83 33.17 1k6a s LYS 78 CO 0.00 0.70 1.11 -0.51 -0.76 0.00 0.00 175.35 175.89 1k6a s LEU 79 N -1.41 3.34 -0.06 3.17 1.43 -0.62 -4.49 118.68 120.04 1k6a s LEU 79 Ca 0.20 1.98 0.04 0.00 -1.03 0.00 0.00 54.13 55.31 1k6a s LEU 79 Cb -0.12 -4.55 -0.00 0.00 0.03 0.00 0.00 46.19 41.55 1k6a s LEU 79 CO 0.10 -1.68 -0.19 -0.63 0.23 0.00 0.00 176.35 174.17 1k6a s ILE 80 N -2.42 1.63 -0.22 -0.59 1.01 -1.26 -0.56 121.20 118.79 1k6a s ILE 80 Ca 0.66 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 60.44 1k6a s ILE 80 Cb -0.20 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 1k6a s ILE 80 CO 0.43 0.46 0.04 -0.13 0.00 0.00 0.00 174.94 175.75 1k6a s ARG 81 N 0.14 3.69 0.23 2.79 0.52 -0.67 -1.41 118.95 124.22 1k6a s ARG 81 Ca -0.08 -0.48 -0.30 0.00 -0.52 0.00 0.00 55.73 54.36 1k6a s ARG 81 Cb -0.14 -3.20 -0.09 0.00 0.52 0.00 0.00 34.95 32.05 1k6a s ARG 81 CO 0.04 -0.03 0.97 0.20 0.02 0.00 0.00 175.30 176.50 1k6a s GLY 82 N 1.16 3.08 -0.21 -3.53 0.00 0.30 -4.08 107.32 104.04 1k6a s GLY 82 Ca 0.04 0.66 -0.06 0.00 0.00 0.00 0.00 44.72 45.36 1k6a s GLY 82 CO 0.02 1.29 0.42 -1.58 0.00 0.00 0.00 173.10 173.26 1k6a s HIS 83 N -0.97 -0.83 -0.02 1.90 5.04 -1.26 -0.89 115.29 118.25 1k6a s HIS 83 Ca 0.43 1.43 -0.08 0.00 -1.54 0.00 0.00 55.06 55.30 1k6a s HIS 83 Cb -0.27 0.27 0.01 0.00 0.04 0.00 0.00 32.58 32.63 1k6a s HIS 83 CO 0.33 -0.54 0.17 -0.08 -2.34 0.00 0.00 174.74 172.28 1k6a s THR 84 N 2.61 0.06 -0.13 0.89 -1.32 -1.25 -3.84 115.64 112.65 1k6a s THR 84 Ca 0.01 -0.49 -0.15 0.00 -1.21 0.00 0.00 61.69 59.86 1k6a s THR 84 Cb -0.13 -0.41 -0.13 0.00 -1.51 0.00 0.00 72.50 70.33 1k6a s THR 84 CO -0.14 -0.27 0.30 -0.07 -2.21 0.00 0.00 174.62 172.23 1k6a h LEU 85 N 4.65 0.00 -8.13 9.08 3.38 -1.49 -3.40 115.31 119.40 1k6a h LEU 85 Ca -0.29 -0.44 -0.67 0.00 0.09 0.00 0.00 57.88 56.56 1k6a h LEU 85 Cb 1.19 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.62 1k6a h LEU 85 CO 0.40 0.84 -0.78 -0.69 0.09 0.00 0.00 178.44 178.30 1k6a s VAL 86 N -1.98 2.66 -0.14 1.22 1.01 -0.22 -4.79 120.40 118.16 1k6a s VAL 86 Ca -0.12 -1.00 -0.25 0.00 0.00 0.00 0.00 61.98 60.60 1k6a s VAL 86 Cb -0.00 -2.30 0.06 0.00 0.00 0.00 0.00 36.38 34.14 1k6a s VAL 86 CO 0.36 0.29 0.63 0.86 0.00 0.00 0.00 175.10 177.23 1k6a s TRP 87 N 1.31 -0.63 -0.35 5.22 -0.00 -1.26 -1.55 118.94 121.67 1k6a s TRP 87 Ca 0.01 1.33 0.21 0.00 -0.00 0.00 0.00 56.10 57.66 1k6a s TRP 87 Cb -0.16 0.30 0.23 0.00 -0.00 0.00 0.00 33.47 33.84 1k6a s TRP 87 CO -0.07 -0.46 1.49 1.12 -0.00 0.00 0.00 176.95 179.03 1k6a h HIS 88 N 4.12 0.00 -3.31 5.86 2.07 -1.92 -3.44 115.15 118.52 1k6a h HIS 88 Ca -0.28 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 56.76 1k6a h HIS 88 Cb 1.16 0.00 0.03 0.00 2.57 0.00 0.00 27.41 31.16 1k6a h HIS 88 CO 0.40 0.11 0.01 -1.12 -3.07 0.00 0.00 177.93 174.27 1k6a s SER 89 N -6.14 6.25 -1.50 3.10 0.01 -1.26 -4.31 113.70 109.85 1k6a s SER 89 Ca 0.05 0.76 -0.10 0.00 1.31 0.00 0.00 55.95 57.97 1k6a s SER 89 Cb 0.06 -2.15 0.07 0.00 0.21 0.00 0.00 66.02 64.21 1k6a s SER 89 CO 0.70 -0.50 0.84 0.00 0.41 0.00 0.00 173.24 174.69 1k6a n GLN 90 N -2.12 -4.85 -4.24 12.44 6.02 -1.26 -4.91 117.38 118.46 1k6a n GLN 90 Ca -0.01 0.55 -0.34 0.00 -0.01 0.00 0.00 57.00 57.19 1k6a n GLN 90 Cb 0.56 -5.28 -0.14 0.00 1.02 0.00 0.00 30.24 26.40 1k6a n GLN 90 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1k6a s LEU 91 N -7.13 2.78 0.72 1.08 2.96 -1.26 -2.17 118.68 115.66 1k6a s LEU 91 Ca 0.48 -0.38 -0.16 0.00 -0.22 0.00 0.00 54.13 53.85 1k6a s LEU 91 Cb -0.25 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 44.79 1k6a s LEU 91 CO 0.85 0.05 1.14 -2.65 -1.32 0.00 0.00 176.35 174.42 1k6a n PRO 92 N 4.30 0.61 0.15 0.98 -0.02 -1.26 -4.88 135.00 134.87 1k6a n PRO 92 Ca -0.18 0.27 0.05 0.00 -2.02 0.00 0.00 63.50 61.62 1k6a n PRO 92 Cb 0.51 -2.38 0.51 0.00 -0.02 0.00 0.00 33.50 32.12 1k6a n PRO 92 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1k6a h SER 93 N -0.19 0.19 0.30 2.55 0.87 -1.98 -1.89 113.55 113.40 1k6a h SER 93 Ca -0.48 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.03 1k6a h SER 93 Cb 1.33 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 1k6a h SER 93 CO 0.49 0.20 -0.18 4.11 -0.53 0.00 0.00 176.83 180.91 1k6a h TRP 94 N 0.22 0.00 0.00 2.24 5.08 -1.90 -2.12 115.95 119.47 1k6a h TRP 94 Ca 0.06 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.90 1k6a h TRP 94 Cb 0.08 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.25 1k6a h TRP 94 CO 0.00 0.18 -0.48 0.28 -1.28 0.00 0.00 178.44 177.14 1k6a h VAL 95 N 0.00 1.47 0.00 0.12 2.07 -1.70 -3.29 116.25 114.92 1k6a h VAL 95 Ca -0.00 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.47 1k6a h VAL 95 Cb 0.38 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1k6a h VAL 95 CO 0.02 0.58 0.00 -1.54 0.02 0.00 0.00 177.57 176.66 1k6a n SER 96 N -4.32 0.60 0.07 0.57 3.41 -1.07 -1.97 113.62 110.90 1k6a n SER 96 Ca -0.10 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.26 1k6a n SER 96 Cb 0.62 -0.76 0.47 0.00 -0.26 0.00 0.00 64.21 64.28 1k6a n SER 96 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1k6a n SER 97 N -2.14 0.47 -4.70 4.04 7.64 -0.82 -4.84 113.62 113.27 1k6a n SER 97 Ca 0.03 0.56 -0.41 0.00 1.01 0.00 0.00 58.87 60.05 1k6a n SER 97 Cb 0.25 -0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 62.74 1k6a n SER 97 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1k6a s ILE 98 N -3.09 4.90 -0.59 0.44 1.01 -0.83 -4.92 121.20 118.11 1k6a s ILE 98 Ca 0.10 1.85 0.07 0.00 0.00 0.00 0.00 60.65 62.68 1k6a s ILE 98 Cb 0.14 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 1k6a s ILE 98 CO 0.52 0.14 0.48 0.35 0.00 0.00 0.00 174.94 176.42 1k6a n THR 99 N 4.09 0.00 -3.29 2.92 -2.24 -1.26 -4.97 114.28 109.52 1k6a n THR 99 Ca 0.04 -0.40 -0.39 0.00 -2.27 0.00 0.00 64.05 61.04 1k6a n THR 99 Cb 0.50 1.07 -0.07 0.00 -2.10 0.00 0.00 70.33 69.73 1k6a n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1k6a s ASP 100 N -1.28 6.58 0.14 3.42 2.15 -1.26 -4.96 116.67 121.47 1k6a s ASP 100 Ca 0.05 0.70 -0.16 0.00 0.43 0.00 0.00 52.55 53.57 1k6a s ASP 100 Cb 0.06 -2.28 -0.00 0.00 -0.30 0.00 0.00 42.92 40.40 1k6a s ASP 100 CO 0.22 -0.10 1.75 0.50 -0.17 0.00 0.00 175.17 177.37 1k6a h LYS 101 N 7.19 0.53 -0.70 4.34 3.64 -1.95 -1.04 116.57 128.59 1k6a h LYS 101 Ca -0.37 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 58.94 1k6a h LYS 101 Cb 1.16 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.84 1k6a h LYS 101 CO 0.74 0.42 0.36 -0.97 -2.27 0.00 0.00 179.45 177.74 1k6a h ASN 102 N 0.50 0.90 -0.02 4.20 -0.73 -1.94 -0.64 115.58 117.85 1k6a h ASN 102 Ca 0.14 -0.12 -0.00 0.00 1.87 0.00 0.00 56.30 58.19 1k6a h ASN 102 Cb 0.04 -0.23 -0.00 0.00 0.27 0.00 0.00 38.32 38.40 1k6a h ASN 102 CO -0.02 0.76 0.00 0.74 -0.37 0.00 0.00 177.43 178.54 1k6a h THR 103 N 0.97 1.19 -0.22 -3.57 2.02 -1.94 -1.61 112.91 109.74 1k6a h THR 103 Ca 0.24 -0.55 -0.10 0.00 0.77 0.00 0.00 66.41 66.77 1k6a h THR 103 Cb 0.08 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1k6a h THR 103 CO -0.03 0.15 -0.30 0.25 0.37 0.00 0.00 175.52 175.95 1k6a h LEU 104 N -0.20 0.46 -0.14 2.58 5.85 -1.01 -0.69 115.31 122.17 1k6a h LEU 104 Ca 0.01 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1k6a h LEU 104 Cb 0.23 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1k6a h LEU 104 CO 0.00 0.74 0.08 0.74 -0.34 0.00 0.00 178.44 179.67 1k6a h THR 105 N 0.39 1.03 -0.54 1.05 2.02 -1.01 -0.17 112.91 115.68 1k6a h THR 105 Ca 0.05 -0.06 -0.10 0.00 0.77 0.00 0.00 66.41 67.07 1k6a h THR 105 Cb 0.73 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1k6a h THR 105 CO 0.06 0.03 -0.05 0.78 0.37 0.00 0.00 175.52 176.70 1k6a h ASN 106 N 0.18 0.95 -0.59 4.18 2.35 -0.96 -0.30 115.58 121.38 1k6a h ASN 106 Ca 0.05 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.50 1k6a h ASN 106 Cb -0.01 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 1k6a h ASN 106 CO -0.02 1.04 0.29 0.58 -1.65 0.00 0.00 177.43 177.68 1k6a h VAL 107 N 0.88 1.20 -0.17 2.81 2.07 -0.93 -0.61 116.25 121.50 1k6a h VAL 107 Ca 0.15 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1k6a h VAL 107 Cb 0.59 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1k6a h VAL 107 CO 0.04 0.23 0.06 -0.03 0.02 0.00 0.00 177.57 177.89 1k6a h MET 108 N 0.80 0.25 -0.65 1.57 1.85 -0.73 -0.75 114.93 117.27 1k6a h MET 108 Ca 0.20 -0.05 0.01 0.00 -0.61 0.00 0.00 59.70 59.26 1k6a h MET 108 Cb 0.10 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.05 1k6a h MET 108 CO -0.03 0.34 0.42 0.87 -0.40 0.00 0.00 176.91 178.12 1k6a h LYS 109 N 0.11 0.84 -0.63 0.39 1.57 -0.94 -1.56 116.57 116.34 1k6a h LYS 109 Ca 0.06 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1k6a h LYS 109 Cb 0.19 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1k6a h LYS 109 CO -0.00 0.55 0.08 -0.97 -0.57 0.00 0.00 179.45 178.54 1k6a h ASN 110 N 0.86 1.01 -0.08 0.86 -1.24 -0.91 0.21 115.58 116.29 1k6a h ASN 110 Ca 0.24 -0.24 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1k6a h ASN 110 Cb -0.08 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 38.70 1k6a h ASN 110 CO -0.06 1.02 0.05 -0.74 -1.29 0.00 0.00 177.43 176.40 1k6a h HIS 111 N 0.98 0.11 0.03 0.67 2.76 -0.85 -0.61 115.15 118.24 1k6a h HIS 111 Ca 0.19 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.38 1k6a h HIS 111 Cb 0.45 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.35 1k6a h HIS 111 CO 0.03 0.12 -0.15 0.82 -1.30 0.00 0.00 177.93 177.45 1k6a h ILE 112 N 0.06 0.63 -0.65 6.26 2.04 -1.08 -2.67 117.51 122.10 1k6a h ILE 112 Ca 0.03 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.83 1k6a h ILE 112 Cb 0.05 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1k6a h ILE 112 CO -0.01 0.00 0.18 0.74 0.00 0.00 0.00 178.15 179.07 1k6a h THR 113 N -0.27 1.25 -0.17 -0.27 2.02 -0.82 -1.57 112.91 113.09 1k6a h THR 113 Ca 0.04 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 66.30 1k6a h THR 113 Cb 0.32 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1k6a h THR 113 CO -0.13 0.34 -0.00 0.74 0.37 0.00 0.00 175.52 176.84 1k6a h THR 114 N 0.95 1.26 -0.18 3.16 2.02 -1.09 -0.11 112.91 118.92 1k6a h THR 114 Ca 0.21 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1k6a h THR 114 Cb 0.33 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1k6a h THR 114 CO -0.00 0.26 0.09 -0.07 0.37 0.00 0.00 175.52 176.16 1k6a h LEU 115 N 0.04 0.23 -0.70 2.58 -0.00 -1.40 -2.66 115.31 113.42 1k6a h LEU 115 Ca 0.05 -0.11 -0.13 0.00 -0.00 0.00 0.00 57.88 57.68 1k6a h LEU 115 Cb 0.39 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 40.98 1k6a h LEU 115 CO 0.01 0.28 -0.41 0.24 -0.00 0.00 0.00 178.44 178.56 1k6a h MET 116 N 0.17 0.53 -0.14 1.13 2.86 -1.21 -3.06 114.93 115.21 1k6a h MET 116 Ca 0.06 -0.27 -0.13 0.00 -2.06 0.00 0.00 59.70 57.30 1k6a h MET 116 Cb 0.11 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1k6a h MET 116 CO -0.01 0.85 -0.48 1.15 1.06 0.00 0.00 176.91 179.48 1k6a h THR 117 N 0.43 1.33 -0.91 2.22 2.02 -0.99 -2.14 112.91 114.87 1k6a h THR 117 Ca 0.04 -1.69 0.04 0.00 0.77 0.00 0.00 66.41 65.56 1k6a h THR 117 Cb 0.90 1.75 -0.05 0.00 -1.74 0.00 0.00 68.15 69.01 1k6a h THR 117 CO 0.08 0.51 0.60 -0.09 0.37 0.00 0.00 175.52 176.99 1k6a h ARG 118 N 0.29 1.09 -0.39 6.66 2.43 -1.36 -2.59 114.38 120.50 1k6a h ARG 118 Ca 0.02 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 1k6a h ARG 118 Cb 0.95 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 1k6a h ARG 118 CO 0.08 0.72 0.04 0.66 -1.51 0.00 0.00 179.97 179.96 1k6a n TYR 119 N -4.45 1.35 -1.66 2.20 4.01 -1.13 -5.03 117.16 112.45 1k6a n TYR 119 Ca 0.12 -1.03 -0.48 0.00 -0.16 0.00 0.00 57.90 56.36 1k6a n TYR 119 Cb 0.12 -0.43 -0.05 0.00 -0.31 0.00 0.00 39.34 38.68 1k6a n TYR 119 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1k6a n LYS 120 N -0.43 1.92 -0.44 -0.72 4.81 -0.82 -0.88 118.16 121.60 1k6a n LYS 120 Ca 0.27 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.41 1k6a n LYS 120 Cb 1.04 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 33.63 1k6a n LYS 120 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1k6a n GLY 121 N 3.50 1.75 0.19 3.14 0.00 -1.26 -4.87 105.19 107.64 1k6a n GLY 121 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 1k6a n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k6a n LYS 122 N -2.00 1.02 -4.04 1.61 5.02 -0.06 -4.94 118.16 114.77 1k6a n LYS 122 Ca 0.00 -0.39 -0.34 0.00 -2.02 0.00 0.00 58.31 55.56 1k6a n LYS 122 Cb 0.00 -1.40 -0.15 0.00 -0.02 0.00 0.00 35.03 33.46 1k6a n LYS 122 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1k6a s ILE 123 N -2.57 2.48 0.15 -0.18 -1.09 -1.25 -4.59 121.20 114.16 1k6a s ILE 123 Ca 0.11 -0.92 -0.12 0.00 -2.23 0.00 0.00 60.65 57.48 1k6a s ILE 123 Cb 0.15 -2.14 0.03 0.00 -1.58 0.00 0.00 42.46 38.92 1k6a s ILE 123 CO 0.66 0.41 1.63 -0.09 -1.23 0.00 0.00 174.94 176.32 1k6a h ARG 124 N 7.97 0.85 -2.98 2.79 2.43 -1.60 -3.39 114.38 120.45 1k6a h ARG 124 Ca -0.40 -0.24 -0.12 0.00 -0.81 0.00 0.00 59.98 58.41 1k6a h ARG 124 Cb 1.13 -0.09 -0.21 0.00 -0.42 0.00 0.00 29.97 30.38 1k6a h ARG 124 CO 0.61 0.85 -0.27 0.00 -1.51 0.00 0.00 179.97 179.65 1k6a s ALA 125 N -5.15 -0.82 -0.05 2.80 0.00 -1.23 -1.10 121.76 116.21 1k6a s ALA 125 Ca -0.13 0.46 0.06 0.00 0.00 0.00 0.00 51.96 52.36 1k6a s ALA 125 Cb 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 1k6a s ALA 125 CO 0.81 -0.25 -0.24 -1.58 0.00 0.00 0.00 175.76 174.51 1k6a s TRP 126 N -1.06 2.29 -0.84 0.00 0.52 -0.08 -0.54 118.94 119.22 1k6a s TRP 126 Ca -0.11 -0.64 -0.25 0.00 0.02 0.00 0.00 56.10 55.12 1k6a s TRP 126 Cb -0.05 -1.50 0.04 0.00 -1.15 0.00 0.00 33.47 30.81 1k6a s TRP 126 CO 0.04 -0.18 1.35 -0.51 0.02 0.00 0.00 176.95 177.67 1k6a s ASP 127 N -0.20 6.28 -0.05 2.95 1.01 -0.07 -0.74 116.67 125.83 1k6a s ASP 127 Ca -0.01 -0.82 -0.25 0.00 0.71 0.00 0.00 52.55 52.18 1k6a s ASP 127 Cb -0.13 -2.56 -0.23 0.00 1.01 0.00 0.00 42.92 41.00 1k6a s ASP 127 CO 0.03 -1.72 1.02 0.58 0.21 0.00 0.00 175.17 175.29 1k6a h VAL 128 N 6.33 1.55 -3.46 -1.27 2.07 -1.42 -2.24 116.25 117.81 1k6a h VAL 128 Ca -0.10 -1.93 -0.59 0.00 0.82 0.00 0.00 66.70 64.90 1k6a h VAL 128 Cb 1.04 2.77 -0.33 0.00 -1.52 0.00 0.00 31.29 33.25 1k6a h VAL 128 CO 1.34 0.53 -0.85 -0.69 0.02 0.00 0.00 177.57 177.92 1k6a s VAL 129 N -3.13 1.57 -0.09 2.57 1.01 -1.22 -1.06 120.40 120.06 1k6a s VAL 129 Ca -0.16 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.12 1k6a s VAL 129 Cb 0.01 -1.38 -0.00 0.00 0.00 0.00 0.00 36.38 35.00 1k6a s VAL 129 CO 0.74 0.45 -0.24 0.21 0.00 0.00 0.00 175.10 176.26 1k6a s ASN 130 N 0.44 3.15 -1.29 3.32 2.47 -0.60 -1.64 114.94 120.79 1k6a s ASN 130 Ca -0.15 -0.53 -0.03 0.00 0.42 0.00 0.00 52.86 52.58 1k6a s ASN 130 Cb -0.16 -1.22 0.01 0.00 -1.45 0.00 0.00 41.25 38.43 1k6a s ASN 130 CO 0.06 0.19 0.93 -0.62 -3.72 0.00 0.00 177.10 173.94 1k6a n GLU 131 N 3.31 -6.19 0.04 0.43 1.02 -0.06 -4.61 120.64 114.58 1k6a n GLU 131 Ca -0.18 0.75 0.13 0.00 -0.02 0.00 0.00 57.16 57.84 1k6a n GLU 131 Cb 0.53 -5.62 0.49 0.00 -0.02 0.00 0.00 31.44 26.82 1k6a n GLU 131 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k6a n ALA 132 N -4.37 2.43 -2.63 0.62 0.00 -1.26 -4.85 120.51 110.45 1k6a n ALA 132 Ca -0.21 -0.10 -0.33 0.00 0.00 0.00 0.00 53.44 52.80 1k6a n ALA 132 Cb 0.64 -1.43 -0.10 0.00 0.00 0.00 0.00 19.45 18.56 1k6a n ALA 132 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1k6a s PHE 133 N -3.05 2.99 0.79 0.00 0.40 -1.26 -0.59 117.98 117.27 1k6a s PHE 133 Ca 0.12 0.04 -0.12 0.00 -0.60 0.00 0.00 56.93 56.38 1k6a s PHE 133 Cb 0.16 -1.67 0.07 0.00 0.51 0.00 0.00 43.02 42.09 1k6a s PHE 133 CO 0.58 0.41 1.12 -0.80 0.70 0.00 0.00 175.22 177.22 1k6a s ASN 134 N -1.28 4.58 0.48 1.36 0.01 0.65 -4.65 114.94 116.10 1k6a s ASN 134 Ca 0.17 1.11 0.21 0.00 -0.71 0.00 0.00 52.86 53.64 1k6a s ASN 134 Cb -0.11 -1.80 1.22 0.00 0.41 0.00 0.00 41.25 40.97 1k6a s ASN 134 CO 0.07 -1.89 2.02 -0.33 -1.51 0.00 0.00 177.10 175.46 1k6a h GLU 135 N -1.04 0.00 -0.07 -0.60 4.39 -1.99 -1.34 114.58 113.93 1k6a h GLU 135 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1k6a h GLU 135 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1k6a h GLU 135 CO 0.62 0.16 0.00 -0.40 -1.16 0.00 0.00 179.01 178.23 1k6a n ASP 136 N -3.95 0.94 0.00 1.42 5.68 -1.26 -3.28 116.55 116.10 1k6a n ASP 136 Ca -0.02 -1.51 0.00 0.00 -0.50 0.00 0.00 54.79 52.76 1k6a n ASP 136 Cb 0.25 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 1k6a n ASP 136 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k6a n GLY 137 N 1.02 1.30 3.81 6.12 0.00 -0.50 -4.70 105.19 112.22 1k6a n GLY 137 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1k6a n GLY 137 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k6a s SER 138 N -3.03 4.21 0.15 1.61 1.04 -1.26 -4.77 113.70 111.66 1k6a s SER 138 Ca 0.00 1.16 -0.30 0.00 0.48 0.00 0.00 55.95 57.29 1k6a s SER 138 Cb 0.00 -1.84 -0.07 0.00 0.10 0.00 0.00 66.02 64.21 1k6a s SER 138 CO 0.00 -2.13 0.96 -0.76 0.98 0.00 0.00 173.24 172.29 1k6a s LEU 139 N -5.83 4.55 0.17 2.42 1.43 -1.26 -0.25 118.68 119.90 1k6a s LEU 139 Ca 0.62 1.85 -0.31 0.00 -1.03 0.00 0.00 54.13 55.25 1k6a s LEU 139 Cb -0.14 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.38 1k6a s LEU 139 CO 0.54 0.00 1.55 -0.60 0.23 0.00 0.00 176.35 178.07 1k6a s ARG 140 N -0.39 4.22 -1.05 1.70 3.52 0.24 -4.66 118.95 122.53 1k6a s ARG 140 Ca 0.45 2.35 -0.20 0.00 -0.13 0.00 0.00 55.73 58.20 1k6a s ARG 140 Cb -0.24 -3.15 0.10 0.00 -1.56 0.00 0.00 34.95 30.09 1k6a s ARG 140 CO 0.31 -0.58 1.38 -0.65 -0.81 0.00 0.00 175.30 174.94 1k6a s GLN 141 N 0.98 3.71 0.46 5.12 -0.21 -1.26 -4.74 119.66 123.72 1k6a s GLN 141 Ca 0.69 -1.64 0.08 0.00 0.02 0.00 0.00 55.36 54.51 1k6a s GLN 141 Cb -0.43 -5.20 0.02 0.00 1.00 0.00 0.00 33.01 28.40 1k6a s GLN 141 CO 0.32 -2.01 0.58 0.95 -2.12 0.00 0.00 175.29 173.01 1k6a s THR 142 N 3.67 2.67 0.38 -0.19 -4.23 -1.26 -4.86 115.64 111.82 1k6a s THR 142 Ca 0.42 -1.09 0.07 0.00 -1.18 0.00 0.00 61.69 59.91 1k6a s THR 142 Cb -0.01 -2.76 0.29 0.00 1.34 0.00 0.00 72.50 71.36 1k6a s THR 142 CO -0.06 0.00 1.99 1.62 -0.54 0.00 0.00 174.62 177.63 1k6a h VAL 143 N 0.61 1.04 -0.20 2.29 3.04 -1.96 0.11 116.25 121.17 1k6a h VAL 143 Ca -0.38 -0.23 -0.02 0.00 -1.01 0.00 0.00 66.70 65.06 1k6a h VAL 143 Cb 1.28 0.30 -0.01 0.00 -2.01 0.00 0.00 31.29 30.85 1k6a h VAL 143 CO 0.47 0.12 0.04 -0.26 -1.01 0.00 0.00 177.57 176.93 1k6a h PHE 144 N 0.68 0.35 -0.50 3.17 0.04 -1.95 -1.31 116.94 117.41 1k6a h PHE 144 Ca 0.27 -0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.93 1k6a h PHE 144 Cb 0.20 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 1k6a h PHE 144 CO -0.00 0.46 0.09 1.25 -0.60 0.00 0.00 178.31 179.51 1k6a h LEU 145 N 0.13 0.79 -0.76 1.54 5.85 -1.64 -1.02 115.31 120.20 1k6a h LEU 145 Ca 0.06 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.42 1k6a h LEU 145 Cb 0.30 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1k6a h LEU 145 CO 0.00 0.84 -0.21 0.78 -0.34 0.00 0.00 178.44 179.51 1k6a h ASN 146 N 0.71 0.72 0.03 1.25 2.35 -0.66 -0.55 115.58 119.42 1k6a h ASN 146 Ca 0.15 -0.25 -0.38 0.00 -0.55 0.00 0.00 56.30 55.28 1k6a h ASN 146 Cb 0.38 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.50 1k6a h ASN 146 CO 0.01 0.92 -2.19 0.52 -1.65 0.00 0.00 177.43 175.04 1k6a n VAL 147 N -4.12 1.58 0.01 2.81 0.31 -0.51 -4.53 118.33 113.88 1k6a n VAL 147 Ca 0.00 -0.47 -0.14 0.00 -0.01 0.00 0.00 64.34 63.72 1k6a n VAL 147 Cb 0.42 -1.70 -0.14 0.00 -0.91 0.00 0.00 33.84 31.50 1k6a n VAL 147 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1k6a h ILE 148 N -0.37 0.85 0.00 2.52 2.04 -1.32 -3.40 117.51 117.83 1k6a h ILE 148 Ca -0.54 -2.62 0.00 0.00 1.00 0.00 0.00 64.86 62.71 1k6a h ILE 148 Cb 1.78 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 40.38 1k6a h ILE 148 CO -0.14 0.70 0.00 0.61 0.00 0.00 0.00 178.15 179.32 1k6a n GLY 149 N 1.72 -3.62 0.37 5.37 0.00 -0.21 -4.62 105.19 104.20 1k6a n GLY 149 Ca -0.21 -2.01 0.19 0.00 0.00 0.00 0.00 46.02 43.99 1k6a n GLY 149 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1k6a h GLU 150 N 0.00 0.00 0.00 1.61 5.08 -1.89 -1.45 114.58 117.92 1k6a h GLU 150 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1k6a h GLU 150 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1k6a h GLU 150 CO 0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 1k6a n ASP 151 N -3.98 0.21 0.07 1.42 8.00 -1.26 -2.94 116.55 118.07 1k6a n ASP 151 Ca 0.06 0.57 0.08 0.00 0.71 0.00 0.00 54.79 56.21 1k6a n ASP 151 Cb 0.51 -0.60 0.53 0.00 -0.02 0.00 0.00 41.12 41.53 1k6a n ASP 151 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 1k6a h TYR 152 N 0.00 0.29 0.48 1.24 -0.00 -1.54 -1.08 116.97 116.36 1k6a h TYR 152 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 58.73 58.71 1k6a h TYR 152 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 36.73 36.81 1k6a h TYR 152 CO 0.00 0.17 -0.23 0.82 -0.00 0.00 0.00 178.16 178.92 1k6a h ILE 153 N 0.30 0.29 -0.76 -0.90 2.04 -1.80 -0.64 117.51 116.04 1k6a h ILE 153 Ca 0.13 -0.52 0.15 0.00 1.00 0.00 0.00 64.86 65.62 1k6a h ILE 153 Cb 0.15 0.43 -0.10 0.00 -0.74 0.00 0.00 36.82 36.57 1k6a h ILE 153 CO -0.03 0.05 0.29 -0.65 0.00 0.00 0.00 178.15 177.82 1k6a h PRO 154 N -1.04 0.41 -0.46 2.37 0.11 -1.73 -1.98 132.00 129.68 1k6a h PRO 154 Ca -0.07 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 1k6a h PRO 154 Cb 0.58 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 1k6a h PRO 154 CO 0.11 0.27 0.26 0.82 -0.21 0.00 0.00 178.00 179.24 1k6a h ILE 155 N 0.42 1.16 -0.31 4.15 2.04 -1.15 -0.68 117.51 123.14 1k6a h ILE 155 Ca 0.43 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1k6a h ILE 155 Cb 0.67 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1k6a h ILE 155 CO -0.43 0.17 0.20 0.00 0.00 0.00 0.00 178.15 178.09 1k6a h ALA 156 N 1.10 0.39 -0.38 1.87 0.00 -0.60 -1.03 119.26 120.61 1k6a h ALA 156 Ca 0.16 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1k6a h ALA 156 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1k6a h ALA 156 CO -0.03 -0.15 -0.07 0.74 0.00 0.00 0.00 179.25 179.74 1k6a h PHE 157 N 0.41 0.79 -0.70 0.00 0.04 -1.14 -1.67 116.94 114.67 1k6a h PHE 157 Ca 0.11 -0.16 -0.04 0.00 2.80 0.00 0.00 57.97 60.68 1k6a h PHE 157 Cb -0.04 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 37.88 1k6a h PHE 157 CO -0.06 0.84 0.26 1.96 -0.60 0.00 0.00 178.31 180.71 1k6a h GLN 158 N 0.51 1.05 -0.46 1.51 4.20 -0.99 -1.50 115.11 119.43 1k6a h GLN 158 Ca 0.10 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 1k6a h GLN 158 Cb 0.57 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1k6a h GLN 158 CO 0.03 0.87 0.09 1.15 -0.67 0.00 0.00 178.83 180.30 1k6a h THR 159 N 1.02 1.24 -0.50 -0.54 2.02 -1.09 -2.71 112.91 112.35 1k6a h THR 159 Ca 0.23 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1k6a h THR 159 Cb 0.23 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1k6a h THR 159 CO -0.02 0.31 0.26 0.00 0.37 0.00 0.00 175.52 176.44 1k6a h ALA 160 N 0.96 0.64 -0.86 6.16 0.00 -1.04 -1.88 119.26 123.24 1k6a h ALA 160 Ca 0.14 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1k6a h ALA 160 Cb 0.36 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1k6a h ALA 160 CO 0.01 0.18 0.55 -0.09 0.00 0.00 0.00 179.25 179.90 1k6a h ARG 161 N 0.66 1.05 -0.34 0.00 9.65 -1.19 -2.29 114.38 121.92 1k6a h ARG 161 Ca 0.17 -0.06 -0.10 0.00 -1.10 0.00 0.00 59.98 58.89 1k6a h ARG 161 Cb 0.08 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.41 1k6a h ARG 161 CO -0.03 0.69 -0.20 0.00 2.80 0.00 0.00 179.97 183.24 1k6a h ALA 162 N 1.35 1.01 -0.32 2.80 0.00 -1.23 -2.67 119.26 120.21 1k6a h ALA 162 Ca 0.34 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1k6a h ALA 162 Cb -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1k6a h ALA 162 CO -0.11 0.59 -0.49 0.00 0.00 0.00 0.00 179.25 179.24 1k6a h ALA 163 N 1.21 0.52 -1.79 0.00 0.00 -0.84 -3.41 119.26 114.95 1k6a h ALA 163 Ca 0.09 -0.49 -0.31 0.00 0.00 0.00 0.00 54.91 54.19 1k6a h ALA 163 Cb 0.66 -0.09 -0.29 0.00 0.00 0.00 0.00 17.79 18.07 1k6a h ALA 163 CO 0.05 0.68 -0.64 0.34 0.00 0.00 0.00 179.25 179.68 1k6a s ASP 164 N -6.91 0.71 0.00 0.00 -1.08 -0.91 -4.56 116.67 103.92 1k6a s ASP 164 Ca -0.11 -1.38 0.15 0.00 -0.52 0.00 0.00 52.55 50.69 1k6a s ASP 164 Cb 0.11 0.81 0.78 0.00 -1.46 0.00 0.00 42.92 43.16 1k6a s ASP 164 CO 0.89 -0.25 1.42 -0.81 0.52 0.00 0.00 175.17 176.94 1k6a n PRO 165 N 4.34 0.24 0.13 4.34 -0.04 -1.01 -2.39 135.00 140.61 1k6a n PRO 165 Ca 0.10 0.13 -0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1k6a n PRO 165 Cb 0.47 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.55 1k6a n PRO 165 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1k6a h ASN 166 N 0.00 0.00 -3.93 3.54 2.35 -1.95 -3.46 115.58 112.13 1k6a h ASN 166 Ca 0.00 0.00 -0.46 0.00 -0.55 0.00 0.00 56.30 55.29 1k6a h ASN 166 Cb 0.13 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1k6a h ASN 166 CO 0.00 0.63 0.34 0.00 -1.65 0.00 0.00 177.43 176.74 1k6a s ALA 167 N -3.27 3.16 0.03 -0.83 0.00 -1.01 -4.96 121.76 114.88 1k6a s ALA 167 Ca 0.01 0.47 -0.26 0.00 0.00 0.00 0.00 51.96 52.17 1k6a s ALA 167 Cb 0.11 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 1k6a s ALA 167 CO 0.75 0.17 0.82 0.15 0.00 0.00 0.00 175.76 177.65 1k6a s LYS 168 N -2.43 4.53 -0.25 0.00 -0.14 -0.26 -4.92 119.74 116.27 1k6a s LYS 168 Ca 0.54 1.16 -0.08 0.00 -1.36 0.00 0.00 55.97 56.23 1k6a s LYS 168 Cb -0.15 -3.40 -0.03 0.00 -1.68 0.00 0.00 37.83 32.57 1k6a s LYS 168 CO 0.20 0.17 0.08 -0.51 -0.76 0.00 0.00 175.35 174.53 1k6a s LEU 169 N 0.30 3.50 0.06 3.17 1.43 -1.26 -0.91 118.68 124.97 1k6a s LEU 169 Ca 0.42 -0.18 0.06 0.00 -1.03 0.00 0.00 54.13 53.40 1k6a s LEU 169 Cb -0.21 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 1k6a s LEU 169 CO 0.24 -0.03 -0.11 -0.31 0.23 0.00 0.00 176.35 176.37 1k6a s TYR 170 N 1.59 2.74 -0.13 0.29 1.51 0.08 -0.63 117.35 122.80 1k6a s TYR 170 Ca 0.06 -0.15 -0.10 0.00 -1.01 0.00 0.00 57.07 55.88 1k6a s TYR 170 Cb -0.15 -1.49 -0.05 0.00 -0.11 0.00 0.00 41.96 40.16 1k6a s TYR 170 CO 0.04 0.37 0.20 -1.50 -1.11 0.00 0.00 175.55 173.55 1k6a s ILE 171 N -1.07 5.38 -0.01 2.71 2.07 -0.83 -1.08 121.20 128.37 1k6a s ILE 171 Ca 0.18 0.35 0.05 0.00 -1.41 0.00 0.00 60.65 59.83 1k6a s ILE 171 Cb -0.11 -3.50 -0.01 0.00 0.13 0.00 0.00 42.46 38.97 1k6a s ILE 171 CO 0.10 0.53 -0.16 0.21 -1.91 0.00 0.00 174.94 173.71 1k6a s ASN 172 N -0.46 1.94 0.24 4.50 2.47 -0.65 -0.28 114.94 122.69 1k6a s ASN 172 Ca 0.15 -0.30 -0.20 0.00 0.42 0.00 0.00 52.86 52.93 1k6a s ASN 172 Cb -0.13 -0.23 0.03 0.00 -1.45 0.00 0.00 41.25 39.47 1k6a s ASN 172 CO 0.04 0.20 0.64 -0.62 -3.72 0.00 0.00 177.10 173.63 1k6a s ASP 173 N -0.36 -0.29 0.41 -4.21 -1.08 -0.68 -0.88 116.67 109.59 1k6a s ASP 173 Ca 0.06 -0.52 0.07 0.00 -0.52 0.00 0.00 52.55 51.64 1k6a s ASP 173 Cb -0.07 0.66 -0.04 0.00 -1.46 0.00 0.00 42.92 42.01 1k6a s ASP 173 CO -0.00 -1.21 0.23 -0.72 0.52 0.00 0.00 175.17 173.99 1k6a s TYR 174 N -3.89 2.64 -1.47 -5.34 -0.85 -1.26 -0.39 117.35 106.79 1k6a s TYR 174 Ca 0.10 -0.56 -0.12 0.00 -0.52 0.00 0.00 57.07 55.98 1k6a s TYR 174 Cb -0.04 -2.01 0.06 0.00 0.38 0.00 0.00 41.96 40.35 1k6a s TYR 174 CO 0.02 0.10 1.05 0.09 -1.52 0.00 0.00 175.55 175.29 1k6a n ASN 175 N -1.32 -5.45 -2.15 -0.18 5.03 -1.26 -4.91 115.26 105.03 1k6a n ASN 175 Ca 0.00 -0.68 -0.28 0.00 0.87 0.00 0.00 54.58 54.49 1k6a n ASN 175 Cb 0.64 -4.32 0.09 0.00 -1.02 0.00 0.00 39.78 35.17 1k6a n ASN 175 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1k6a n LEU 176 N -4.79 6.70 -0.30 3.41 4.77 -1.26 -4.46 117.00 121.07 1k6a n LEU 176 Ca 0.03 -4.24 0.08 0.00 -0.03 0.00 0.00 56.01 51.85 1k6a n LEU 176 Cb 0.54 -0.80 -0.02 0.00 -2.33 0.00 0.00 43.42 40.80 1k6a n LEU 176 CO 0.71 1.52 0.20 0.47 -1.33 0.00 0.00 177.39 178.96 1k6a n ASP 177 N -0.93 1.48 -4.04 -1.43 10.43 -1.26 -4.75 116.55 116.05 1k6a n ASP 177 Ca 0.56 -1.24 -0.23 0.00 2.57 0.00 0.00 54.79 56.45 1k6a n ASP 177 Cb 0.90 0.59 -0.16 0.00 1.84 0.00 0.00 41.12 44.29 1k6a n ASP 177 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 1k6a s SER 178 N -2.12 1.63 0.47 -2.24 0.15 -1.26 -3.15 113.70 107.18 1k6a s SER 178 Ca 0.12 -0.26 0.22 0.00 0.70 0.00 0.00 55.95 56.73 1k6a s SER 178 Cb 0.13 -0.56 1.18 0.00 -1.71 0.00 0.00 66.02 65.07 1k6a s SER 178 CO 0.49 0.07 1.98 0.00 1.20 0.00 0.00 173.24 176.98 1k6a h ALA 179 N 6.57 1.31 -0.02 5.45 0.00 -1.84 -2.91 119.26 127.83 1k6a h ALA 179 Ca -0.33 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1k6a h ALA 179 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1k6a h ALA 179 CO 0.48 0.24 -0.12 0.43 0.00 0.00 0.00 179.25 180.28 1k6a n SER 180 N -3.77 1.65 -4.73 0.00 7.64 -1.26 -4.70 113.62 108.45 1k6a n SER 180 Ca -0.02 -1.40 -0.41 0.00 1.01 0.00 0.00 58.87 58.05 1k6a n SER 180 Cb 0.30 0.09 -0.04 0.00 -1.01 0.00 0.00 64.21 63.54 1k6a n SER 180 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1k6a s TYR 181 N -2.19 3.79 0.46 1.43 5.04 -1.10 -4.95 117.35 119.83 1k6a s TYR 181 Ca 0.31 1.78 0.14 0.00 -2.44 0.00 0.00 57.07 56.85 1k6a s TYR 181 Cb 0.20 -3.08 1.10 0.00 0.35 0.00 0.00 41.96 40.52 1k6a s TYR 181 CO 0.41 0.10 2.04 -1.35 -1.34 0.00 0.00 175.55 175.41 1k6a h PRO 182 N 5.50 0.28 -0.73 4.97 0.11 -1.90 -2.14 132.00 138.09 1k6a h PRO 182 Ca -0.43 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 1k6a h PRO 182 Cb 1.21 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1k6a h PRO 182 CO 0.72 0.19 0.27 -0.22 -0.21 0.00 0.00 178.00 178.74 1k6a h LYS 183 N 0.29 1.09 -0.20 1.05 3.64 -1.83 -1.10 116.57 119.52 1k6a h LYS 183 Ca 0.17 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1k6a h LYS 183 Cb 0.32 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1k6a h LYS 183 CO -0.04 0.90 0.10 1.15 -2.27 0.00 0.00 179.45 179.30 1k6a h THR 184 N 1.06 1.12 -0.27 1.00 2.02 -1.61 -1.73 112.91 114.51 1k6a h THR 184 Ca 0.24 -0.35 -0.13 0.00 0.77 0.00 0.00 66.41 66.94 1k6a h THR 184 Cb 0.24 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1k6a h THR 184 CO -0.02 0.12 -0.38 1.56 0.37 0.00 0.00 175.52 177.17 1k6a h GLN 185 N 0.21 0.62 -0.32 6.66 4.20 -1.41 -2.93 115.11 122.13 1k6a h GLN 185 Ca 0.07 -0.31 -0.04 0.00 0.06 0.00 0.00 58.65 58.43 1k6a h GLN 185 Cb 0.10 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1k6a h GLN 185 CO -0.01 0.90 0.03 0.00 -0.67 0.00 0.00 178.83 179.09 1k6a h ALA 186 N 1.06 0.43 -0.36 3.87 0.00 -0.96 -1.38 119.26 121.92 1k6a h ALA 186 Ca 0.05 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1k6a h ALA 186 Cb 0.89 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1k6a h ALA 186 CO 0.08 0.15 -0.08 0.97 0.00 0.00 0.00 179.25 180.36 1k6a h ILE 187 N 0.36 1.23 -0.12 0.00 2.10 -1.27 -0.69 117.51 119.13 1k6a h ILE 187 Ca 0.10 -1.02 0.00 0.00 1.08 0.00 0.00 64.86 65.02 1k6a h ILE 187 Cb 0.38 1.05 -0.01 0.00 -1.09 0.00 0.00 36.82 37.16 1k6a h ILE 187 CO 0.01 0.34 0.08 0.58 -1.08 0.00 0.00 178.15 178.08 1k6a h VAL 188 N 0.57 1.03 -0.56 2.19 2.07 -1.31 -0.89 116.25 119.35 1k6a h VAL 188 Ca 0.11 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 1k6a h VAL 188 Cb 0.48 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1k6a h VAL 188 CO 0.03 0.03 0.15 0.78 0.02 0.00 0.00 177.57 178.58 1k6a h ASN 189 N 0.16 0.84 -0.35 0.57 2.35 -0.85 -1.55 115.58 116.74 1k6a h ASN 189 Ca 0.04 -0.23 -0.14 0.00 -0.55 0.00 0.00 56.30 55.43 1k6a h ASN 189 Cb -0.01 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1k6a h ASN 189 CO -0.01 0.84 -0.33 0.03 -1.65 0.00 0.00 177.43 176.32 1k6a h ARG 190 N 0.79 0.84 -0.59 0.81 2.47 -1.04 -2.04 114.38 115.62 1k6a h ARG 190 Ca 0.18 -0.44 -0.04 0.00 -1.26 0.00 0.00 59.98 58.42 1k6a h ARG 190 Cb 0.32 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.63 1k6a h ARG 190 CO -0.00 1.08 0.23 0.28 0.56 0.00 0.00 179.97 182.11 1k6a h VAL 191 N 0.63 1.23 -0.52 2.04 2.07 -1.07 0.78 116.25 121.42 1k6a h VAL 191 Ca 0.06 -0.73 0.07 0.00 0.82 0.00 0.00 66.70 66.92 1k6a h VAL 191 Cb 0.91 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 1k6a h VAL 191 CO 0.08 0.28 0.19 0.11 0.02 0.00 0.00 177.57 178.26 1k6a h LYS 192 N 0.83 0.37 -0.38 1.57 1.57 -1.17 -0.26 116.57 119.10 1k6a h LYS 192 Ca 0.20 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.87 1k6a h LYS 192 Cb 0.22 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1k6a h LYS 192 CO -0.01 0.24 -0.11 1.96 -0.57 0.00 0.00 179.45 180.96 1k6a h GLN 193 N 0.38 0.74 -0.37 3.15 4.20 -0.96 -1.77 115.11 120.47 1k6a h GLN 193 Ca 0.25 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1k6a h GLN 193 Cb 0.27 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1k6a h GLN 193 CO -0.25 0.89 0.17 -1.49 -0.67 0.00 0.00 178.83 177.48 1k6a h TRP 194 N 0.54 0.54 -0.29 2.96 6.55 -0.57 -2.56 115.95 123.12 1k6a h TRP 194 Ca 0.09 -0.03 -0.08 0.00 0.95 0.00 0.00 58.89 59.82 1k6a h TRP 194 Cb 0.63 -0.17 -0.02 0.00 -0.86 0.00 0.00 29.16 28.75 1k6a h TRP 194 CO 0.05 0.47 -0.15 0.00 -1.05 0.00 0.00 178.44 177.76 1k6a h ARG 195 N 0.46 0.51 0.00 0.49 3.08 -0.98 -1.55 114.38 116.40 1k6a h ARG 195 Ca 0.13 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1k6a h ARG 195 Cb 0.14 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1k6a h ARG 195 CO -0.01 0.66 -0.09 0.00 -1.07 0.00 0.00 179.97 179.45 1k6a h ALA 196 N 1.37 1.52 -0.19 0.04 0.00 -1.04 -0.92 119.26 120.03 1k6a h ALA 196 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1k6a h ALA 196 Cb 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1k6a h ALA 196 CO 0.03 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.39 1k6a n ALA 197 N -2.37 2.51 -0.62 0.00 0.00 -0.67 -4.93 120.51 114.44 1k6a n ALA 197 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1k6a n ALA 197 Cb 0.18 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1k6a n ALA 197 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k6a n GLY 198 N 1.13 0.70 3.71 0.00 0.00 -0.35 -5.04 105.19 105.33 1k6a n GLY 198 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1k6a n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k6a s VAL 199 N -2.06 3.93 -1.34 1.61 1.01 -0.70 -4.93 120.40 117.93 1k6a s VAL 199 Ca 0.00 1.37 -0.16 0.00 0.00 0.00 0.00 61.98 63.20 1k6a s VAL 199 Cb 0.00 -3.88 0.08 0.00 0.00 0.00 0.00 36.38 32.58 1k6a s VAL 199 CO 0.00 0.09 1.86 -0.81 0.00 0.00 0.00 175.10 176.24 1k6a n PRO 200 N 4.17 3.15 -3.43 2.72 -0.04 -1.26 -4.30 135.00 136.00 1k6a n PRO 200 Ca 0.10 -3.16 -0.44 0.00 -0.04 0.00 0.00 63.50 59.96 1k6a n PRO 200 Cb 0.46 -3.34 -0.09 0.00 -0.04 0.00 0.00 33.50 30.49 1k6a n PRO 200 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1k6a s ILE 201 N 3.32 5.16 -0.20 0.52 1.01 -1.26 -4.74 121.20 125.01 1k6a s ILE 201 Ca 0.50 -0.93 0.18 0.00 0.00 0.00 0.00 60.65 60.40 1k6a s ILE 201 Cb 0.07 -4.01 0.02 0.00 0.01 0.00 0.00 42.46 38.55 1k6a s ILE 201 CO 0.01 -0.47 1.17 0.44 0.00 0.00 0.00 174.94 176.09 1k6a h ASP 202 N 8.68 0.00 -5.01 3.58 3.32 -1.22 -3.44 116.42 122.33 1k6a h ASP 202 Ca -0.28 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.67 1k6a h ASP 202 Cb 1.11 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.47 1k6a h ASP 202 CO 0.81 0.34 -0.26 -0.83 -1.72 0.00 0.00 179.24 177.59 1k6a s GLY 203 N -4.52 -0.15 -0.20 2.75 0.00 -0.72 -1.71 107.32 102.78 1k6a s GLY 203 Ca 0.01 0.23 -0.05 0.00 0.00 0.00 0.00 44.72 44.91 1k6a s GLY 203 CO 0.77 0.02 0.00 -0.42 0.00 0.00 0.00 173.10 173.47 1k6a s ILE 204 N -1.74 4.01 -0.19 0.90 1.01 -1.09 -1.97 121.20 122.12 1k6a s ILE 204 Ca -0.11 -0.30 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 1k6a s ILE 204 Cb -0.04 -2.81 -0.05 0.00 0.01 0.00 0.00 42.46 39.58 1k6a s ILE 204 CO 0.02 0.43 0.11 -0.83 0.00 0.00 0.00 174.94 174.67 1k6a s GLY 205 N 0.90 1.99 -0.30 6.18 0.00 0.62 -1.88 107.32 114.84 1k6a s GLY 205 Ca 0.01 -0.71 -0.04 0.00 0.00 0.00 0.00 44.72 43.98 1k6a s GLY 205 CO 0.02 0.11 0.03 -0.45 0.00 0.00 0.00 173.10 172.81 1k6a s SER 206 N 0.36 4.94 0.18 1.64 0.15 -0.35 -1.68 113.70 118.94 1k6a s SER 206 Ca 0.06 -1.03 -0.13 0.00 0.70 0.00 0.00 55.95 55.55 1k6a s SER 206 Cb -0.11 -1.78 0.12 0.00 -1.71 0.00 0.00 66.02 62.53 1k6a s SER 206 CO -0.01 -0.24 1.82 1.56 1.20 0.00 0.00 173.24 177.57 1k6a h GLN 207 N 8.11 0.62 -4.65 5.44 4.20 -1.02 -1.25 115.11 126.56 1k6a h GLN 207 Ca -0.26 -0.04 -0.21 0.00 0.06 0.00 0.00 58.65 58.20 1k6a h GLN 207 Cb 1.09 -0.14 0.13 0.00 0.30 0.00 0.00 27.48 28.86 1k6a h GLN 207 CO 0.58 0.41 -0.57 2.41 -0.67 0.00 0.00 178.83 180.98 1k6a n THR 208 N -4.79 -5.20 -2.85 -0.54 -1.04 -1.26 -1.28 114.28 97.32 1k6a n THR 208 Ca 0.04 -0.58 -0.43 0.00 -2.04 0.00 0.00 64.05 61.05 1k6a n THR 208 Cb 0.09 -4.73 -0.03 0.00 -1.82 0.00 0.00 70.33 63.83 1k6a n THR 208 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1k6a s HIS 209 N -3.26 2.82 0.10 -1.42 3.76 -1.26 -2.71 115.29 113.31 1k6a s HIS 209 Ca 0.12 -0.88 0.02 0.00 -0.15 0.00 0.00 55.06 54.17 1k6a s HIS 209 Cb -0.02 -4.33 -0.04 0.00 1.11 0.00 0.00 32.58 29.31 1k6a s HIS 209 CO 0.52 -1.62 0.20 -0.51 -0.85 0.00 0.00 174.74 172.48 1k6a s LEU 210 N 3.67 4.20 0.52 0.89 1.43 -0.43 -4.91 118.68 124.05 1k6a s LEU 210 Ca 0.28 0.15 -0.00 0.00 -1.03 0.00 0.00 54.13 53.54 1k6a s LEU 210 Cb -0.11 -2.81 0.02 0.00 0.03 0.00 0.00 46.19 43.32 1k6a s LEU 210 CO 0.01 0.13 0.75 -0.44 0.23 0.00 0.00 176.35 177.03 1k6a s SER 211 N -2.74 5.53 0.26 2.29 0.01 -1.26 -1.31 113.70 116.48 1k6a s SER 211 Ca 0.33 0.20 -0.31 0.00 1.31 0.00 0.00 55.95 57.49 1k6a s SER 211 Cb -0.12 -1.25 -0.12 0.00 0.21 0.00 0.00 66.02 64.74 1k6a s SER 211 CO 0.27 -0.96 1.55 0.00 0.41 0.00 0.00 173.24 174.50 1k6a n ALA 212 N -2.27 2.04 -0.42 1.44 0.00 -1.24 -1.96 120.51 118.10 1k6a n ALA 212 Ca 0.05 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1k6a n ALA 212 Cb 0.59 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1k6a n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k6a n GLY 213 N 2.43 1.53 0.02 0.00 0.00 -1.26 -4.92 105.19 102.99 1k6a n GLY 213 Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.26 1k6a n GLY 213 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k6a n GLN 214 N -2.00 0.15 -0.19 1.61 6.02 -0.83 -3.82 117.38 118.33 1k6a n GLN 214 Ca 0.00 -0.04 0.05 0.00 -0.01 0.00 0.00 57.00 57.00 1k6a n GLN 214 Cb 0.00 -1.50 0.33 0.00 1.02 0.00 0.00 30.24 30.09 1k6a n GLN 214 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1k6a h GLY 215 N 4.99 1.00 0.91 1.08 0.00 -1.81 -2.78 103.07 106.46 1k6a h GLY 215 Ca 0.00 -0.32 0.06 0.00 0.00 0.00 0.00 47.33 47.06 1k6a h GLY 215 CO 0.00 0.25 0.57 0.00 0.00 0.00 0.00 176.54 177.37 1k6a h ALA 216 N 1.59 1.52 0.00 3.60 0.00 -1.88 -1.66 119.26 122.43 1k6a h ALA 216 Ca 0.31 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1k6a h ALA 216 Cb 0.19 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1k6a h ALA 216 CO -0.10 0.35 -0.13 0.78 0.00 0.00 0.00 179.25 180.16 1k6a h GLY 217 N 1.01 0.00 2.00 0.00 0.00 -1.73 -2.66 103.07 101.68 1k6a h GLY 217 Ca 0.37 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.66 1k6a h GLY 217 CO -0.13 0.00 -0.20 -2.08 0.00 0.00 0.00 176.54 174.13 1k6a h VAL 218 N 0.00 0.98 -0.25 4.60 2.07 -1.24 -1.06 116.25 121.34 1k6a h VAL 218 Ca -0.00 -0.73 0.05 0.00 0.82 0.00 0.00 66.70 66.84 1k6a h VAL 218 Cb 0.55 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1k6a h VAL 218 CO 0.02 0.20 0.18 -0.07 0.02 0.00 0.00 177.57 177.91 1k6a h LEU 219 N 0.00 0.10 0.00 2.57 3.38 -1.56 -1.13 115.31 118.67 1k6a h LEU 219 Ca -0.00 -0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1k6a h LEU 219 Cb 0.40 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 1k6a h LEU 219 CO 0.03 0.07 -2.28 0.00 0.09 0.00 0.00 178.44 176.35 1k6a n GLN 220 N -4.48 0.68 -0.06 1.13 3.00 -0.72 -4.47 117.38 112.46 1k6a n GLN 220 Ca 0.02 0.01 -0.16 0.00 -0.01 0.00 0.00 57.00 56.87 1k6a n GLN 220 Cb 0.25 -1.55 -0.05 0.00 0.00 0.00 0.00 30.24 28.89 1k6a n GLN 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1k6a h ALA 221 N 1.08 0.42 -0.50 -1.58 0.00 -0.93 -3.06 119.26 114.68 1k6a h ALA 221 Ca -0.48 -0.55 -0.09 0.00 0.00 0.00 0.00 54.91 53.79 1k6a h ALA 221 Cb 2.12 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.84 1k6a h ALA 221 CO 0.03 0.68 -0.05 1.25 0.00 0.00 0.00 179.25 181.16 1k6a h LEU 222 N 0.63 0.92 -1.48 0.00 5.85 -1.45 -0.76 115.31 119.01 1k6a h LEU 222 Ca -0.01 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.42 1k6a h LEU 222 Cb 1.24 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 1k6a h LEU 222 CO 0.14 1.03 0.39 -0.65 -0.34 0.00 0.00 178.44 179.01 1k6a h PRO 223 N 0.79 0.65 -0.20 5.25 0.11 -1.78 -1.22 132.00 135.59 1k6a h PRO 223 Ca 0.14 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 1k6a h PRO 223 Cb 0.60 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 1k6a h PRO 223 CO 0.04 0.43 0.08 1.25 -0.21 0.00 0.00 178.00 179.58 1k6a h LEU 224 N 0.67 0.28 -0.97 2.35 5.85 -1.26 -2.21 115.31 120.02 1k6a h LEU 224 Ca 0.24 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.86 1k6a h LEU 224 Cb 0.12 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 1k6a h LEU 224 CO -0.07 0.37 0.62 -0.07 -0.34 0.00 0.00 178.44 178.95 1k6a h LEU 225 N 0.16 0.98 -1.97 2.25 3.38 -0.65 -1.36 115.31 118.10 1k6a h LEU 225 Ca 0.07 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1k6a h LEU 225 Cb 0.19 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1k6a h LEU 225 CO -0.00 0.62 -0.01 0.00 0.09 0.00 0.00 178.44 179.13 1k6a h ALA 226 N 1.45 1.01 0.00 1.53 0.00 -0.87 -2.66 119.26 119.72 1k6a h ALA 226 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1k6a h ALA 226 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1k6a h ALA 226 CO -0.18 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 177.95 1k6a n SER 227 N -3.12 0.00 0.21 0.00 3.41 -0.51 -2.37 113.62 111.25 1k6a n SER 227 Ca -0.01 0.20 0.15 0.00 -0.26 0.00 0.00 58.87 58.95 1k6a n SER 227 Cb 0.23 -0.38 0.64 0.00 -0.26 0.00 0.00 64.21 64.45 1k6a n SER 227 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k6a h ALA 228 N 2.91 1.00 0.00 7.33 0.00 -1.58 -3.47 119.26 125.45 1k6a h ALA 228 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1k6a h ALA 228 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1k6a h ALA 228 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1k6a n GLY 229 N -0.16 0.65 3.75 0.00 0.00 -1.00 -4.45 105.19 103.98 1k6a n GLY 229 Ca 0.01 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 1k6a n GLY 229 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k6a s THR 230 N -2.00 2.61 0.50 2.61 -4.23 -1.26 -4.92 115.64 108.96 1k6a s THR 230 Ca 0.00 0.38 0.14 0.00 -1.18 0.00 0.00 61.69 61.03 1k6a s THR 230 Cb 0.00 -3.13 0.27 0.00 1.34 0.00 0.00 72.50 70.98 1k6a s THR 230 CO 0.00 -0.09 2.13 -0.65 -0.54 0.00 0.00 174.62 175.47 1k6a h PRO 231 N 0.79 0.09 -4.95 3.99 0.11 -1.81 -3.44 132.00 126.78 1k6a h PRO 231 Ca -0.50 -0.01 -0.33 0.00 0.11 0.00 0.00 66.00 65.28 1k6a h PRO 231 Cb 1.30 -0.02 -0.19 0.00 0.11 0.00 0.00 31.00 32.20 1k6a h PRO 231 CO 0.55 0.06 -0.74 -1.21 -0.21 0.00 0.00 178.00 176.45 1k6a s GLU 232 N -5.14 0.79 0.16 1.05 2.02 -0.70 -4.79 118.70 112.09 1k6a s GLU 232 Ca -0.06 -1.06 0.05 0.00 0.02 0.00 0.00 54.97 53.92 1k6a s GLU 232 Cb 0.17 -0.54 -0.04 0.00 0.10 0.00 0.00 34.13 33.82 1k6a s GLU 232 CO 0.68 0.09 -0.11 0.14 0.02 0.00 0.00 175.26 176.08 1k6a s VAL 233 N -2.09 1.26 0.02 2.63 -7.23 -0.25 -2.68 120.40 112.07 1k6a s VAL 233 Ca 0.02 -2.09 -0.17 0.00 -1.81 0.00 0.00 61.98 57.93 1k6a s VAL 233 Cb -0.05 -1.88 0.03 0.00 0.56 0.00 0.00 36.38 35.04 1k6a s VAL 233 CO 0.00 -0.72 0.37 0.00 -0.31 0.00 0.00 175.10 174.44 1k6a s ALA 234 N -3.27 -0.89 -0.32 1.32 0.00 -0.79 -1.79 121.76 116.03 1k6a s ALA 234 Ca 0.18 0.28 -0.19 0.00 0.00 0.00 0.00 51.96 52.23 1k6a s ALA 234 Cb 0.02 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.37 1k6a s ALA 234 CO 0.02 -0.38 0.54 0.42 0.00 0.00 0.00 175.76 176.35 1k6a s ILE 235 N -2.11 5.01 -0.06 0.00 -1.09 -1.01 -1.21 121.20 120.73 1k6a s ILE 235 Ca -0.08 0.61 0.12 0.00 -2.23 0.00 0.00 60.65 59.08 1k6a s ILE 235 Cb -0.02 -3.94 -0.18 0.00 -1.58 0.00 0.00 42.46 36.74 1k6a s ILE 235 CO -0.00 -0.12 0.19 0.35 -1.23 0.00 0.00 174.94 174.13 1k6a n THR 236 N 5.36 0.33 -2.72 2.92 -2.24 -0.47 -0.91 114.28 116.54 1k6a n THR 236 Ca -0.04 -0.39 -0.05 0.00 -2.27 0.00 0.00 64.05 61.30 1k6a n THR 236 Cb 0.49 -0.15 0.06 0.00 -2.10 0.00 0.00 70.33 68.63 1k6a n THR 236 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1k6a n GLU 237 N -2.15 1.36 -2.03 -0.78 1.02 -0.40 -4.53 120.64 113.12 1k6a n GLU 237 Ca -0.09 -2.92 -0.42 0.00 -0.02 0.00 0.00 57.16 53.71 1k6a n GLU 237 Cb 0.56 -1.02 -0.03 0.00 -0.02 0.00 0.00 31.44 30.94 1k6a n GLU 237 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1k6a s LEU 238 N -3.45 4.38 0.11 -4.62 2.96 -0.14 -4.35 118.68 113.57 1k6a s LEU 238 Ca 0.24 2.57 -0.20 0.00 -0.22 0.00 0.00 54.13 56.53 1k6a s LEU 238 Cb 0.41 -3.61 0.05 0.00 0.50 0.00 0.00 46.19 43.54 1k6a s LEU 238 CO -0.02 -0.72 0.49 1.51 -1.32 0.00 0.00 176.35 176.29 1k6a s ASP 239 N 0.74 -0.39 -0.10 3.68 1.47 -1.10 -1.03 116.67 119.94 1k6a s ASP 239 Ca 0.64 -0.08 -0.03 0.00 1.18 0.00 0.00 52.55 54.25 1k6a s ASP 239 Cb -0.41 0.51 0.05 0.00 -0.34 0.00 0.00 42.92 42.73 1k6a s ASP 239 CO 0.37 -0.85 0.10 -0.69 0.68 0.00 0.00 175.17 174.78 1k6a s VAL 240 N -3.39 -0.15 0.06 2.11 1.01 -0.88 -1.31 120.40 117.85 1k6a s VAL 240 Ca -0.00 0.19 -0.34 0.00 0.00 0.00 0.00 61.98 61.82 1k6a s VAL 240 Cb 0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 36.38 35.89 1k6a s VAL 240 CO -0.09 0.00 1.66 0.00 0.00 0.00 0.00 175.10 176.67 1k6a n ALA 241 N 5.30 0.98 0.00 5.51 0.00 -0.42 -0.61 120.51 131.27 1k6a n ALA 241 Ca -0.05 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1k6a n ALA 241 Cb 0.50 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1k6a n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k6a n GLY 242 N 3.68 2.72 4.04 0.00 0.00 0.15 -3.64 105.19 112.15 1k6a n GLY 242 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1k6a n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k6a n ALA 243 N -0.71 -1.49 -1.87 4.61 0.00 0.22 -4.90 120.51 116.38 1k6a n ALA 243 Ca 0.00 -0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.01 1k6a n ALA 243 Cb 0.00 -3.22 -0.02 0.00 0.00 0.00 0.00 19.45 16.20 1k6a n ALA 243 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1k6a s SER 244 N -3.61 6.68 0.35 0.00 0.15 -1.26 -4.48 113.70 111.52 1k6a s SER 244 Ca 0.50 2.67 0.09 0.00 0.70 0.00 0.00 55.95 59.91 1k6a s SER 244 Cb -0.27 -2.63 0.83 0.00 -1.71 0.00 0.00 66.02 62.25 1k6a s SER 244 CO 0.88 -0.67 1.84 -0.65 1.20 0.00 0.00 173.24 175.84 1k6a h PRO 245 N 4.75 0.66 -0.41 5.44 0.11 -1.90 -2.33 132.00 138.32 1k6a h PRO 245 Ca -0.46 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.63 1k6a h PRO 245 Cb 1.22 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1k6a h PRO 245 CO 0.75 0.44 0.22 1.15 -0.21 0.00 0.00 178.00 180.36 1k6a h THR 246 N 0.68 1.01 -0.20 -1.15 2.02 -1.98 0.06 112.91 113.35 1k6a h THR 246 Ca 0.50 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 67.48 1k6a h THR 246 Cb 0.86 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1k6a h THR 246 CO -0.25 0.08 -0.03 0.44 0.37 0.00 0.00 175.52 176.12 1k6a h ASP 247 N 0.45 0.38 -0.50 4.18 3.32 -1.82 -2.19 116.42 120.24 1k6a h ASP 247 Ca 0.17 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 1k6a h ASP 247 Cb 0.04 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1k6a h ASP 247 CO -0.10 0.64 0.22 1.88 -1.72 0.00 0.00 179.24 180.17 1k6a h TYR 248 N 0.11 0.74 -0.72 4.55 0.05 -1.27 -2.23 116.97 118.20 1k6a h TYR 248 Ca 0.05 -0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.73 1k6a h TYR 248 Cb 0.47 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.95 1k6a h TYR 248 CO 0.05 0.60 0.22 0.28 -1.05 0.00 0.00 178.16 178.26 1k6a h VAL 249 N 0.67 1.26 -0.78 -2.88 2.07 -1.01 -2.01 116.25 113.57 1k6a h VAL 249 Ca 0.17 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1k6a h VAL 249 Cb 0.15 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1k6a h VAL 249 CO -0.02 0.36 0.45 0.78 0.02 0.00 0.00 177.57 179.16 1k6a h ASN 250 N 1.07 0.96 -0.50 0.57 2.35 -1.14 0.08 115.58 118.97 1k6a h ASN 250 Ca 0.23 -0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 1k6a h ASN 250 Cb 0.32 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1k6a h ASN 250 CO -0.01 0.76 -0.03 0.58 -1.65 0.00 0.00 177.43 177.09 1k6a h VAL 251 N 1.08 1.27 -0.54 2.81 2.07 -1.09 -0.80 116.25 121.04 1k6a h VAL 251 Ca 0.28 -1.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 1k6a h VAL 251 Cb -0.00 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1k6a h VAL 251 CO -0.05 0.39 0.23 0.58 0.02 0.00 0.00 177.57 178.75 1k6a h VAL 252 N 0.76 1.21 -0.35 2.57 2.07 -1.09 -2.41 116.25 119.00 1k6a h VAL 252 Ca 0.14 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 1k6a h VAL 252 Cb 0.56 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1k6a h VAL 252 CO 0.03 0.25 -0.09 0.78 0.02 0.00 0.00 177.57 178.57 1k6a h ASN 253 N 0.74 0.58 -0.41 0.57 2.35 -0.79 -0.82 115.58 117.78 1k6a h ASN 253 Ca 0.18 -0.15 0.03 0.00 -0.55 0.00 0.00 56.30 55.82 1k6a h ASN 253 Cb 0.17 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 1k6a h ASN 253 CO -0.02 0.71 0.21 0.00 -1.65 0.00 0.00 177.43 176.67 1k6a h ALA 254 N 1.36 0.51 -0.47 -0.83 0.00 -0.82 -0.42 119.26 118.59 1k6a h ALA 254 Ca 0.10 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1k6a h ALA 254 Cb 0.48 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1k6a h ALA 254 CO 0.03 -0.15 0.07 0.00 0.00 0.00 0.00 179.25 179.20 1k6a h LEU 256 N 0.65 0.65 -0.11 0.00 3.38 -0.79 -2.56 115.31 116.52 1k6a h LEU 256 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1k6a h LEU 256 Cb 0.39 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1k6a h LEU 256 CO 0.01 0.42 0.00 0.78 0.09 0.00 0.00 178.44 179.74 1k6a h ASN 257 N 0.74 0.00 -3.65 -0.43 -0.26 -0.71 -3.43 115.58 107.85 1k6a h ASN 257 Ca 0.31 0.00 -0.69 0.00 -0.56 0.00 0.00 56.30 55.35 1k6a h ASN 257 Cb 0.26 0.00 -0.28 0.00 -1.06 0.00 0.00 38.32 37.24 1k6a h ASN 257 CO -0.10 0.00 -0.60 -0.69 -1.06 0.00 0.00 177.43 174.98 1k6a s VAL 258 N -3.14 3.91 0.42 2.81 1.01 -0.97 -4.99 120.40 119.45 1k6a s VAL 258 Ca 0.10 -1.00 0.12 0.00 0.00 0.00 0.00 61.98 61.19 1k6a s VAL 258 Cb 0.12 -3.16 0.31 0.00 0.00 0.00 0.00 36.38 33.65 1k6a s VAL 258 CO 0.57 -0.13 1.99 1.56 0.00 0.00 0.00 175.10 179.09 1k6a h GLN 259 N 8.25 0.46 -0.01 2.72 4.20 -1.83 -1.47 115.11 127.43 1k6a h GLN 259 Ca -0.25 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.43 1k6a h GLN 259 Cb 1.09 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.77 1k6a h GLN 259 CO 0.61 0.31 -0.03 -1.13 -0.67 0.00 0.00 178.83 177.91 1k6a n SER 260 N -4.47 0.80 -4.62 1.46 3.41 -1.26 -4.76 113.62 104.18 1k6a n SER 260 Ca 0.09 -1.13 -0.43 0.00 -0.26 0.00 0.00 58.87 57.14 1k6a n SER 260 Cb 0.31 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.23 1k6a n SER 260 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k6a h VAL 262 N 6.19 0.64 0.00 0.00 -1.51 -1.65 -3.46 116.25 116.46 1k6a h VAL 262 Ca -0.26 -2.06 0.00 0.00 -1.23 0.00 0.00 66.70 63.15 1k6a h VAL 262 Cb 1.10 2.18 0.00 0.00 -2.13 0.00 0.00 31.29 32.44 1k6a h VAL 262 CO 1.06 0.37 0.00 0.61 -1.23 0.00 0.00 177.57 178.38 1k6a n GLY 263 N 1.31 -1.77 3.01 5.19 0.00 -1.26 -0.96 105.19 110.72 1k6a n GLY 263 Ca -0.04 -1.12 -0.20 0.00 0.00 0.00 0.00 46.02 44.66 1k6a n GLY 263 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k6a s ILE 264 N -2.13 0.78 -0.11 -0.61 1.01 -1.10 -2.40 121.20 116.64 1k6a s ILE 264 Ca 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.31 1k6a s ILE 264 Cb 0.00 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.79 1k6a s ILE 264 CO 0.00 0.24 -0.23 -0.89 0.00 0.00 0.00 174.94 174.06 1k6a s THR 265 N 0.10 2.07 0.02 2.92 2.01 -0.09 -0.33 115.64 122.34 1k6a s THR 265 Ca -0.02 -1.01 -0.09 0.00 0.31 0.00 0.00 61.69 60.88 1k6a s THR 265 Cb -0.07 -1.80 -0.05 0.00 0.01 0.00 0.00 72.50 70.59 1k6a s THR 265 CO 0.00 0.56 0.33 0.54 -0.69 0.00 0.00 174.62 175.36 1k6a s VAL 266 N 0.46 5.20 -1.35 3.82 0.11 -0.21 -0.96 120.40 127.46 1k6a s VAL 266 Ca -0.16 0.41 -0.07 0.00 -2.93 0.00 0.00 61.98 59.23 1k6a s VAL 266 Cb -0.17 -3.61 0.11 0.00 -1.53 0.00 0.00 36.38 31.18 1k6a s VAL 266 CO 0.06 0.41 2.30 1.87 -3.33 0.00 0.00 175.10 176.41 1k6a n TRP 267 N 1.29 2.70 0.00 1.54 -0.00 -0.19 -1.52 117.44 121.26 1k6a n TRP 267 Ca -0.12 -2.85 0.00 0.00 -0.00 0.00 0.00 57.50 54.53 1k6a n TRP 267 Cb 0.53 -1.97 0.00 0.00 -0.00 0.00 0.00 31.31 29.87 1k6a n TRP 267 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1k6a n GLY 268 N 2.34 2.53 0.02 5.87 0.00 -1.26 -4.72 105.19 109.97 1k6a n GLY 268 Ca 0.57 -2.12 -0.02 0.00 0.00 0.00 0.00 46.02 44.46 1k6a n GLY 268 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1k6a n VAL 269 N -1.10 0.38 -4.52 1.61 0.31 -1.26 -4.74 118.33 109.02 1k6a n VAL 269 Ca 0.00 0.42 -0.33 0.00 -0.01 0.00 0.00 64.34 64.42 1k6a n VAL 269 Cb 0.00 -1.73 -0.11 0.00 -0.91 0.00 0.00 33.84 31.09 1k6a n VAL 269 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1k6a s ALA 270 N -2.95 3.01 0.24 3.52 0.00 -1.26 -3.08 121.76 121.25 1k6a s ALA 270 Ca -0.05 -0.97 -0.13 0.00 0.00 0.00 0.00 51.96 50.81 1k6a s ALA 270 Cb 0.01 -1.18 0.31 0.00 0.00 0.00 0.00 23.12 22.26 1k6a s ALA 270 CO 0.08 0.60 1.58 -0.44 0.00 0.00 0.00 175.76 177.58 1k6a h ASP 271 N 4.79 -0.95 0.08 0.00 3.32 -1.38 -1.06 116.42 121.23 1k6a h ASP 271 Ca -0.49 0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1k6a h ASP 271 Cb 1.17 0.57 0.00 0.00 0.22 0.00 0.00 39.33 41.29 1k6a h ASP 271 CO 0.53 -0.29 0.00 -0.65 -1.72 0.00 0.00 179.24 177.12 1k6a h PRO 272 N -0.03 0.00 -0.09 3.56 0.11 -1.88 -1.66 132.00 132.02 1k6a h PRO 272 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1k6a h PRO 272 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1k6a h PRO 272 CO -0.86 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 176.68 1k6a n ASP 273 N -2.93 2.61 -4.77 -2.05 8.00 -0.41 -4.86 116.55 112.14 1k6a n ASP 273 Ca -0.02 -1.86 -0.37 0.00 0.71 0.00 0.00 54.79 53.25 1k6a n ASP 273 Cb 0.08 -0.05 -0.01 0.00 -0.02 0.00 0.00 41.12 41.12 1k6a n ASP 273 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1k6a s SER 274 N -1.89 6.31 0.42 -2.24 0.15 -0.62 -4.93 113.70 110.89 1k6a s SER 274 Ca 0.32 2.29 0.29 0.00 0.70 0.00 0.00 55.95 59.55 1k6a s SER 274 Cb 0.20 -2.60 1.38 0.00 -1.71 0.00 0.00 66.02 63.29 1k6a s SER 274 CO 0.31 -0.82 1.88 4.11 1.20 0.00 0.00 173.24 179.92 1k6a h TRP 275 N 2.22 0.00 -1.20 3.44 5.08 -1.89 -2.90 115.95 120.69 1k6a h TRP 275 Ca -0.49 0.00 -0.59 0.00 1.08 0.00 0.00 58.89 58.89 1k6a h TRP 275 Cb 1.24 0.00 -0.41 0.00 -3.00 0.00 0.00 29.16 26.99 1k6a h TRP 275 CO 0.54 0.00 -0.62 0.54 -1.28 0.00 0.00 178.44 177.62 1k6a n ARG 276 N -2.59 3.45 0.20 0.12 1.74 -1.26 -4.94 116.66 113.37 1k6a n ARG 276 Ca -0.00 -4.27 0.09 0.00 -0.77 0.00 0.00 57.85 52.90 1k6a n ARG 276 Cb 0.17 -2.27 0.62 0.00 -1.02 0.00 0.00 32.46 29.97 1k6a n ARG 276 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k6a h ALA 277 N 2.41 2.03 0.00 7.54 0.00 -1.73 -1.00 119.26 128.52 1k6a h ALA 277 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1k6a h ALA 277 Cb 1.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1k6a h ALA 277 CO 0.87 -0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.93 1k6a n SER 278 N -4.51 0.22 -1.03 0.00 3.41 -1.26 -1.67 113.62 108.77 1k6a n SER 278 Ca -0.01 0.57 0.08 0.00 -0.26 0.00 0.00 58.87 59.26 1k6a n SER 278 Cb 0.16 -0.61 0.25 0.00 -0.26 0.00 0.00 64.21 63.74 1k6a n SER 278 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1k6a n THR 279 N -1.76 1.20 -3.69 6.66 -2.24 -0.38 -5.01 114.28 109.07 1k6a n THR 279 Ca 0.01 -1.09 -0.24 0.00 -2.27 0.00 0.00 64.05 60.46 1k6a n THR 279 Cb 0.11 0.40 0.01 0.00 -2.10 0.00 0.00 70.33 68.75 1k6a n THR 279 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k6a n THR 280 N 0.92 -1.86 0.05 4.28 -2.24 -0.67 -0.67 114.28 114.09 1k6a n THR 280 Ca 0.19 -0.21 0.12 0.00 -2.27 0.00 0.00 64.05 61.87 1k6a n THR 280 Cb 0.59 -1.62 0.25 0.00 -2.10 0.00 0.00 70.33 67.45 1k6a n THR 280 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1k6a n PRO 281 N -2.84 2.58 -2.64 -0.78 -0.04 -1.26 -3.80 135.00 126.22 1k6a n PRO 281 Ca -0.14 -2.42 -0.15 0.00 -0.04 0.00 0.00 63.50 60.76 1k6a n PRO 281 Cb 0.40 -1.53 0.02 0.00 -0.04 0.00 0.00 33.50 32.36 1k6a n PRO 281 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1k6a n LEU 282 N 1.54 0.00 0.01 1.53 4.77 -1.26 -2.07 117.00 121.51 1k6a n LEU 282 Ca 0.21 -1.73 0.11 0.00 -0.03 0.00 0.00 56.01 54.57 1k6a n LEU 282 Cb 0.61 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1k6a n LEU 282 CO 0.16 -0.55 0.08 0.18 -1.33 0.00 0.00 177.39 175.93 1k6a n LEU 283 N 0.00 0.73 -4.26 2.23 4.77 -1.26 -4.87 117.00 114.34 1k6a n LEU 283 Ca 0.05 -0.23 -0.26 0.00 -0.03 0.00 0.00 56.01 55.54 1k6a n LEU 283 Cb 0.40 -0.09 -0.14 0.00 -2.33 0.00 0.00 43.42 41.25 1k6a n LEU 283 CO 0.24 0.16 -0.52 -0.36 -1.33 0.00 0.00 177.39 175.58 1k6a s PHE 284 N -3.06 1.83 0.50 -1.77 0.40 -1.18 -1.02 117.98 113.68 1k6a s PHE 284 Ca 0.07 -0.38 -0.03 0.00 -0.60 0.00 0.00 56.93 55.99 1k6a s PHE 284 Cb 0.16 -1.08 0.10 0.00 0.51 0.00 0.00 43.02 42.71 1k6a s PHE 284 CO 0.81 0.10 0.68 -0.40 0.70 0.00 0.00 175.22 177.11 1k6a n ASP 285 N 1.77 0.62 0.16 1.36 5.68 -0.42 -1.30 116.55 124.41 1k6a n ASP 285 Ca -0.17 -1.59 0.13 0.00 -0.50 0.00 0.00 54.79 52.65 1k6a n ASP 285 Cb 0.53 -0.47 0.58 0.00 -1.14 0.00 0.00 41.12 40.62 1k6a n ASP 285 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1k6a h GLY 286 N -0.58 0.00 -2.86 6.12 0.00 -1.93 0.16 103.07 103.98 1k6a h GLY 286 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1k6a h GLY 286 CO 0.21 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.45 1k6a n ASN 287 N -2.37 4.58 -1.81 0.19 4.13 -1.26 -4.94 115.26 113.77 1k6a n ASN 287 Ca 0.01 -2.43 -0.17 0.00 1.68 0.00 0.00 54.58 53.67 1k6a n ASN 287 Cb 0.17 -0.55 -0.03 0.00 -1.54 0.00 0.00 39.78 37.83 1k6a n ASN 287 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1k6a n PHE 288 N 1.03 -0.61 -3.65 3.10 3.72 0.04 -5.01 117.46 116.09 1k6a n PHE 288 Ca 0.25 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.30 1k6a n PHE 288 Cb 0.85 -3.35 -0.05 0.00 -0.94 0.00 0.00 39.48 35.99 1k6a n PHE 288 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1k6a s ASN 289 N -2.38 6.59 0.31 4.37 0.01 -1.26 -4.46 114.94 118.12 1k6a s ASN 289 Ca 0.00 0.71 -0.29 0.00 -0.71 0.00 0.00 52.86 52.56 1k6a s ASN 289 Cb 0.00 -2.14 -0.10 0.00 0.41 0.00 0.00 41.25 39.41 1k6a s ASN 289 CO 0.00 0.21 1.38 -2.16 -1.51 0.00 0.00 177.10 175.02 1k6a s PRO 290 N -1.83 4.29 0.58 -0.60 0.04 -1.26 -1.31 135.00 134.92 1k6a s PRO 290 Ca 0.31 2.30 -0.04 0.00 0.04 0.00 0.00 61.00 63.60 1k6a s PRO 290 Cb -0.14 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 31.35 1k6a s PRO 290 CO 0.17 -0.32 0.86 0.15 0.04 0.00 0.00 177.00 177.90 1k6a s LYS 291 N -1.28 2.72 0.35 4.56 1.02 -0.19 -4.87 119.74 122.06 1k6a s LYS 291 Ca 0.53 -0.29 0.12 0.00 0.02 0.00 0.00 55.97 56.35 1k6a s LYS 291 Cb -0.41 -2.34 0.91 0.00 -0.52 0.00 0.00 37.83 35.47 1k6a s LYS 291 CO 0.51 -0.74 1.79 -1.35 -0.92 0.00 0.00 175.35 174.64 1k6a h PRO 292 N -0.12 0.57 -0.41 -1.68 0.11 -1.92 -0.18 132.00 128.37 1k6a h PRO 292 Ca -0.45 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1k6a h PRO 292 Cb 1.28 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1k6a h PRO 292 CO 0.58 0.38 0.05 0.00 -0.21 0.00 0.00 178.00 178.80 1k6a h ALA 293 N 1.64 1.33 0.04 -0.75 0.00 -1.90 -0.20 119.26 119.42 1k6a h ALA 293 Ca 0.56 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1k6a h ALA 293 Cb 1.12 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1k6a h ALA 293 CO -0.32 0.47 -0.02 -0.92 0.00 0.00 0.00 179.25 178.46 1k6a h TYR 294 N 0.60 -0.05 -0.27 0.00 5.03 -1.25 -2.00 116.97 119.03 1k6a h TYR 294 Ca 0.13 -0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.39 1k6a h TYR 294 Cb 0.30 0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.59 1k6a h TYR 294 CO 0.01 -0.01 -0.06 -0.91 -1.32 0.00 0.00 178.16 175.87 1k6a h ASN 295 N -0.08 0.41 -0.41 -2.11 2.35 -1.23 -1.84 115.58 112.67 1k6a h ASN 295 Ca -0.01 -0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.56 1k6a h ASN 295 Cb 0.07 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1k6a h ASN 295 CO 0.01 0.52 -0.11 0.00 -1.65 0.00 0.00 177.43 176.20 1k6a h ALA 296 N 1.54 0.92 -0.21 -0.83 0.00 -0.87 -0.80 119.26 119.01 1k6a h ALA 296 Ca 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1k6a h ALA 296 Cb 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1k6a h ALA 296 CO 0.02 0.63 0.10 0.82 0.00 0.00 0.00 179.25 180.81 1k6a h ILE 297 N 0.78 1.14 -0.43 0.00 2.04 -0.88 -1.39 117.51 118.78 1k6a h ILE 297 Ca 0.13 -0.42 0.08 0.00 1.00 0.00 0.00 64.86 65.65 1k6a h ILE 297 Cb 0.62 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.65 1k6a h ILE 297 CO 0.04 0.14 -0.03 0.58 0.00 0.00 0.00 178.15 178.88 1k6a h VAL 298 N 0.21 0.64 -0.50 1.67 2.07 -1.17 -1.05 116.25 118.12 1k6a h VAL 298 Ca 0.07 -0.03 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 1k6a h VAL 298 Cb 0.13 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1k6a h VAL 298 CO -0.01 0.01 -0.05 -0.61 0.02 0.00 0.00 177.57 176.93 1k6a h GLN 299 N 0.08 0.88 -0.61 1.57 -0.00 -0.98 -1.46 115.11 114.60 1k6a h GLN 299 Ca 0.21 -0.28 -0.06 0.00 -0.00 0.00 0.00 58.65 58.53 1k6a h GLN 299 Cb 0.32 -0.08 -0.03 0.00 0.00 0.00 0.00 27.48 27.69 1k6a h GLN 299 CO -0.38 0.91 0.15 0.22 0.00 0.00 0.00 178.83 179.73 1k6a h ASP 300 N 0.80 0.89 1.21 -0.69 3.58 -0.83 -3.16 116.42 118.21 1k6a h ASP 300 Ca 0.14 -0.17 -0.16 0.00 0.42 0.00 0.00 57.03 57.26 1k6a h ASP 300 Cb 0.56 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 1k6a h ASP 300 CO 0.03 0.86 -0.79 -0.07 -2.88 0.00 0.00 179.24 176.39 1k6a h LEU 301 N 0.90 0.00 0.00 2.28 3.38 -0.68 -3.51 115.31 117.68 1k6a h LEU 301 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1k6a h LEU 301 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1k6a h LEU 301 CO -0.00 0.77 0.00 0.00 0.09 0.00 0.00 178.44 179.30