#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kkr s ILE 3 N 0.00 4.61 -0.09 -0.18 1.01 -0.45 -1.57 121.20 124.53 1kkr s ILE 3 Ca 0.00 1.92 -0.17 0.00 0.00 0.00 0.00 60.65 62.40 1kkr s ILE 3 Cb 0.00 -4.24 -0.28 0.00 0.01 0.00 0.00 42.46 37.96 1kkr s ILE 3 CO 0.00 -0.10 0.61 0.50 0.00 0.00 0.00 174.94 175.95 1kkr h LYS 4 N 7.45 0.25 -3.37 2.79 3.64 -0.84 0.28 116.57 126.78 1kkr h LYS 4 Ca -0.25 -0.43 -0.16 0.00 -1.27 0.00 0.00 60.65 58.54 1kkr h LYS 4 Cb 1.10 0.16 -0.23 0.00 -0.41 0.00 0.00 32.23 32.86 1kkr h LYS 4 CO 0.93 1.21 -0.47 -0.65 -2.27 0.00 0.00 179.45 178.19 1kkr s GLN 5 N -2.47 0.39 -0.14 1.90 -0.21 -0.71 -4.69 119.66 113.73 1kkr s GLN 5 Ca -0.19 -0.10 0.01 0.00 0.02 0.00 0.00 55.36 55.10 1kkr s GLN 5 Cb 0.04 0.17 -0.00 0.00 1.00 0.00 0.00 33.01 34.22 1kkr s GLN 5 CO 0.78 -0.08 -0.17 0.00 -2.12 0.00 0.00 175.29 173.69 1kkr s ALA 6 N -0.76 2.44 -0.04 6.09 0.00 -1.26 -0.93 121.76 127.31 1kkr s ALA 6 Ca -0.08 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 50.90 1kkr s ALA 6 Cb -0.05 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 1kkr s ALA 6 CO 0.01 0.03 -0.20 -0.51 0.00 0.00 0.00 175.76 175.10 1kkr s LEU 7 N 0.72 2.41 -0.13 0.00 1.02 0.31 -4.98 118.68 118.04 1kkr s LEU 7 Ca -0.07 -0.33 0.03 0.00 0.02 0.00 0.00 54.13 53.78 1kkr s LEU 7 Cb -0.16 -1.46 0.01 0.00 0.02 0.00 0.00 46.19 44.60 1kkr s LEU 7 CO 0.01 0.33 -0.23 -0.36 0.02 0.00 0.00 176.35 176.12 1kkr s PHE 8 N -0.63 2.64 -0.03 0.29 0.08 -1.26 -1.01 117.98 118.06 1kkr s PHE 8 Ca 0.10 -1.27 0.01 0.00 0.12 0.00 0.00 56.93 55.88 1kkr s PHE 8 Cb -0.11 -1.79 0.02 0.00 -0.57 0.00 0.00 43.02 40.58 1kkr s PHE 8 CO 0.00 -0.56 -0.03 0.95 -0.10 0.00 0.00 175.22 175.48 1kkr s THR 9 N 0.69 0.37 0.59 0.64 -4.23 -0.69 -4.97 115.64 108.04 1kkr s THR 9 Ca -0.10 -0.04 -0.19 0.00 -1.18 0.00 0.00 61.69 60.18 1kkr s THR 9 Cb -0.16 -0.41 -0.04 0.00 1.34 0.00 0.00 72.50 73.23 1kkr s THR 9 CO 0.01 0.18 1.19 0.00 -0.54 0.00 0.00 174.62 175.46 1kkr s ALA 10 N 0.86 2.56 0.36 3.99 0.00 -1.26 -0.94 121.76 127.32 1kkr s ALA 10 Ca -0.10 0.97 -0.15 0.00 0.00 0.00 0.00 51.96 52.68 1kkr s ALA 10 Cb -0.13 -3.43 0.04 0.00 0.00 0.00 0.00 23.12 19.60 1kkr s ALA 10 CO -0.01 -1.12 0.73 0.20 0.00 0.00 0.00 175.76 175.57 1kkr s GLY 11 N -1.66 0.45 -0.15 0.00 0.00 0.15 -4.83 107.32 101.28 1kkr s GLY 11 Ca 0.76 -0.79 -0.06 0.00 0.00 0.00 0.00 44.72 44.63 1kkr s GLY 11 CO 0.33 -0.38 0.06 -0.19 0.00 0.00 0.00 173.10 172.92 1kkr s TYR 12 N -2.67 3.29 0.79 1.90 2.02 -1.26 -1.46 117.35 119.96 1kkr s TYR 12 Ca 0.17 0.17 -0.07 0.00 -0.37 0.00 0.00 57.07 56.97 1kkr s TYR 12 Cb -0.05 -1.99 0.13 0.00 -0.40 0.00 0.00 41.96 39.66 1kkr s TYR 12 CO 0.12 0.32 1.10 -1.54 -1.57 0.00 0.00 175.55 173.98 1kkr s SER 13 N -0.16 4.10 -0.01 2.29 1.04 -0.60 -4.70 113.70 115.66 1kkr s SER 13 Ca 0.07 0.07 0.06 0.00 0.48 0.00 0.00 55.95 56.63 1kkr s SER 13 Cb -0.12 -0.43 0.19 0.00 0.10 0.00 0.00 66.02 65.75 1kkr s SER 13 CO 0.01 -2.06 1.10 -1.20 0.98 0.00 0.00 173.24 172.08 1kkr n SER 14 N -3.15 1.26 0.00 7.02 7.64 -0.57 -4.71 113.62 121.11 1kkr n SER 14 Ca 0.13 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 57.97 1kkr n SER 14 Cb 0.60 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 1kkr n SER 14 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1kkr n PHE 15 N 0.10 0.00 -4.12 1.43 7.35 -1.24 -4.04 117.46 116.95 1kkr n PHE 15 Ca 0.07 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.61 1kkr n PHE 15 Cb 0.22 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 39.92 1kkr n PHE 15 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 1kkr s TYR 16 N 1.51 0.66 -0.09 -5.13 1.51 -1.26 -1.83 117.35 112.71 1kkr s TYR 16 Ca 0.00 -0.34 -0.30 0.00 -1.01 0.00 0.00 57.07 55.42 1kkr s TYR 16 Cb 0.00 -0.40 -0.02 0.00 -0.11 0.00 0.00 41.96 41.43 1kkr s TYR 16 CO 0.00 -0.04 1.13 -0.06 -1.11 0.00 0.00 175.55 175.47 1kkr s PHE 17 N -0.89 3.28 -0.04 2.71 0.08 0.15 -4.53 117.98 118.72 1kkr s PHE 17 Ca -0.05 1.34 0.05 0.00 0.12 0.00 0.00 56.93 58.39 1kkr s PHE 17 Cb -0.07 -3.34 -0.02 0.00 -0.57 0.00 0.00 43.02 39.01 1kkr s PHE 17 CO 0.00 -0.93 -0.18 -0.51 -0.10 0.00 0.00 175.22 173.50 1kkr s ASP 18 N 1.38 3.67 -0.91 1.36 1.01 -0.41 -1.31 116.67 121.46 1kkr s ASP 18 Ca 0.52 -0.30 -0.22 0.00 0.71 0.00 0.00 52.55 53.26 1kkr s ASP 18 Cb -0.22 -0.73 0.08 0.00 1.01 0.00 0.00 42.92 43.07 1kkr s ASP 18 CO 0.19 0.32 1.26 -0.62 0.21 0.00 0.00 175.17 176.53 1kkr s ASP 19 N -0.61 6.46 0.33 0.27 -1.08 0.29 -4.37 116.67 117.97 1kkr s ASP 19 Ca 0.09 -1.48 0.11 0.00 -0.52 0.00 0.00 52.55 50.74 1kkr s ASP 19 Cb -0.11 -2.49 0.91 0.00 -1.46 0.00 0.00 42.92 39.77 1kkr s ASP 19 CO 0.00 -1.38 1.75 -0.61 0.52 0.00 0.00 175.17 175.45 1kkr h GLN 20 N 9.46 0.56 -0.19 4.34 4.15 -1.92 -1.90 115.11 129.61 1kkr h GLN 20 Ca 0.07 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.41 1kkr h GLN 20 Cb 1.03 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.59 1kkr h GLN 20 CO 1.27 0.37 -0.07 0.37 -1.93 0.00 0.00 178.83 178.84 1kkr h GLN 21 N 0.57 0.38 -0.57 1.69 5.75 -1.95 -1.73 115.11 119.25 1kkr h GLN 21 Ca 0.62 -0.15 -0.06 0.00 -0.15 0.00 0.00 58.65 58.91 1kkr h GLN 21 Cb 1.23 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.74 1kkr h GLN 21 CO -0.42 0.66 0.11 0.00 -2.65 0.00 0.00 178.83 176.53 1kkr h ALA 22 N 0.71 1.13 -0.62 3.38 0.00 -1.78 -0.92 119.26 121.16 1kkr h ALA 22 Ca 0.04 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1kkr h ALA 22 Cb 0.53 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1kkr h ALA 22 CO 0.02 0.58 0.10 0.82 0.00 0.00 0.00 179.25 180.77 1kkr h ILE 23 N 0.85 1.26 -0.41 0.00 2.04 -1.28 -2.26 117.51 117.70 1kkr h ILE 23 Ca 0.18 -1.01 -0.14 0.00 1.00 0.00 0.00 64.86 64.89 1kkr h ILE 23 Cb 0.34 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1kkr h ILE 23 CO 0.00 0.37 -0.30 0.11 0.00 0.00 0.00 178.15 178.34 1kkr h LYS 24 N 0.94 0.91 0.00 2.37 1.57 -0.78 -1.81 116.57 119.76 1kkr h LYS 24 Ca 0.19 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1kkr h LYS 24 Cb 0.43 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1kkr h LYS 24 CO 0.01 1.08 0.12 -0.91 -0.57 0.00 0.00 179.45 179.18 1kkr h ASN 25 N 0.76 0.00 0.00 0.86 -0.26 -1.18 -3.45 115.58 112.31 1kkr h ASN 25 Ca 0.08 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1kkr h ASN 25 Cb 0.87 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.13 1kkr h ASN 25 CO 0.08 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 177.06 1kkr n GLY 26 N -1.21 1.68 3.53 2.83 0.00 -0.68 -5.05 105.19 106.28 1kkr n GLY 26 Ca -0.02 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.49 1kkr n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkr n ALA 27 N -0.79 -1.86 -1.91 4.61 0.00 -0.87 -4.94 120.51 114.75 1kkr n ALA 27 Ca 0.00 0.50 -0.29 0.00 0.00 0.00 0.00 53.44 53.65 1kkr n ALA 27 Cb 0.00 -1.89 0.11 0.00 0.00 0.00 0.00 19.45 17.66 1kkr n ALA 27 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1kkr s GLY 28 N -0.14 1.63 0.24 0.00 0.00 -1.26 -4.84 107.32 102.95 1kkr s GLY 28 Ca 0.77 -0.76 0.10 0.00 0.00 0.00 0.00 44.72 44.82 1kkr s GLY 28 CO 0.54 -0.22 -0.17 -2.38 0.00 0.00 0.00 173.10 170.87 1kkr s HIS 29 N -3.63 1.98 -0.29 1.90 -3.43 -1.26 0.52 115.29 111.09 1kkr s HIS 29 Ca 0.64 -0.47 -0.02 0.00 -0.80 0.00 0.00 55.06 54.42 1kkr s HIS 29 Cb -0.10 -0.89 0.12 0.00 -1.43 0.00 0.00 32.58 30.28 1kkr s HIS 29 CO 0.50 0.52 0.22 0.34 -2.00 0.00 0.00 174.74 174.32 1kkr s ASP 30 N -3.41 2.52 1.85 7.38 2.15 -0.09 -4.84 116.67 122.23 1kkr s ASP 30 Ca 0.26 -1.00 0.00 0.00 0.43 0.00 0.00 52.55 52.24 1kkr s ASP 30 Cb -0.03 0.12 0.00 0.00 -0.30 0.00 0.00 42.92 42.71 1kkr s ASP 30 CO 0.11 -0.41 0.00 0.61 -0.17 0.00 0.00 175.17 175.30 1kkr n GLY 31 N 5.28 3.91 0.01 2.66 0.00 -1.26 -1.79 105.19 114.00 1kkr n GLY 31 Ca -0.04 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1kkr n GLY 31 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1kkr n PHE 32 N 13.70 0.09 -3.21 1.61 7.35 -1.26 -4.90 117.46 130.84 1kkr n PHE 32 Ca 0.00 0.03 -0.34 0.00 -0.76 0.00 0.00 57.45 56.38 1kkr n PHE 32 Cb 0.00 -0.29 -0.06 0.00 0.35 0.00 0.00 39.48 39.48 1kkr n PHE 32 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1kkr s ILE 33 N -3.04 4.73 -0.10 -2.13 -1.09 -0.74 -5.02 121.20 113.80 1kkr s ILE 33 Ca 0.09 0.92 -0.09 0.00 -2.23 0.00 0.00 60.65 59.35 1kkr s ILE 33 Cb 0.17 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 1kkr s ILE 33 CO 0.73 -0.02 0.19 -0.31 -1.23 0.00 0.00 174.94 174.30 1kkr s TYR 34 N -1.78 3.61 0.49 3.97 2.02 -1.26 -0.91 117.35 123.49 1kkr s TYR 34 Ca 0.48 0.60 0.02 0.00 -0.37 0.00 0.00 57.07 57.80 1kkr s TYR 34 Cb -0.12 -2.02 0.02 0.00 -0.40 0.00 0.00 41.96 39.43 1kkr s TYR 34 CO 0.19 0.69 0.70 0.95 -1.57 0.00 0.00 175.55 176.51 1kkr s THR 35 N -0.94 3.25 0.00 -0.71 -4.23 0.19 -4.48 115.64 108.71 1kkr s THR 35 Ca 0.16 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 1kkr s THR 35 Cb -0.13 -3.19 0.00 0.00 1.34 0.00 0.00 72.50 70.52 1kkr s THR 35 CO 0.05 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1kkr n GLY 36 N -2.16 -2.41 3.89 3.99 0.00 -1.26 -4.19 105.19 103.05 1kkr n GLY 36 Ca 0.05 -1.81 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 1kkr n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kkr s ASP 37 N -2.94 6.50 0.63 1.61 1.01 -1.26 -4.70 116.67 117.52 1kkr s ASP 37 Ca 0.00 0.58 -0.15 0.00 0.71 0.00 0.00 52.55 53.69 1kkr s ASP 37 Cb 0.00 -2.09 -0.02 0.00 1.01 0.00 0.00 42.92 41.83 1kkr s ASP 37 CO 0.00 0.10 1.09 -2.16 0.21 0.00 0.00 175.17 174.41 1kkr s PRO 38 N -2.44 3.02 -0.00 8.23 0.04 -1.26 -4.92 135.00 137.67 1kkr s PRO 38 Ca 0.38 1.30 0.03 0.00 0.04 0.00 0.00 61.00 62.75 1kkr s PRO 38 Cb -0.13 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1kkr s PRO 38 CO 0.23 -1.06 0.06 1.33 0.04 0.00 0.00 177.00 177.60 1kkr n VAL 39 N -2.27 0.00 -2.74 -0.36 0.24 -1.26 -5.03 118.33 106.90 1kkr n VAL 39 Ca 0.10 -0.08 -0.39 0.00 -2.04 0.00 0.00 64.34 61.93 1kkr n VAL 39 Cb 0.52 0.47 -0.06 0.00 -1.47 0.00 0.00 33.84 33.30 1kkr n VAL 39 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1kkr s THR 40 N -2.14 4.08 0.42 3.34 2.01 -1.26 -5.01 115.64 117.08 1kkr s THR 40 Ca -0.01 1.93 -0.25 0.00 0.31 0.00 0.00 61.69 63.67 1kkr s THR 40 Cb 0.02 -4.16 -0.08 0.00 0.01 0.00 0.00 72.50 68.28 1kkr s THR 40 CO 0.12 0.33 1.21 -2.84 -0.69 0.00 0.00 174.62 172.75 1kkr s PRO 41 N -1.58 3.94 0.00 4.92 0.02 -1.26 -3.07 135.00 137.97 1kkr s PRO 41 Ca 0.45 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.40 1kkr s PRO 41 Cb -0.23 -2.63 0.00 0.00 0.02 0.00 0.00 34.50 31.66 1kkr s PRO 41 CO 0.29 -0.44 0.00 0.41 -0.33 0.00 0.00 177.00 176.93 1kkr n GLY 42 N 0.62 3.07 3.73 0.52 0.00 -1.26 -4.69 105.19 107.17 1kkr n GLY 42 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1kkr n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kkr s PHE 43 N -2.08 3.79 -0.15 1.61 0.08 -1.17 -4.93 117.98 115.12 1kkr s PHE 43 Ca 0.00 1.78 0.21 0.00 0.12 0.00 0.00 56.93 59.04 1kkr s PHE 43 Cb 0.00 -3.05 -0.14 0.00 -0.57 0.00 0.00 43.02 39.25 1kkr s PHE 43 CO 0.00 0.18 0.78 2.41 -0.10 0.00 0.00 175.22 178.49 1kkr n THR 44 N 2.92 0.57 -4.11 0.64 -1.04 -1.26 -4.89 114.28 107.11 1kkr n THR 44 Ca 0.03 -0.58 -0.11 0.00 -2.04 0.00 0.00 64.05 61.35 1kkr n THR 44 Cb 0.49 -0.31 -0.09 0.00 -1.82 0.00 0.00 70.33 68.61 1kkr n THR 44 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1kkr s SER 45 N -5.18 0.13 0.29 8.00 0.01 -1.26 -4.90 113.70 110.79 1kkr s SER 45 Ca -0.04 -1.18 -0.01 0.00 1.31 0.00 0.00 55.95 56.04 1kkr s SER 45 Cb 0.11 0.41 0.44 0.00 0.21 0.00 0.00 66.02 67.18 1kkr s SER 45 CO 0.83 -0.87 1.88 0.58 0.41 0.00 0.00 173.24 176.07 1kkr h VAL 46 N 2.60 1.21 -3.38 3.43 2.07 -1.84 -3.41 116.25 116.94 1kkr h VAL 46 Ca -0.33 -0.65 -0.58 0.00 0.82 0.00 0.00 66.70 65.96 1kkr h VAL 46 Cb 1.23 0.48 -0.33 0.00 -1.52 0.00 0.00 31.29 31.15 1kkr h VAL 46 CO 0.51 0.26 -0.84 -0.60 0.02 0.00 0.00 177.57 176.92 1kkr s ARG 47 N -5.43 2.21 0.13 1.57 3.52 -1.26 -0.55 118.95 119.14 1kkr s ARG 47 Ca -0.10 -0.58 0.02 0.00 -0.13 0.00 0.00 55.73 54.94 1kkr s ARG 47 Cb 0.16 -1.75 -0.04 0.00 -1.56 0.00 0.00 34.95 31.76 1kkr s ARG 47 CO 0.79 0.07 -0.05 -0.65 -0.81 0.00 0.00 175.30 174.65 1kkr s GLN 48 N 0.58 0.95 0.34 5.12 -0.21 -0.43 -4.87 119.66 121.14 1kkr s GLN 48 Ca -0.15 -1.41 -0.29 0.00 0.02 0.00 0.00 55.36 53.53 1kkr s GLN 48 Cb -0.16 -0.30 -0.11 0.00 1.00 0.00 0.00 33.01 33.43 1kkr s GLN 48 CO 0.05 -0.03 1.52 0.00 -2.12 0.00 0.00 175.29 174.71 1kkr n ALA 49 N -0.12 2.40 -1.76 6.09 0.00 -1.26 -0.68 120.51 125.18 1kkr n ALA 49 Ca -0.10 0.35 -0.40 0.00 0.00 0.00 0.00 53.44 53.29 1kkr n ALA 49 Cb 0.61 -2.43 -0.04 0.00 0.00 0.00 0.00 19.45 17.59 1kkr n ALA 49 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1kkr s GLY 50 N 0.10 3.04 0.20 0.00 0.00 -0.76 -4.21 107.32 105.68 1kkr s GLY 50 Ca 0.57 0.86 0.08 0.00 0.00 0.00 0.00 44.72 46.23 1kkr s GLY 50 CO 0.58 1.44 -0.16 -0.54 0.00 0.00 0.00 173.10 174.42 1kkr s GLU 51 N -1.53 1.34 0.20 2.90 2.02 -1.26 -1.55 118.70 120.81 1kkr s GLU 51 Ca 0.46 -1.54 -0.05 0.00 0.02 0.00 0.00 54.97 53.85 1kkr s GLU 51 Cb -0.30 -1.24 -0.03 0.00 0.10 0.00 0.00 34.13 32.66 1kkr s GLU 51 CO 0.39 0.22 0.23 0.00 0.02 0.00 0.00 175.26 176.13 1kkr s VAL 53 N -4.07 1.27 0.16 0.00 1.01 -0.66 -0.68 120.40 117.43 1kkr s VAL 53 Ca 0.29 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 1kkr s VAL 53 Cb 0.04 -1.33 -0.07 0.00 0.00 0.00 0.00 36.38 35.03 1kkr s VAL 53 CO 0.08 0.27 1.02 -0.44 0.00 0.00 0.00 175.10 176.03 1kkr s SER 54 N 1.59 7.41 -0.17 3.32 0.01 -0.12 -0.32 113.70 125.42 1kkr s SER 54 Ca 0.02 1.95 -0.02 0.00 1.31 0.00 0.00 55.95 59.22 1kkr s SER 54 Cb -0.14 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.48 1kkr s SER 54 CO -0.09 -0.11 -0.09 -0.69 0.41 0.00 0.00 173.24 172.68 1kkr s VAL 55 N -0.27 3.26 -0.07 3.43 1.01 0.18 -1.70 120.40 126.23 1kkr s VAL 55 Ca 0.47 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.94 1kkr s VAL 55 Cb -0.26 -2.42 -0.00 0.00 0.00 0.00 0.00 36.38 33.69 1kkr s VAL 55 CO 0.33 0.49 -0.22 -1.10 0.00 0.00 0.00 175.10 174.59 1kkr s GLN 56 N 0.76 2.49 -0.24 2.72 -0.21 -0.18 -2.05 119.66 122.95 1kkr s GLN 56 Ca -0.04 -0.81 0.02 0.00 0.02 0.00 0.00 55.36 54.55 1kkr s GLN 56 Cb -0.15 -2.03 0.06 0.00 1.00 0.00 0.00 33.01 31.89 1kkr s GLN 56 CO 0.02 0.27 -0.08 -0.51 -2.12 0.00 0.00 175.29 172.87 1kkr s LEU 57 N 0.08 2.93 -0.15 2.90 1.43 -0.42 -0.53 118.68 124.93 1kkr s LEU 57 Ca -0.09 -1.26 -0.22 0.00 -1.03 0.00 0.00 54.13 51.53 1kkr s LEU 57 Cb -0.15 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 1kkr s LEU 57 CO 0.05 -0.21 0.69 -0.63 0.23 0.00 0.00 176.35 176.48 1kkr s ILE 58 N 1.27 5.00 0.46 -0.59 1.01 -0.10 -0.84 121.20 127.40 1kkr s ILE 58 Ca -0.07 1.35 0.03 0.00 0.00 0.00 0.00 60.65 61.96 1kkr s ILE 58 Cb -0.19 -4.01 0.01 0.00 0.01 0.00 0.00 42.46 38.28 1kkr s ILE 58 CO -0.06 0.14 0.65 -0.76 0.00 0.00 0.00 174.94 174.91 1kkr s LEU 59 N 1.60 3.59 0.42 2.97 1.43 -0.29 -0.19 118.68 128.20 1kkr s LEU 59 Ca 0.33 -0.06 0.10 0.00 -1.03 0.00 0.00 54.13 53.48 1kkr s LEU 59 Cb -0.16 -2.87 0.89 0.00 0.03 0.00 0.00 46.19 44.07 1kkr s LEU 59 CO 0.13 -0.81 1.98 1.05 0.23 0.00 0.00 176.35 178.93 1kkr h GLU 60 N 0.43 0.24 -0.15 1.70 4.11 -1.61 -0.48 114.58 118.83 1kkr h GLU 60 Ca -0.43 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1kkr h GLU 60 Cb 1.27 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1kkr h GLU 60 CO 0.52 0.30 0.00 0.27 0.07 0.00 0.00 179.01 180.17 1kkr n ASN 61 N -4.36 0.47 0.00 3.06 6.94 -1.26 -4.88 115.26 115.23 1kkr n ASN 61 Ca -0.00 -2.01 0.00 0.00 -0.02 0.00 0.00 54.58 52.55 1kkr n ASN 61 Cb 0.20 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 1kkr n ASN 61 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1kkr n GLY 62 N 0.56 2.27 3.75 4.83 0.00 -0.19 -5.04 105.19 111.39 1kkr n GLY 62 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1kkr n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkr s ALA 63 N -2.72 2.13 -0.24 4.61 0.00 -1.26 -4.74 121.76 119.53 1kkr s ALA 63 Ca 0.00 0.34 0.01 0.00 0.00 0.00 0.00 51.96 52.31 1kkr s ALA 63 Cb 0.00 -3.31 0.06 0.00 0.00 0.00 0.00 23.12 19.87 1kkr s ALA 63 CO 0.00 -1.93 -0.05 0.08 0.00 0.00 0.00 175.76 173.86 1kkr s VAL 64 N -2.84 1.63 0.23 0.00 1.01 -1.26 -1.14 120.40 118.03 1kkr s VAL 64 Ca 0.62 -1.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 1kkr s VAL 64 Cb -0.18 -1.89 -0.08 0.00 0.00 0.00 0.00 36.38 34.23 1kkr s VAL 64 CO 0.56 -0.12 0.62 0.00 0.00 0.00 0.00 175.10 176.16 1kkr s ALA 65 N 1.34 3.49 0.05 5.51 0.00 -0.02 -4.89 121.76 127.24 1kkr s ALA 65 Ca -0.05 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 51.84 1kkr s ALA 65 Cb -0.19 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 1kkr s ALA 65 CO -0.06 0.43 -0.10 0.14 0.00 0.00 0.00 175.76 176.16 1kkr s VAL 66 N -1.73 0.72 -0.02 0.00 -7.23 -1.26 -1.30 120.40 109.58 1kkr s VAL 66 Ca 0.46 -1.14 -0.27 0.00 -1.81 0.00 0.00 61.98 59.23 1kkr s VAL 66 Cb -0.13 -0.75 0.06 0.00 0.56 0.00 0.00 36.38 36.12 1kkr s VAL 66 CO 0.20 -0.32 0.59 -0.83 -0.31 0.00 0.00 175.10 174.42 1kkr s GLY 67 N -1.61 -0.49 -0.15 2.32 0.00 -0.87 -3.71 107.32 102.82 1kkr s GLY 67 Ca -0.07 1.00 0.01 0.00 0.00 0.00 0.00 44.72 45.66 1kkr s GLY 67 CO 0.01 0.68 -0.18 0.99 0.00 0.00 0.00 173.10 174.59 1kkr s ASP 68 N -1.41 3.41 -0.12 1.64 1.01 -1.26 0.47 116.67 120.40 1kkr s ASP 68 Ca -0.10 -0.53 -0.29 0.00 0.71 0.00 0.00 52.55 52.33 1kkr s ASP 68 Cb -0.01 -1.51 -0.02 0.00 1.01 0.00 0.00 42.92 42.39 1kkr s ASP 68 CO 0.06 0.08 1.27 0.00 0.21 0.00 0.00 175.17 176.79 1kkr s ALA 70 N 3.13 -0.86 0.17 0.00 0.00 -1.22 -1.65 121.76 121.32 1kkr s ALA 70 Ca 0.56 0.29 0.09 0.00 0.00 0.00 0.00 51.96 52.90 1kkr s ALA 70 Cb -0.23 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1kkr s ALA 70 CO 0.18 -0.35 -0.19 0.00 0.00 0.00 0.00 175.76 175.40 1kkr s ALA 71 N -1.92 2.06 0.86 0.00 0.00 -1.26 -4.44 121.76 117.06 1kkr s ALA 71 Ca -0.09 -1.52 -0.13 0.00 0.00 0.00 0.00 51.96 50.22 1kkr s ALA 71 Cb -0.03 -0.19 0.04 0.00 0.00 0.00 0.00 23.12 22.94 1kkr s ALA 71 CO 0.01 0.24 0.70 1.33 0.00 0.00 0.00 175.76 178.05 1kkr n VAL 72 N 0.24 0.94 -0.20 0.00 0.24 -1.26 -4.57 118.33 113.72 1kkr n VAL 72 Ca -0.13 -0.23 -0.00 0.00 -2.04 0.00 0.00 64.34 61.95 1kkr n VAL 72 Cb 0.57 -0.83 0.08 0.00 -1.47 0.00 0.00 33.84 32.20 1kkr n VAL 72 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1kkr h GLN 73 N -1.14 0.06 -2.92 7.34 4.15 -1.89 -2.06 115.11 118.66 1kkr h GLN 73 Ca -0.45 -0.00 -0.74 0.00 0.77 0.00 0.00 58.65 58.23 1kkr h GLN 73 Cb 1.30 -0.01 -0.12 0.00 0.21 0.00 0.00 27.48 28.86 1kkr h GLN 73 CO 0.40 0.04 2.45 0.66 -1.93 0.00 0.00 178.83 180.44 1kkr n TYR 74 N -5.34 2.69 -2.17 3.99 4.01 -1.26 -1.28 117.16 117.79 1kkr n TYR 74 Ca 0.08 -2.84 -0.42 0.00 -0.16 0.00 0.00 57.90 54.56 1kkr n TYR 74 Cb 0.34 -1.93 -0.03 0.00 -0.31 0.00 0.00 39.34 37.41 1kkr n TYR 74 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1kkr s SER 75 N 0.70 6.80 0.00 7.72 0.15 -0.78 -3.77 113.70 124.52 1kkr s SER 75 Ca 0.51 2.13 0.00 0.00 0.70 0.00 0.00 55.95 59.29 1kkr s SER 75 Cb 0.16 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1kkr s SER 75 CO -0.06 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.21 1kkr n GLY 76 N 3.77 0.74 0.00 9.45 0.00 0.05 -4.44 105.19 114.76 1kkr n GLY 76 Ca 0.14 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1kkr n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkr n ALA 77 N -0.02 0.00 -1.05 4.61 0.00 -1.01 -4.95 120.51 118.09 1kkr n ALA 77 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1kkr n ALA 77 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.45 1kkr n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kkr n GLY 78 N -0.40 0.49 0.00 0.00 0.00 -1.26 -2.10 105.19 101.92 1kkr n GLY 78 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1kkr n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kkr n GLY 79 N -1.84 0.53 3.81 -0.02 0.00 -1.26 -4.36 105.19 102.04 1kkr n GLY 79 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1kkr n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kkr s ARG 80 N -0.89 4.36 1.07 1.61 0.52 -0.89 -5.05 118.95 119.68 1kkr s ARG 80 Ca 0.00 1.15 -0.12 0.00 -0.52 0.00 0.00 55.73 56.23 1kkr s ARG 80 Cb 0.00 -2.53 0.23 0.00 0.52 0.00 0.00 34.95 33.17 1kkr s ARG 80 CO 0.00 0.16 1.06 -0.51 0.02 0.00 0.00 175.30 176.03 1kkr s ASP 81 N -1.90 1.91 0.93 0.23 1.11 -1.26 -2.41 116.67 115.28 1kkr s ASP 81 Ca 0.55 1.39 0.00 0.00 0.18 0.00 0.00 52.55 54.66 1kkr s ASP 81 Cb -0.14 -2.10 0.00 0.00 1.07 0.00 0.00 42.92 41.75 1kkr s ASP 81 CO 0.19 -3.61 0.00 -2.65 1.18 0.00 0.00 175.17 170.28 1kkr n PRO 82 N -4.51 -1.76 -2.53 8.23 -0.02 -1.26 -0.77 135.00 132.38 1kkr n PRO 82 Ca 0.04 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.11 1kkr n PRO 82 Cb 0.56 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.01 1kkr n PRO 82 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1kkr s LEU 83 N 0.00 3.40 -1.16 2.45 2.96 -1.26 -3.52 118.68 121.54 1kkr s LEU 83 Ca 0.00 0.08 -0.19 0.00 -0.22 0.00 0.00 54.13 53.80 1kkr s LEU 83 Cb 0.00 -3.06 0.08 0.00 0.50 0.00 0.00 46.19 43.71 1kkr s LEU 83 CO 0.00 -1.59 1.55 0.12 -1.32 0.00 0.00 176.35 175.11 1kkr s PHE 84 N 5.34 2.82 -0.19 5.38 5.36 -1.26 -4.96 117.98 130.47 1kkr s PHE 84 Ca 0.44 -1.42 -0.15 0.00 -0.96 0.00 0.00 56.93 54.84 1kkr s PHE 84 Cb -0.08 -4.64 -0.04 0.00 -0.34 0.00 0.00 43.02 37.92 1kkr s PHE 84 CO 0.24 -1.77 0.38 -0.51 -1.46 0.00 0.00 175.22 172.10 1kkr s LEU 85 N 3.98 4.18 0.03 6.12 1.43 -1.26 -4.63 118.68 128.53 1kkr s LEU 85 Ca 0.48 0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 54.04 1kkr s LEU 85 Cb 0.01 -2.49 -0.30 0.00 0.03 0.00 0.00 46.19 43.44 1kkr s LEU 85 CO -0.00 -0.03 0.97 0.00 0.23 0.00 0.00 176.35 177.52 1kkr h ALA 86 N 7.19 0.10 -0.43 4.21 0.00 -1.91 -3.24 119.26 125.18 1kkr h ALA 86 Ca -0.37 -0.98 0.04 0.00 0.00 0.00 0.00 54.91 53.59 1kkr h ALA 86 Cb 1.16 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 1kkr h ALA 86 CO 0.73 0.97 0.20 1.05 0.00 0.00 0.00 179.25 182.20 1kkr h GLU 87 N 0.09 0.40 -0.73 0.00 4.11 -1.93 0.86 114.58 117.37 1kkr h GLU 87 Ca -0.22 -0.02 0.08 0.00 0.07 0.00 0.00 59.36 59.27 1kkr h GLU 87 Cb 2.04 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 31.16 1kkr h GLU 87 CO 0.20 0.26 0.48 1.25 0.07 0.00 0.00 179.01 181.28 1kkr h HIS 88 N 0.41 0.73 0.00 2.06 6.17 -2.01 -2.86 115.15 119.65 1kkr h HIS 88 Ca 0.19 0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.24 1kkr h HIS 88 Cb 0.11 -0.24 -0.01 0.00 2.52 0.00 0.00 27.41 29.80 1kkr h HIS 88 CO -0.11 0.37 -0.22 0.74 0.71 0.00 0.00 177.93 179.42 1kkr h PHE 89 N 0.70 0.00 0.32 5.26 0.04 -0.86 -3.35 116.94 119.05 1kkr h PHE 89 Ca 0.33 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.09 1kkr h PHE 89 Cb 0.36 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 1kkr h PHE 89 CO -0.00 0.22 -0.27 0.82 -0.60 0.00 0.00 178.31 178.48 1kkr h ILE 90 N 0.00 0.43 -0.21 -0.55 1.08 -1.21 -0.12 117.51 116.93 1kkr h ILE 90 Ca -0.00 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1kkr h ILE 90 Cb 0.92 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.08 1kkr h ILE 90 CO 0.03 0.00 0.12 -0.65 -0.69 0.00 0.00 178.15 176.96 1kkr h PRO 91 N -0.61 0.25 -0.50 2.37 0.11 -1.75 -0.51 132.00 131.36 1kkr h PRO 91 Ca -0.02 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.17 1kkr h PRO 91 Cb 0.54 -0.06 -0.08 0.00 0.11 0.00 0.00 31.00 31.51 1kkr h PRO 91 CO -0.03 0.16 -0.00 0.35 -0.21 0.00 0.00 178.00 178.28 1kkr h PHE 92 N 0.25 -0.03 -0.33 0.65 3.04 -1.67 0.51 116.94 119.36 1kkr h PHE 92 Ca 0.08 0.04 -0.13 0.00 3.98 0.00 0.00 57.97 61.94 1kkr h PHE 92 Cb -0.01 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 1kkr h PHE 92 CO -0.08 -0.11 -0.32 -0.07 -2.02 0.00 0.00 178.31 175.70 1kkr h LEU 93 N 0.12 0.75 -1.05 0.59 3.38 -0.81 -1.44 115.31 116.85 1kkr h LEU 93 Ca 0.25 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1kkr h LEU 93 Cb 0.38 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1kkr h LEU 93 CO -0.42 1.02 0.10 0.78 0.09 0.00 0.00 178.44 180.01 1kkr h ASN 94 N 0.61 0.73 0.02 -0.43 2.35 -0.64 -0.67 115.58 117.55 1kkr h ASN 94 Ca 0.07 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 1kkr h ASN 94 Cb 0.85 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.03 1kkr h ASN 94 CO 0.07 0.73 -0.21 -0.78 -1.65 0.00 0.00 177.43 175.60 1kkr h ASP 95 N 0.75 0.08 0.34 5.81 3.58 -0.78 -3.35 116.42 122.85 1kkr h ASP 95 Ca 0.16 -0.97 -0.13 0.00 0.42 0.00 0.00 57.03 56.52 1kkr h ASP 95 Cb 0.31 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 1kkr h ASP 95 CO 0.00 1.09 -1.78 1.41 -2.88 0.00 0.00 179.24 177.08 1kkr n HIS 96 N -4.52 0.41 -0.11 0.28 8.25 -0.55 -4.60 115.22 114.39 1kkr n HIS 96 Ca -0.12 0.13 -0.15 0.00 -0.26 0.00 0.00 57.72 57.33 1kkr n HIS 96 Cb 0.55 -0.84 -0.10 0.00 1.12 0.00 0.00 29.99 30.72 1kkr n HIS 96 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1kkr n ILE 97 N -2.60 1.23 -0.19 1.59 2.08 -0.39 -4.43 119.36 116.65 1kkr n ILE 97 Ca -0.11 -0.48 -0.01 0.00 0.56 0.00 0.00 62.75 62.71 1kkr n ILE 97 Cb 0.77 -1.24 0.06 0.00 -0.75 0.00 0.00 39.64 38.49 1kkr n ILE 97 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 1kkr h LYS 98 N 0.00 0.02 0.00 0.38 3.64 -1.34 0.16 116.57 119.43 1kkr h LYS 98 Ca -0.48 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1kkr h LYS 98 Cb 1.75 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.57 1kkr h LYS 98 CO -0.07 0.02 0.00 -1.35 -2.27 0.00 0.00 179.45 175.77 1kkr h PRO 99 N 0.02 0.00 -0.00 1.90 0.11 -1.80 0.45 132.00 132.67 1kkr h PRO 99 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 1kkr h PRO 99 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1kkr h PRO 99 CO -0.58 0.00 -0.34 1.28 -0.21 0.00 0.00 178.00 178.15 1kkr n LEU 100 N -2.39 0.70 -0.09 2.35 4.77 0.50 -4.28 117.00 118.54 1kkr n LEU 100 Ca 0.01 -0.09 -0.15 0.00 -0.03 0.00 0.00 56.01 55.75 1kkr n LEU 100 Cb 0.19 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.00 1kkr n LEU 100 CO 0.19 0.14 -1.12 0.18 -1.33 0.00 0.00 177.39 175.45 1kkr n LEU 101 N -1.09 2.59 -4.73 2.23 4.77 -0.03 -4.73 117.00 116.00 1kkr n LEU 101 Ca 0.09 -0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.64 1kkr n LEU 101 Cb 0.34 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 1kkr n LEU 101 CO 0.30 0.71 1.11 -1.61 -1.33 0.00 0.00 177.39 176.57 1kkr s GLU 102 N -2.37 4.28 0.00 3.23 2.02 -0.18 -1.48 118.70 124.20 1kkr s GLU 102 Ca -0.26 2.26 0.00 0.00 0.02 0.00 0.00 54.97 57.00 1kkr s GLU 102 Cb 0.07 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 31.16 1kkr s GLU 102 CO 0.41 -0.44 0.00 0.41 0.02 0.00 0.00 175.26 175.65 1kkr n GLY 103 N 2.69 2.00 3.75 -1.39 0.00 0.10 -4.91 105.19 107.43 1kkr n GLY 103 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1kkr n GLY 103 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kkr s ARG 104 N -0.17 4.74 0.19 1.61 3.52 -0.55 -4.76 118.95 123.55 1kkr s ARG 104 Ca 0.00 1.62 -0.30 0.00 -0.13 0.00 0.00 55.73 56.92 1kkr s ARG 104 Cb 0.00 -3.26 -0.08 0.00 -1.56 0.00 0.00 34.95 30.06 1kkr s ARG 104 CO 0.00 0.34 0.97 0.34 -0.81 0.00 0.00 175.30 176.14 1kkr s ASP 105 N -0.87 7.55 -0.11 -2.12 -1.08 -1.26 -1.33 116.67 117.44 1kkr s ASP 105 Ca 0.44 1.92 0.15 0.00 -0.52 0.00 0.00 52.55 54.54 1kkr s ASP 105 Cb -0.28 -2.60 0.24 0.00 -1.46 0.00 0.00 42.92 38.81 1kkr s ASP 105 CO 0.35 0.04 1.12 1.33 0.52 0.00 0.00 175.17 178.53 1kkr n VAL 106 N 1.99 1.54 -0.05 1.11 0.24 -1.26 -4.73 118.33 117.17 1kkr n VAL 106 Ca -0.00 -1.85 0.17 0.00 -2.04 0.00 0.00 64.34 60.62 1kkr n VAL 106 Cb 0.48 -0.10 0.61 0.00 -1.47 0.00 0.00 33.84 33.35 1kkr n VAL 106 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1kkr h ASP 107 N 0.00 0.17 -1.91 -1.34 3.32 -1.92 -3.33 116.42 111.40 1kkr h ASP 107 Ca 0.00 0.01 -0.62 0.00 0.02 0.00 0.00 57.03 56.44 1kkr h ASP 107 Cb 1.07 -0.03 -0.13 0.00 0.22 0.00 0.00 39.33 40.46 1kkr h ASP 107 CO 0.00 0.09 -0.67 0.00 -1.72 0.00 0.00 179.24 176.95 1kkr s ALA 108 N -5.19 3.00 -0.27 3.45 0.00 -1.26 -4.96 121.76 116.53 1kkr s ALA 108 Ca -0.06 -2.11 -0.07 0.00 0.00 0.00 0.00 51.96 49.72 1kkr s ALA 108 Cb 0.20 -0.05 -0.14 0.00 0.00 0.00 0.00 23.12 23.13 1kkr s ALA 108 CO 0.74 0.06 -0.30 0.34 0.00 0.00 0.00 175.76 176.60 1kkr n PHE 109 N -0.83 0.00 -0.08 0.00 7.35 -1.26 -4.68 117.46 117.96 1kkr n PHE 109 Ca -0.05 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.53 1kkr n PHE 109 Cb 0.64 -0.99 -0.04 0.00 0.35 0.00 0.00 39.48 39.44 1kkr n PHE 109 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1kkr h LEU 110 N -0.58 0.41 -0.85 -2.13 5.85 -1.98 -1.43 115.31 114.61 1kkr h LEU 110 Ca -0.65 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 57.86 1kkr h LEU 110 Cb 1.73 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.59 1kkr h LEU 110 CO -0.29 0.56 0.53 -0.65 -0.34 0.00 0.00 178.44 178.26 1kkr h PRO 111 N 0.24 0.97 -0.71 5.25 0.11 -2.00 0.77 132.00 136.63 1kkr h PRO 111 Ca 0.08 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 1kkr h PRO 111 Cb 0.33 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 1kkr h PRO 111 CO 0.01 0.64 0.38 -0.91 -0.21 0.00 0.00 178.00 177.91 1kkr h ASN 112 N 1.00 0.89 -0.68 -2.05 2.35 -1.71 -1.60 115.58 113.77 1kkr h ASN 112 Ca 0.36 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.94 1kkr h ASN 112 Cb 0.11 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 1kkr h ASN 112 CO -0.15 0.73 0.19 0.00 -1.65 0.00 0.00 177.43 176.55 1kkr h ALA 113 N 1.19 1.01 -0.33 -0.83 0.00 -0.33 -2.58 119.26 117.39 1kkr h ALA 113 Ca 0.25 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1kkr h ALA 113 Cb 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1kkr h ALA 113 CO -0.04 0.65 -0.05 0.00 0.00 0.00 0.00 179.25 179.81 1kkr h ARG 114 N 1.05 0.62 -0.05 0.00 3.08 -0.61 -1.47 114.38 117.01 1kkr h ARG 114 Ca 0.22 -0.23 0.04 0.00 0.07 0.00 0.00 59.98 60.08 1kkr h ARG 114 Cb 0.34 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.29 1kkr h ARG 114 CO -0.00 0.78 -0.31 0.35 -1.07 0.00 0.00 179.97 179.71 1kkr h PHE 115 N 0.41 -0.86 0.00 3.04 3.57 -1.00 -2.43 116.94 119.67 1kkr h PHE 115 Ca 0.09 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 1kkr h PHE 115 Cb 0.54 0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1kkr h PHE 115 CO 0.05 -0.40 -0.23 0.74 -2.23 0.00 0.00 178.31 176.24 1kkr h PHE 116 N -0.44 0.00 0.00 0.41 0.04 -1.44 -2.30 116.94 113.21 1kkr h PHE 116 Ca 0.07 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.75 1kkr h PHE 116 Cb 0.55 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 1kkr h PHE 116 CO -0.36 0.23 -0.46 0.22 -0.60 0.00 0.00 178.31 177.34 1kkr h ASP 117 N 0.00 0.00 0.04 2.17 3.58 -0.79 -3.23 116.42 118.19 1kkr h ASP 117 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1kkr h ASP 117 Cb 0.63 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.68 1kkr h ASP 117 CO 0.03 0.46 -1.38 0.29 -2.88 0.00 0.00 179.24 175.76 1kkr n LYS 118 N -3.54 0.28 -1.71 0.28 4.01 -1.02 -4.88 118.16 111.57 1kkr n LYS 118 Ca -0.00 -0.08 -0.42 0.00 -0.51 0.00 0.00 58.31 57.30 1kkr n LYS 118 Cb 0.57 -1.52 -0.03 0.00 -0.51 0.00 0.00 35.03 33.54 1kkr n LYS 118 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1kkr n LEU 119 N -1.83 3.98 -4.49 -0.35 7.94 -0.88 -4.93 117.00 116.44 1kkr n LEU 119 Ca 0.01 1.04 -0.33 0.00 -1.11 0.00 0.00 56.01 55.61 1kkr n LEU 119 Cb 0.43 -1.56 -0.12 0.00 0.53 0.00 0.00 43.42 42.70 1kkr n LEU 119 CO 0.44 0.17 -0.40 -0.13 -1.11 0.00 0.00 177.39 176.36 1kkr s ARG 120 N 1.69 3.18 -0.23 1.96 0.52 -1.26 -2.24 118.95 122.57 1kkr s ARG 120 Ca 0.78 -0.59 -0.03 0.00 -0.52 0.00 0.00 55.73 55.37 1kkr s ARG 120 Cb -0.50 -2.68 0.01 0.00 0.52 0.00 0.00 34.95 32.29 1kkr s ARG 120 CO 0.34 0.41 -0.06 0.42 0.02 0.00 0.00 175.30 176.43 1kkr s ILE 121 N -0.13 3.06 -1.48 1.52 -1.09 -0.37 -4.62 121.20 118.09 1kkr s ILE 121 Ca 0.01 -0.74 -0.09 0.00 -2.23 0.00 0.00 60.65 57.60 1kkr s ILE 121 Cb -0.13 -2.45 0.06 0.00 -1.58 0.00 0.00 42.46 38.36 1kkr s ILE 121 CO 0.03 0.35 0.83 0.47 -1.23 0.00 0.00 174.94 175.39 1kkr n ASP 122 N 4.74 -3.23 0.00 3.58 8.00 -1.26 -1.51 116.55 126.87 1kkr n ASP 122 Ca -0.18 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1kkr n ASP 122 Cb 0.49 -3.74 0.00 0.00 -0.02 0.00 0.00 41.12 37.86 1kkr n ASP 122 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kkr n GLY 123 N -1.67 2.10 3.41 0.44 0.00 -1.26 -5.02 105.19 103.20 1kkr n GLY 123 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1kkr n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kkr s ASN 124 N -3.51 4.92 0.56 1.61 0.01 -0.57 -4.96 114.94 113.01 1kkr s ASN 124 Ca 0.00 -0.25 -0.19 0.00 -0.71 0.00 0.00 52.86 51.71 1kkr s ASN 124 Cb 0.00 -1.87 -0.07 0.00 0.41 0.00 0.00 41.25 39.71 1kkr s ASN 124 CO 0.00 -0.03 0.77 0.18 -1.51 0.00 0.00 177.10 176.51 1kkr n LEU 125 N 4.85 2.22 -4.77 0.60 4.77 -1.26 -1.24 117.00 122.17 1kkr n LEU 125 Ca -0.17 0.80 -0.40 0.00 -0.03 0.00 0.00 56.01 56.21 1kkr n LEU 125 Cb 0.51 -1.28 0.01 0.00 -2.33 0.00 0.00 43.42 40.33 1kkr n LEU 125 CO 0.30 -2.37 1.08 -0.76 -1.33 0.00 0.00 177.39 174.31 1kkr s LEU 126 N -0.58 4.22 0.33 2.23 1.43 -0.95 -4.87 118.68 120.49 1kkr s LEU 126 Ca 0.71 2.92 -0.27 0.00 -1.03 0.00 0.00 54.13 56.47 1kkr s LEU 126 Cb -0.45 -3.82 -0.13 0.00 0.03 0.00 0.00 46.19 41.82 1kkr s LEU 126 CO 0.51 -0.99 0.95 1.57 0.23 0.00 0.00 176.35 178.62 1kkr n HIS 127 N 0.13 1.04 0.10 0.29 -0.00 -1.26 -4.74 115.22 110.78 1kkr n HIS 127 Ca 0.03 0.67 0.12 0.00 -0.00 0.00 0.00 57.72 58.55 1kkr n HIS 127 Cb 0.41 -2.21 0.62 0.00 -0.00 0.00 0.00 29.99 28.80 1kkr n HIS 127 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1kkr h THR 128 N 1.76 0.91 -0.02 3.57 1.35 -1.92 -0.20 112.91 118.36 1kkr h THR 128 Ca -0.40 -0.04 -0.10 0.00 -0.55 0.00 0.00 66.41 65.32 1kkr h THR 128 Cb 1.35 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 1kkr h THR 128 CO 0.59 0.02 -0.47 0.00 -0.25 0.00 0.00 175.52 175.41 1kkr h ALA 129 N 1.85 1.18 -0.23 6.62 0.00 -1.82 -1.36 119.26 125.50 1kkr h ALA 129 Ca 0.14 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1kkr h ALA 129 Cb 0.40 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1kkr h ALA 129 CO -0.02 0.60 -0.19 0.28 0.00 0.00 0.00 179.25 179.92 1kkr h VAL 130 N 0.04 1.32 -0.95 0.00 2.07 -1.39 -0.97 116.25 116.37 1kkr h VAL 130 Ca -0.00 -1.33 0.04 0.00 0.82 0.00 0.00 66.70 66.23 1kkr h VAL 130 Cb 0.85 1.67 -0.06 0.00 -1.52 0.00 0.00 31.29 32.23 1kkr h VAL 130 CO 0.06 0.41 0.63 0.03 0.02 0.00 0.00 177.57 178.72 1kkr h ARG 131 N 0.23 1.15 0.48 1.57 3.08 -1.06 0.46 114.38 120.29 1kkr h ARG 131 Ca 0.04 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1kkr h ARG 131 Cb 0.73 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1kkr h ARG 131 CO 0.05 0.76 -0.23 -0.92 -1.07 0.00 0.00 179.97 178.56 1kkr h TYR 132 N 1.19 -0.59 -0.26 3.04 3.20 -1.16 -0.39 116.97 122.00 1kkr h TYR 132 Ca 0.38 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.17 1kkr h TYR 132 Cb 0.03 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1kkr h TYR 132 CO -0.00 -0.33 -0.13 0.78 -1.64 0.00 0.00 178.16 176.84 1kkr h GLY 133 N -0.73 0.58 0.98 1.82 0.00 -0.94 -1.81 103.07 102.98 1kkr h GLY 133 Ca -0.07 -0.53 0.02 0.00 0.00 0.00 0.00 47.33 46.75 1kkr h GLY 133 CO 0.11 0.48 0.66 1.41 0.00 0.00 0.00 176.54 179.20 1kkr h LEU 134 N 0.27 1.12 -0.64 3.11 3.38 0.02 -2.49 115.31 120.09 1kkr h LEU 134 Ca 0.06 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1kkr h LEU 134 Cb 0.64 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1kkr h LEU 134 CO 0.04 0.80 -0.11 0.77 0.09 0.00 0.00 178.44 180.03 1kkr h SER 135 N 1.32 0.95 -0.24 -0.43 4.64 -0.96 0.24 113.55 119.07 1kkr h SER 135 Ca 0.37 -0.31 0.02 0.00 -0.47 0.00 0.00 61.79 61.41 1kkr h SER 135 Cb -0.10 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.70 1kkr h SER 135 CO -0.09 1.07 0.10 1.56 -0.87 0.00 0.00 176.83 178.60 1kkr h GLN 136 N 0.85 0.22 -0.73 4.77 4.20 -1.14 -1.10 115.11 122.18 1kkr h GLN 136 Ca 0.14 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1kkr h GLN 136 Cb 0.65 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 1kkr h GLN 136 CO 0.05 0.14 0.36 0.00 -0.67 0.00 0.00 178.83 178.71 1kkr h ALA 137 N 1.13 0.94 -0.76 3.87 0.00 -0.93 -1.37 119.26 122.15 1kkr h ALA 137 Ca 0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1kkr h ALA 137 Cb 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1kkr h ALA 137 CO -0.09 0.50 0.33 -0.07 0.00 0.00 0.00 179.25 179.92 1kkr h LEU 138 N 1.02 1.02 -0.38 0.00 3.38 -0.83 0.39 115.31 119.91 1kkr h LEU 138 Ca 0.25 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1kkr h LEU 138 Cb 0.11 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1kkr h LEU 138 CO -0.03 0.89 0.08 0.25 0.09 0.00 0.00 178.44 179.72 1kkr h LEU 139 N 1.10 0.59 -0.93 1.67 5.85 -0.84 -0.82 115.31 121.93 1kkr h LEU 139 Ca 0.26 -0.24 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1kkr h LEU 139 Cb 0.17 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1kkr h LEU 139 CO -0.03 0.68 -0.09 -0.78 -0.34 0.00 0.00 178.44 177.88 1kkr h ASP 140 N 0.47 0.67 -0.39 1.25 3.58 -0.98 -0.85 116.42 120.17 1kkr h ASP 140 Ca 0.12 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 1kkr h ASP 140 Cb 0.33 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 1kkr h ASP 140 CO 0.00 0.80 0.15 0.00 -2.88 0.00 0.00 179.24 177.31 1kkr h ALA 141 N 1.27 0.51 -0.60 -0.78 0.00 0.12 0.30 119.26 120.07 1kkr h ALA 141 Ca 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1kkr h ALA 141 Cb 0.53 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1kkr h ALA 141 CO 0.03 0.12 0.35 1.15 0.00 0.00 0.00 179.25 180.91 1kkr h THR 142 N 0.49 1.18 0.46 0.00 2.02 -0.55 -0.50 112.91 116.01 1kkr h THR 142 Ca 0.13 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 1kkr h THR 142 Cb 0.20 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1kkr h THR 142 CO -0.01 0.19 -0.29 0.00 0.37 0.00 0.00 175.52 175.79 1kkr h ALA 143 N 1.17 -0.71 -0.02 6.16 0.00 -0.91 -3.01 119.26 121.94 1kkr h ALA 143 Ca 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1kkr h ALA 143 Cb 0.00 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1kkr h ALA 143 CO -0.04 -0.92 -0.06 -0.07 0.00 0.00 0.00 179.25 178.16 1kkr h LEU 144 N -0.71 0.03 -0.21 0.00 3.38 -0.69 -1.95 115.31 115.16 1kkr h LEU 144 Ca -0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1kkr h LEU 144 Cb 0.59 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1kkr h LEU 144 CO 0.05 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.68 1kkr h ALA 145 N 1.91 1.00 0.00 1.53 0.00 -0.97 -3.35 119.26 119.38 1kkr h ALA 145 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1kkr h ALA 145 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1kkr h ALA 145 CO 0.01 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 1kkr n SER 146 N -2.35 0.86 -1.15 0.00 3.41 -0.83 -5.01 113.62 108.57 1kkr n SER 146 Ca 0.04 -1.35 -0.11 0.00 -0.26 0.00 0.00 58.87 57.19 1kkr n SER 146 Cb 0.39 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.32 1kkr n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kkr n GLY 147 N -0.17 0.41 3.64 5.00 0.00 -0.79 -5.01 105.19 108.25 1kkr n GLY 147 Ca 0.00 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 1kkr n GLY 147 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kkr s ARG 148 N -3.97 2.28 0.54 1.61 0.52 -0.85 -5.06 118.95 114.01 1kkr s ARG 148 Ca 0.00 -1.39 -0.15 0.00 -0.52 0.00 0.00 55.73 53.67 1kkr s ARG 148 Cb 0.00 -2.17 -0.07 0.00 0.52 0.00 0.00 34.95 33.23 1kkr s ARG 148 CO 0.00 0.38 0.99 -0.51 0.02 0.00 0.00 175.30 176.17 1kkr s LEU 149 N -3.56 3.52 0.27 2.53 1.43 -1.26 -4.24 118.68 117.36 1kkr s LEU 149 Ca 0.31 1.50 -0.01 0.00 -1.03 0.00 0.00 54.13 54.90 1kkr s LEU 149 Cb -0.07 -4.47 0.56 0.00 0.03 0.00 0.00 46.19 42.24 1kkr s LEU 149 CO 0.19 -0.66 1.74 0.11 0.23 0.00 0.00 176.35 177.97 1kkr h LYS 150 N 0.56 0.53 -0.37 1.70 1.57 -1.93 -1.01 116.57 117.63 1kkr h LYS 150 Ca -0.46 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.35 1kkr h LYS 150 Cb 1.19 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.32 1kkr h LYS 150 CO 0.62 0.35 0.05 1.15 -0.57 0.00 0.00 179.45 181.05 1kkr h THR 151 N 0.55 0.78 -0.65 -0.16 2.02 -1.94 -1.88 112.91 111.63 1kkr h THR 151 Ca 0.48 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.58 1kkr h THR 151 Cb 0.74 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1kkr h THR 151 CO -0.40 0.03 0.33 -0.33 0.37 0.00 0.00 175.52 175.52 1kkr h GLU 152 N 0.16 0.92 -0.41 6.66 5.08 -1.56 -1.54 114.58 123.90 1kkr h GLU 152 Ca 0.18 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1kkr h GLU 152 Cb 0.22 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1kkr h GLU 152 CO -0.26 0.70 0.24 0.28 -1.00 0.00 0.00 179.01 178.98 1kkr h VAL 153 N 0.92 1.13 0.28 3.13 2.07 -0.83 0.13 116.25 123.07 1kkr h VAL 153 Ca 0.23 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1kkr h VAL 153 Cb 0.07 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1kkr h VAL 153 CO -0.03 0.13 -0.14 0.58 0.02 0.00 0.00 177.57 178.13 1kkr h VAL 154 N 0.54 0.75 -0.77 2.57 2.07 -1.21 0.55 116.25 120.75 1kkr h VAL 154 Ca 0.15 -0.21 0.18 0.00 0.82 0.00 0.00 66.70 67.63 1kkr h VAL 154 Cb 0.00 0.87 -0.12 0.00 -1.52 0.00 0.00 31.29 30.52 1kkr h VAL 154 CO -0.03 0.05 0.17 0.00 0.02 0.00 0.00 177.57 177.78 1kkr h ASP 156 N 0.24 0.17 1.50 0.00 3.32 -0.42 0.41 116.42 121.65 1kkr h ASP 156 Ca 0.45 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1kkr h ASP 156 Cb 0.80 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1kkr h ASP 156 CO -0.56 0.45 0.00 -0.33 -1.72 0.00 0.00 179.24 177.08 1kkr h GLU 157 N -0.11 0.00 -0.14 3.56 5.08 -0.59 -2.97 114.58 119.42 1kkr h GLU 157 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1kkr h GLU 157 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1kkr h GLU 157 CO 0.01 0.00 0.00 0.91 -1.00 0.00 0.00 179.01 178.93 1kkr n TRP 158 N -2.63 0.17 -3.44 4.33 8.01 -0.28 -5.01 117.44 118.60 1kkr n TRP 158 Ca 0.04 -0.18 -0.17 0.00 -1.31 0.00 0.00 57.50 55.88 1kkr n TRP 158 Cb 0.42 -0.01 0.02 0.00 -2.01 0.00 0.00 31.31 29.74 1kkr n TRP 158 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1kkr n GLN 159 N 0.59 -1.44 -4.37 -0.99 10.64 0.35 -5.00 117.38 117.16 1kkr n GLN 159 Ca 0.08 0.93 -0.29 0.00 -1.83 0.00 0.00 57.00 55.90 1kkr n GLN 159 Cb 0.33 -4.49 -0.12 0.00 -0.86 0.00 0.00 30.24 25.10 1kkr n GLN 159 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1kkr s LEU 160 N -5.16 2.45 0.47 2.61 1.43 0.12 -5.02 118.68 115.58 1kkr s LEU 160 Ca 0.21 -0.72 0.26 0.00 -1.03 0.00 0.00 54.13 52.84 1kkr s LEU 160 Cb -0.06 -1.30 1.12 0.00 0.03 0.00 0.00 46.19 45.98 1kkr s LEU 160 CO 0.82 0.17 1.92 1.55 0.23 0.00 0.00 176.35 181.03 1kkr h PRO 161 N 3.70 0.00 -4.58 1.29 0.13 -1.90 -3.42 132.00 127.21 1kkr h PRO 161 Ca -0.50 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.29 1kkr h PRO 161 Cb 1.18 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.40 1kkr h PRO 161 CO 0.43 0.19 -0.55 0.00 -0.23 0.00 0.00 178.00 177.83 1kkr s VAL 163 N -3.19 3.73 -0.68 0.00 1.01 -1.26 -4.94 120.40 115.07 1kkr s VAL 163 Ca 0.40 1.14 -0.27 0.00 0.00 0.00 0.00 61.98 63.24 1kkr s VAL 163 Cb -0.18 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.50 1kkr s VAL 163 CO 0.49 0.01 1.26 -2.84 0.00 0.00 0.00 175.10 174.03 1kkr s PRO 164 N 2.18 3.30 -0.07 2.72 0.02 -1.26 -4.96 135.00 136.93 1kkr s PRO 164 Ca 0.63 -0.03 -0.04 0.00 0.02 0.00 0.00 61.00 61.58 1kkr s PRO 164 Cb -0.31 -4.12 0.03 0.00 0.02 0.00 0.00 34.50 30.11 1kkr s PRO 164 CO 0.27 -1.99 0.16 -2.00 -0.33 0.00 0.00 177.00 173.11 1kkr s GLU 165 N 5.48 0.14 0.67 5.54 2.12 -1.26 -5.06 118.70 126.32 1kkr s GLU 165 Ca 0.39 0.31 -0.17 0.00 0.36 0.00 0.00 54.97 55.86 1kkr s GLU 165 Cb -0.08 -0.05 -0.05 0.00 0.26 0.00 0.00 34.13 34.21 1kkr s GLU 165 CO 0.19 -0.10 0.60 0.00 -0.54 0.00 0.00 175.26 175.41 1kkr n ALA 166 N 3.65 -1.16 -2.80 6.30 0.00 -1.26 -4.91 120.51 120.35 1kkr n ALA 166 Ca -0.20 -0.15 -0.34 0.00 0.00 0.00 0.00 53.44 52.75 1kkr n ALA 166 Cb 0.55 -1.89 -0.11 0.00 0.00 0.00 0.00 19.45 18.00 1kkr n ALA 166 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1kkr s ILE 167 N -1.81 3.86 0.24 0.00 -1.09 -1.26 -5.08 121.20 116.06 1kkr s ILE 167 Ca 0.68 -0.39 -0.31 0.00 -2.23 0.00 0.00 60.65 58.39 1kkr s ILE 167 Cb -0.38 -2.64 -0.12 0.00 -1.58 0.00 0.00 42.46 37.73 1kkr s ILE 167 CO 0.55 0.55 1.59 -2.65 -1.23 0.00 0.00 174.94 173.75 1kkr n PRO 168 N 2.89 2.51 -3.99 2.79 -0.02 -1.26 -4.98 135.00 132.94 1kkr n PRO 168 Ca -0.18 0.90 -0.33 0.00 -2.02 0.00 0.00 63.50 61.87 1kkr n PRO 168 Cb 0.53 -2.67 -0.06 0.00 -0.02 0.00 0.00 33.50 31.28 1kkr n PRO 168 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1kkr s LEU 169 N 0.29 4.15 -0.13 2.45 1.43 -1.26 -4.28 118.68 121.33 1kkr s LEU 169 Ca 0.70 0.24 0.01 0.00 -1.03 0.00 0.00 54.13 54.06 1kkr s LEU 169 Cb -0.56 -2.48 0.02 0.00 0.03 0.00 0.00 46.19 43.20 1kkr s LEU 169 CO 0.43 0.26 -0.16 0.12 0.23 0.00 0.00 176.35 177.23 1kkr s PHE 170 N -1.28 2.15 -0.07 0.29 5.36 -1.26 -1.13 117.98 122.04 1kkr s PHE 170 Ca 0.26 -1.10 -0.09 0.00 -0.96 0.00 0.00 56.93 55.04 1kkr s PHE 170 Cb -0.12 -1.55 -0.05 0.00 -0.34 0.00 0.00 43.02 40.96 1kkr s PHE 170 CO 0.17 -0.57 0.23 0.20 -1.46 0.00 0.00 175.22 173.80 1kkr s GLY 171 N 1.13 2.27 -0.06 13.12 0.00 -0.23 -0.45 107.32 123.11 1kkr s GLY 171 Ca -0.03 -0.50 0.05 0.00 0.00 0.00 0.00 44.72 44.24 1kkr s GLY 171 CO -0.05 -0.22 -0.22 -0.86 0.00 0.00 0.00 173.10 171.76 1kkr s GLN 172 N -1.09 2.61 0.02 2.90 -2.07 -1.26 -3.47 119.66 117.30 1kkr s GLN 172 Ca 0.19 -0.84 0.22 0.00 -1.82 0.00 0.00 55.36 53.11 1kkr s GLN 172 Cb -0.14 -2.25 -0.15 0.00 -1.09 0.00 0.00 33.01 29.39 1kkr s GLN 172 CO 0.08 0.42 0.81 -1.13 -1.32 0.00 0.00 175.29 174.15 1kkr n SER 173 N 2.86 0.50 0.00 12.60 3.41 -0.51 -4.69 113.62 127.79 1kkr n SER 173 Ca -0.17 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 1kkr n SER 173 Cb 0.52 1.23 0.00 0.00 -0.26 0.00 0.00 64.21 65.70 1kkr n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kkr n GLY 174 N 1.35 1.80 0.03 5.00 0.00 -1.26 -2.79 105.19 109.31 1kkr n GLY 174 Ca 0.00 -0.50 0.14 0.00 0.00 0.00 0.00 46.02 45.66 1kkr n GLY 174 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kkr n ASP 175 N -1.48 0.23 -2.35 1.61 8.00 -1.26 -4.00 116.55 117.29 1kkr n ASP 175 Ca 0.00 0.48 -0.17 0.00 0.71 0.00 0.00 54.79 55.82 1kkr n ASP 175 Cb 0.00 -0.53 -0.12 0.00 -0.02 0.00 0.00 41.12 40.44 1kkr n ASP 175 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1kkr n ASP 176 N -1.69 5.52 0.00 -2.24 2.03 -1.12 -4.66 116.55 114.38 1kkr n ASP 176 Ca 0.07 -2.42 0.12 0.00 0.52 0.00 0.00 54.79 53.08 1kkr n ASP 176 Cb 0.36 -1.33 0.71 0.00 -0.72 0.00 0.00 41.12 40.14 1kkr n ASP 176 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1kkr n ARG 177 N 2.84 0.78 -0.07 -0.67 1.85 -1.26 -2.16 116.66 117.96 1kkr n ARG 177 Ca 0.47 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 57.18 1kkr n ARG 177 Cb 0.68 -1.48 -0.05 0.00 -1.05 0.00 0.00 32.46 30.56 1kkr n ARG 177 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1kkr n TYR 178 N -0.98 0.00 -0.33 2.89 4.01 -1.26 -4.33 117.16 117.16 1kkr n TYR 178 Ca 0.18 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.88 1kkr n TYR 178 Cb 0.08 -0.51 0.09 0.00 -0.31 0.00 0.00 39.34 38.69 1kkr n TYR 178 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1kkr h ILE 179 N -0.64 1.24 0.00 -0.72 1.08 -1.96 -2.46 117.51 114.05 1kkr h ILE 179 Ca -0.28 -0.51 -0.08 0.00 -0.39 0.00 0.00 64.86 63.60 1kkr h ILE 179 Cb 1.10 -0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.82 1kkr h ILE 179 CO -0.17 0.25 -0.38 0.00 -0.69 0.00 0.00 178.15 177.16 1kkr h ALA 180 N 1.30 1.08 -0.57 1.87 0.00 -1.71 -2.22 119.26 119.01 1kkr h ALA 180 Ca 0.32 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1kkr h ALA 180 Cb -0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1kkr h ALA 180 CO -0.06 0.48 0.03 0.28 0.00 0.00 0.00 179.25 179.97 1kkr h VAL 181 N 0.00 1.26 0.47 0.00 2.07 -1.64 -3.02 116.25 115.39 1kkr h VAL 181 Ca -0.00 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 1kkr h VAL 181 Cb 0.83 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1kkr h VAL 181 CO 0.05 0.39 -0.25 0.44 0.02 0.00 0.00 177.57 178.23 1kkr h ASP 182 N 0.88 -0.60 0.00 0.57 3.32 -1.26 0.16 116.42 119.49 1kkr h ASP 182 Ca 0.17 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1kkr h ASP 182 Cb 0.51 0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1kkr h ASP 182 CO 0.02 -0.41 0.00 0.29 -1.72 0.00 0.00 179.24 177.43 1kkr n LYS 183 N -5.38 0.00 0.00 3.56 5.02 -0.95 -0.77 118.16 119.64 1kkr n LYS 183 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1kkr n LYS 183 Cb 0.29 -0.69 0.00 0.00 -0.02 0.00 0.00 35.03 34.61 1kkr n LYS 183 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1kkr n ILE 185 N 0.06 0.00 -0.01 -0.18 5.41 0.04 -2.03 119.36 122.66 1kkr n ILE 185 Ca 0.00 0.00 0.22 0.00 1.00 0.00 0.00 62.75 63.97 1kkr n ILE 185 Cb 0.00 0.00 0.71 0.00 -0.71 0.00 0.00 39.64 39.64 1kkr n ILE 185 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1kkr h LEU 186 N 0.00 0.00 -3.29 1.39 3.38 -1.21 -1.77 115.31 113.81 1kkr h LEU 186 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1kkr h LEU 186 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1kkr h LEU 186 CO 0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 1kkr n LYS 187 N -4.20 3.13 -2.04 1.13 5.02 -0.86 -4.98 118.16 115.37 1kkr n LYS 187 Ca 0.11 -2.88 -0.12 0.00 -2.02 0.00 0.00 58.31 53.40 1kkr n LYS 187 Cb 0.66 -1.89 -0.02 0.00 -0.02 0.00 0.00 35.03 33.77 1kkr n LYS 187 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kkr n GLY 188 N -0.39 0.19 3.76 0.72 0.00 -0.67 -4.89 105.19 103.91 1kkr n GLY 188 Ca 0.22 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1kkr n GLY 188 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kkr s VAL 189 N -2.57 2.79 0.13 1.61 1.01 -1.26 -4.90 120.40 117.21 1kkr s VAL 189 Ca 0.00 0.75 -0.11 0.00 0.00 0.00 0.00 61.98 62.62 1kkr s VAL 189 Cb 0.00 -3.47 -0.10 0.00 0.00 0.00 0.00 36.38 32.81 1kkr s VAL 189 CO 0.00 0.16 1.40 0.44 0.00 0.00 0.00 175.10 177.10 1kkr h ASP 190 N 4.00 0.94 -3.84 3.32 3.32 -1.90 -3.45 116.42 118.81 1kkr h ASP 190 Ca -0.48 -0.52 -0.36 0.00 0.02 0.00 0.00 57.03 55.69 1kkr h ASP 190 Cb 1.22 -0.27 -0.30 0.00 0.22 0.00 0.00 39.33 40.20 1kkr h ASP 190 CO 0.70 1.32 -0.77 -0.69 -1.72 0.00 0.00 179.24 178.08 1kkr s VAL 191 N -4.04 0.52 0.14 -1.35 1.01 -0.28 -1.82 120.40 114.57 1kkr s VAL 191 Ca -0.10 -0.24 -0.25 0.00 0.00 0.00 0.00 61.98 61.39 1kkr s VAL 191 Cb 0.10 -0.47 0.07 0.00 0.00 0.00 0.00 36.38 36.08 1kkr s VAL 191 CO 0.89 0.17 0.80 -1.48 0.00 0.00 0.00 175.10 175.48 1kkr s LEU 192 N 0.10 -0.34 -0.11 3.92 2.34 -0.61 -1.06 118.68 122.92 1kkr s LEU 192 Ca -0.01 -0.24 0.14 0.00 0.06 0.00 0.00 54.13 54.08 1kkr s LEU 192 Cb -0.05 2.35 0.29 0.00 -0.56 0.00 0.00 46.19 48.21 1kkr s LEU 192 CO -0.00 -0.94 1.14 -0.81 -1.06 0.00 0.00 176.35 174.68 1kkr n PRO 193 N -0.39 0.93 0.00 1.48 -0.04 -1.11 -0.42 135.00 135.46 1kkr n PRO 193 Ca -0.09 -2.38 0.00 0.00 -0.04 0.00 0.00 63.50 60.99 1kkr n PRO 193 Cb 0.62 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 1kkr n PRO 193 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1kkr n HIS 194 N -0.79 0.00 -0.37 0.54 -0.00 0.70 -1.42 115.22 113.88 1kkr n HIS 194 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 1kkr n HIS 194 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.73 1kkr n HIS 194 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1kkr n ALA 195 N 0.00 0.00 -3.88 1.57 0.00 -1.26 -0.66 120.51 116.28 1kkr n ALA 195 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1kkr n ALA 195 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1kkr n ALA 195 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1kkr n LEU 196 N 0.00 -2.23 -4.50 0.00 7.94 -1.26 -4.77 117.00 112.18 1kkr n LEU 196 Ca 0.00 -1.04 -0.44 0.00 -1.11 0.00 0.00 56.01 53.42 1kkr n LEU 196 Cb 0.00 -2.21 0.00 0.00 0.53 0.00 0.00 43.42 41.74 1kkr n LEU 196 CO 0.00 0.48 1.64 -0.38 -1.11 0.00 0.00 177.39 178.02 1kkr n ILE 197 N -4.39 4.13 -0.44 1.96 2.08 -0.71 -4.71 119.36 117.27 1kkr n ILE 197 Ca -0.22 -4.48 0.04 0.00 0.56 0.00 0.00 62.75 58.65 1kkr n ILE 197 Cb 0.64 -2.42 0.05 0.00 -0.75 0.00 0.00 39.64 37.16 1kkr n ILE 197 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1kkr n ASN 198 N 6.73 2.05 -3.85 4.38 6.94 -1.26 -3.87 115.26 126.37 1kkr n ASN 198 Ca 0.42 -2.37 -0.16 0.00 -0.02 0.00 0.00 54.58 52.45 1kkr n ASN 198 Cb 0.44 -0.16 -0.15 0.00 -2.36 0.00 0.00 39.78 37.55 1kkr n ASN 198 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1kkr s ASN 199 N -1.66 0.37 -0.01 0.53 3.84 -1.26 -4.99 114.94 111.75 1kkr s ASN 199 Ca 0.12 -0.03 -0.24 0.00 0.21 0.00 0.00 52.86 52.92 1kkr s ASN 199 Cb 0.10 -0.15 -0.17 0.00 -0.55 0.00 0.00 41.25 40.48 1kkr s ASN 199 CO 0.01 -0.05 1.13 0.58 -2.79 0.00 0.00 177.10 175.97 1kkr h VAL 200 N 5.84 0.85 -0.11 -5.21 2.07 -1.93 -1.50 116.25 116.25 1kkr h VAL 200 Ca -0.37 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 1kkr h VAL 200 Cb 1.16 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1kkr h VAL 200 CO 0.49 0.17 0.03 -0.33 0.02 0.00 0.00 177.57 177.95 1kkr h GLU 201 N -0.74 0.18 0.00 1.57 4.39 -1.97 0.25 114.58 118.26 1kkr h GLU 201 Ca -0.03 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1kkr h GLU 201 Cb 0.50 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1kkr h GLU 201 CO 0.05 0.33 -1.07 0.39 -1.16 0.00 0.00 179.01 177.55 1kkr n GLU 202 N -4.87 0.33 0.01 2.33 -0.58 -1.25 -4.02 120.64 112.58 1kkr n GLU 202 Ca -0.06 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1kkr n GLU 202 Cb 0.14 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 1kkr n GLU 202 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1kkr n LYS 203 N -2.03 0.00 -0.01 3.49 5.02 -0.65 -4.81 118.16 119.16 1kkr n LYS 203 Ca 0.01 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.13 1kkr n LYS 203 Cb 0.45 -0.43 -0.09 0.00 -0.02 0.00 0.00 35.03 34.95 1kkr n LYS 203 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1kkr h LEU 204 N 0.00 0.84 0.00 -0.35 5.85 -1.38 -3.26 115.31 117.01 1kkr h LEU 204 Ca 0.00 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.05 1kkr h LEU 204 Cb 0.70 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1kkr h LEU 204 CO 0.00 1.38 0.00 0.61 -0.34 0.00 0.00 178.44 180.09 1kkr n GLY 205 N 0.82 -1.33 0.29 3.75 0.00 0.86 -1.05 105.19 108.53 1kkr n GLY 205 Ca -0.09 -1.34 0.13 0.00 0.00 0.00 0.00 46.02 44.72 1kkr n GLY 205 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1kkr h PHE 206 N 0.00 0.00 -0.19 1.61 -0.00 -1.78 -0.01 116.94 116.57 1kkr h PHE 206 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1kkr h PHE 206 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.95 1kkr h PHE 206 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.31 179.94 1kkr n LYS 207 N -4.10 2.57 -0.99 6.09 4.01 -1.26 -4.82 118.16 119.66 1kkr n LYS 207 Ca -0.03 -2.47 0.00 0.00 -0.51 0.00 0.00 58.31 55.31 1kkr n LYS 207 Cb 0.11 -1.55 0.00 0.00 -0.51 0.00 0.00 35.03 33.07 1kkr n LYS 207 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1kkr n GLY 208 N -0.49 0.67 0.15 0.72 0.00 -0.02 -4.92 105.19 101.31 1kkr n GLY 208 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 1kkr n GLY 208 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1kkr h GLU 209 N 1.73 0.00 -0.46 1.61 4.39 -1.79 -2.05 114.58 118.01 1kkr h GLU 209 Ca 0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1kkr h GLU 209 Cb 0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1kkr h GLU 209 CO 0.00 0.52 0.02 0.87 -1.16 0.00 0.00 179.01 179.26 1kkr h LYS 210 N 0.00 0.80 -0.40 2.33 1.57 -1.66 -2.01 116.57 117.20 1kkr h LYS 210 Ca -0.01 -0.25 -0.10 0.00 -1.87 0.00 0.00 60.65 58.43 1kkr h LYS 210 Cb 1.19 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 1kkr h LYS 210 CO 0.07 0.85 -0.16 1.25 -0.57 0.00 0.00 179.45 180.89 1kkr h LEU 211 N 0.65 0.75 -0.10 2.94 5.85 -0.92 -0.44 115.31 124.04 1kkr h LEU 211 Ca 0.13 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1kkr h LEU 211 Cb 0.48 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1kkr h LEU 211 CO 0.02 0.92 0.03 -0.09 -0.34 0.00 0.00 178.44 178.98 1kkr h ARG 212 N 0.67 0.08 -0.24 1.25 2.43 -1.13 0.15 114.38 117.59 1kkr h ARG 212 Ca 0.11 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1kkr h ARG 212 Cb 0.64 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1kkr h ARG 212 CO 0.05 0.05 -0.06 0.93 -1.51 0.00 0.00 179.97 179.43 1kkr h GLU 213 N 0.09 0.38 -0.31 0.20 5.08 -1.20 -2.63 114.58 116.19 1kkr h GLU 213 Ca 0.04 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1kkr h GLU 213 Cb 0.02 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1kkr h GLU 213 CO -0.04 0.46 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.50 1kkr h TYR 214 N 0.36 0.60 -0.28 4.33 3.20 0.60 -1.57 116.97 124.22 1kkr h TYR 214 Ca 0.08 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1kkr h TYR 214 Cb 0.34 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1kkr h TYR 214 CO 0.01 0.68 0.13 0.28 -1.64 0.00 0.00 178.16 177.62 1kkr h VAL 215 N 0.35 1.10 -0.24 1.81 2.07 -0.45 -1.21 116.25 119.69 1kkr h VAL 215 Ca 0.09 -0.30 -0.18 0.00 0.82 0.00 0.00 66.70 67.14 1kkr h VAL 215 Cb 0.44 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1kkr h VAL 215 CO 0.02 0.12 -0.55 -0.09 0.02 0.00 0.00 177.57 177.08 1kkr h ARG 216 N 0.38 0.74 -0.49 1.57 9.65 -1.18 -0.98 114.38 124.07 1kkr h ARG 216 Ca 0.10 -0.47 -0.12 0.00 -1.10 0.00 0.00 59.98 58.39 1kkr h ARG 216 Cb 0.05 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 1kkr h ARG 216 CO -0.01 1.10 -0.17 2.35 2.80 0.00 0.00 179.97 186.04 1kkr h TRP 217 N 0.57 1.10 0.46 2.20 7.01 -0.73 -0.59 115.95 125.96 1kkr h TRP 217 Ca 0.01 -0.25 -0.02 0.00 2.11 0.00 0.00 58.89 60.73 1kkr h TRP 217 Cb 1.14 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.94 1kkr h TRP 217 CO 0.06 1.07 -0.22 1.25 -2.79 0.00 0.00 178.44 177.81 1kkr h LEU 218 N 0.83 -0.52 -0.37 0.65 5.85 -0.98 0.20 115.31 120.97 1kkr h LEU 218 Ca 0.12 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1kkr h LEU 218 Cb 0.74 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 1kkr h LEU 218 CO 0.06 -0.31 0.21 0.77 -0.34 0.00 0.00 178.44 178.83 1kkr h SER 219 N -0.69 0.33 -1.00 1.25 4.64 -1.21 -1.08 113.55 115.79 1kkr h SER 219 Ca -0.06 0.01 0.06 0.00 -0.47 0.00 0.00 61.79 61.32 1kkr h SER 219 Cb 0.51 -0.06 -0.07 0.00 -0.31 0.00 0.00 62.40 62.47 1kkr h SER 219 CO 0.10 0.24 0.64 0.44 -0.87 0.00 0.00 176.83 177.39 1kkr h ASP 220 N 0.43 1.04 -0.39 4.97 3.32 -0.96 -0.38 116.42 124.45 1kkr h ASP 220 Ca 0.15 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1kkr h ASP 220 Cb 0.02 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1kkr h ASP 220 CO -0.08 0.67 0.07 -0.09 -1.72 0.00 0.00 179.24 178.09 1kkr h ARG 221 N 1.18 0.64 0.38 3.56 9.65 -0.16 -1.06 114.38 128.58 1kkr h ARG 221 Ca 0.43 -0.17 -0.02 0.00 -1.10 0.00 0.00 59.98 59.12 1kkr h ARG 221 Cb 0.14 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 1kkr h ARG 221 CO -0.17 0.69 -0.19 0.82 2.80 0.00 0.00 179.97 183.92 1kkr h ILE 222 N 0.49 0.61 -0.78 1.20 2.04 -0.45 0.71 117.51 121.33 1kkr h ILE 222 Ca 0.12 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 1kkr h ILE 222 Cb 0.35 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 1kkr h ILE 222 CO 0.01 0.00 0.43 -0.07 0.00 0.00 0.00 178.15 178.52 1kkr h LEU 223 N -0.52 0.97 0.15 1.44 3.38 -1.02 -0.67 115.31 119.04 1kkr h LEU 223 Ca -0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1kkr h LEU 223 Cb 0.41 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1kkr h LEU 223 CO 0.08 0.78 -0.07 -1.28 0.09 0.00 0.00 178.44 178.03 1kkr h SER 224 N 1.09 -0.17 0.99 -0.43 0.87 -1.13 -3.34 113.55 111.42 1kkr h SER 224 Ca 0.28 -0.33 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1kkr h SER 224 Cb 0.02 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1kkr h SER 224 CO -0.05 0.41 -0.04 -0.07 -0.53 0.00 0.00 176.83 176.55 1kkr h LEU 225 N -0.92 0.00-10.02 2.23 4.07 -0.80 -3.46 115.31 106.41 1kkr h LEU 225 Ca -0.02 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.40 1kkr h LEU 225 Cb 0.50 0.00 0.11 0.00 1.08 0.00 0.00 40.66 42.35 1kkr h LEU 225 CO 0.03 0.04 0.60 0.00 -1.08 0.00 0.00 178.44 178.04 1kkr s ARG 226 N -3.68 3.43 0.19 1.13 1.70 -0.26 -4.92 118.95 116.54 1kkr s ARG 226 Ca 0.01 2.17 -0.08 0.00 -0.47 0.00 0.00 55.73 57.36 1kkr s ARG 226 Cb 0.09 -2.40 0.10 0.00 -0.57 0.00 0.00 34.95 32.17 1kkr s ARG 226 CO 0.56 -0.93 1.65 0.77 -1.08 0.00 0.00 175.30 176.27 1kkr h SER 227 N 1.84 1.02 -5.26 -2.89 0.02 -1.90 -3.47 113.55 102.91 1kkr h SER 227 Ca -0.50 -0.29 -0.11 0.00 -0.84 0.00 0.00 61.79 60.04 1kkr h SER 227 Cb 1.28 -0.27 -0.13 0.00 0.14 0.00 0.00 62.40 63.41 1kkr h SER 227 CO 0.59 1.08 -0.41 -0.94 -1.14 0.00 0.00 176.83 176.01 1kkr s SER 228 N -6.60 0.14 0.00 3.07 1.04 -1.26 -5.02 113.70 105.07 1kkr s SER 228 Ca -0.11 -0.88 0.24 0.00 0.48 0.00 0.00 55.95 55.68 1kkr s SER 228 Cb 0.14 0.37 1.34 0.00 0.10 0.00 0.00 66.02 67.97 1kkr s SER 228 CO 0.85 -0.80 1.80 -2.65 0.98 0.00 0.00 173.24 173.43 1kkr n PRO 229 N -0.13 0.58 0.19 4.02 -0.02 -1.26 -1.67 135.00 136.71 1kkr n PRO 229 Ca -0.10 0.03 0.04 0.00 -2.02 0.00 0.00 63.50 61.45 1kkr n PRO 229 Cb 0.63 -1.50 0.35 0.00 -0.02 0.00 0.00 33.50 32.96 1kkr n PRO 229 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kkr h ARG 230 N 0.00 0.00 -6.39 -0.52 3.08 -2.00 -3.40 114.38 105.14 1kkr h ARG 230 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 1kkr h ARG 230 Cb 0.09 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.09 1kkr h ARG 230 CO 0.00 0.40 1.14 -0.47 -1.07 0.00 0.00 179.97 179.97 1kkr s TYR 231 N -3.85 2.19 -0.41 3.04 5.04 -0.67 -4.88 117.35 117.81 1kkr s TYR 231 Ca -0.01 0.60 0.07 0.00 -2.44 0.00 0.00 57.07 55.29 1kkr s TYR 231 Cb 0.13 -4.29 0.24 0.00 0.35 0.00 0.00 41.96 38.38 1kkr s TYR 231 CO 0.70 -2.16 0.51 1.58 -1.34 0.00 0.00 175.55 174.85 1kkr n HIS 232 N 9.73 -0.21 -1.86 4.97 -0.00 -1.26 -4.98 115.22 121.60 1kkr n HIS 232 Ca 0.16 -3.57 -0.29 0.00 -0.00 0.00 0.00 57.72 54.02 1kkr n HIS 232 Cb 0.49 -0.30 0.08 0.00 -0.00 0.00 0.00 29.99 30.26 1kkr n HIS 232 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1kkr s PRO 233 N -1.12 2.18 0.06 1.57 0.04 -1.26 -4.97 135.00 131.50 1kkr s PRO 233 Ca 0.35 0.24 -0.08 0.00 0.04 0.00 0.00 61.00 61.55 1kkr s PRO 233 Cb 0.15 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.68 1kkr s PRO 233 CO -0.11 -1.47 0.36 0.99 0.04 0.00 0.00 177.00 176.80 1kkr s THR 234 N -3.49 5.17 -0.17 1.26 2.01 -0.76 -4.33 115.64 115.33 1kkr s THR 234 Ca 0.61 0.31 -0.09 0.00 0.31 0.00 0.00 61.69 62.83 1kkr s THR 234 Cb -0.11 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 1kkr s THR 234 CO 0.50 0.28 0.13 -0.76 -0.69 0.00 0.00 174.62 174.09 1kkr s LEU 235 N -1.95 4.27 -0.11 4.42 1.43 0.17 -1.57 118.68 125.34 1kkr s LEU 235 Ca 0.32 0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 53.70 1kkr s LEU 235 Cb -0.13 -2.08 0.05 0.00 0.03 0.00 0.00 46.19 44.05 1kkr s LEU 235 CO 0.18 0.26 0.09 -2.28 0.23 0.00 0.00 176.35 174.83 1kkr s HIS 236 N -0.11 0.08 -0.07 0.29 2.46 0.44 -0.51 115.29 117.87 1kkr s HIS 236 Ca 0.10 0.02 0.01 0.00 0.47 0.00 0.00 55.06 55.66 1kkr s HIS 236 Cb -0.11 -0.55 0.02 0.00 -0.13 0.00 0.00 32.58 31.80 1kkr s HIS 236 CO 0.00 -0.37 -0.07 0.42 -2.47 0.00 0.00 174.74 172.25 1kkr s ILE 237 N 2.17 0.82 -0.25 0.89 1.01 -0.63 -0.22 121.20 125.00 1kkr s ILE 237 Ca 0.04 -0.24 -0.13 0.00 0.00 0.00 0.00 60.65 60.32 1kkr s ILE 237 Cb -0.14 -0.83 -0.05 0.00 0.01 0.00 0.00 42.46 41.46 1kkr s ILE 237 CO -0.07 0.31 0.26 -0.62 0.00 0.00 0.00 174.94 174.82 1kkr s ASP 238 N 1.18 6.18 0.00 3.58 -1.08 0.16 -1.00 116.67 125.69 1kkr s ASP 238 Ca -0.06 0.19 0.17 0.00 -0.52 0.00 0.00 52.55 52.34 1kkr s ASP 238 Cb -0.14 -2.16 0.26 0.00 -1.46 0.00 0.00 42.92 39.42 1kkr s ASP 238 CO -0.02 -0.05 1.18 1.33 0.52 0.00 0.00 175.17 178.13 1kkr n VAL 239 N 4.69 0.34 -3.58 1.11 0.24 -0.12 -1.74 118.33 119.27 1kkr n VAL 239 Ca -0.12 -0.67 -0.26 0.00 -2.04 0.00 0.00 64.34 61.25 1kkr n VAL 239 Cb 0.52 1.08 -0.00 0.00 -1.47 0.00 0.00 33.84 33.96 1kkr n VAL 239 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kkr n TYR 240 N 1.04 -1.85 -0.04 6.34 -0.00 -1.22 -0.52 117.16 120.91 1kkr n TYR 240 Ca 0.13 0.58 0.00 0.00 -0.00 0.00 0.00 57.90 58.62 1kkr n TYR 240 Cb 0.47 -3.11 0.00 0.00 -0.00 0.00 0.00 39.34 36.70 1kkr n TYR 240 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1kkr n GLY 241 N -1.28 1.84 0.30 2.98 0.00 0.18 -4.92 105.19 104.28 1kkr n GLY 241 Ca 0.01 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 1kkr n GLY 241 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1kkr h THR 242 N 0.00 0.23 -0.23 2.61 1.35 -0.93 -2.99 112.91 112.95 1kkr h THR 242 Ca 0.00 -0.29 -0.09 0.00 -0.55 0.00 0.00 66.41 65.48 1kkr h THR 242 Cb 0.00 1.23 -0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1kkr h THR 242 CO 0.00 0.04 -0.19 0.40 -0.25 0.00 0.00 175.52 175.52 1kkr h ILE 243 N 0.00 1.32 -0.95 6.82 2.04 -1.73 -2.48 117.51 122.52 1kkr h ILE 243 Ca -0.00 -1.33 0.12 0.00 1.00 0.00 0.00 64.86 64.65 1kkr h ILE 243 Cb 0.23 1.67 -0.08 0.00 -0.74 0.00 0.00 36.82 37.91 1kkr h ILE 243 CO 0.01 0.41 0.60 1.23 0.00 0.00 0.00 178.15 180.40 1kkr h GLY 244 N 0.23 1.44 2.00 5.37 0.00 -1.31 -2.46 103.07 108.34 1kkr h GLY 244 Ca 0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 1kkr h GLY 244 CO 0.05 0.15 -0.10 1.41 0.00 0.00 0.00 176.54 178.05 1kkr h LEU 245 N 0.89 0.00 -1.26 3.11 3.38 -1.52 -2.29 115.31 117.63 1kkr h LEU 245 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1kkr h LEU 245 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1kkr h LEU 245 CO -0.23 0.10 -0.23 2.30 0.09 0.00 0.00 178.44 180.48 1kkr n ILE 246 N -3.60 0.00 -2.41 1.22 -5.35 -0.94 -4.36 119.36 103.91 1kkr n ILE 246 Ca -0.02 -0.33 -0.17 0.00 -0.27 0.00 0.00 62.75 61.97 1kkr n ILE 246 Cb 0.22 1.14 0.02 0.00 -1.74 0.00 0.00 39.64 39.29 1kkr n ILE 246 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1kkr n PHE 247 N 0.40 2.33 0.00 4.28 3.72 -0.87 -4.97 117.46 122.36 1kkr n PHE 247 Ca 0.12 -2.50 0.00 0.00 -0.05 0.00 0.00 57.45 55.02 1kkr n PHE 247 Cb 0.49 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 1kkr n PHE 247 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1kkr n ASP 248 N -0.53 0.00 0.00 4.37 10.43 -1.17 -4.78 116.55 124.87 1kkr n ASP 248 Ca 0.29 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.65 1kkr n ASP 248 Cb 0.83 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.79 1kkr n ASP 248 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1kkr n ASP 250 N 0.00 0.00 0.29 -2.24 -0.08 -1.26 -5.06 116.55 108.20 1kkr n ASP 250 Ca 0.00 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.43 1kkr n ASP 250 Cb 0.00 0.00 0.88 0.00 2.34 0.00 0.00 41.12 44.34 1kkr n ASP 250 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1kkr h PRO 251 N 0.00 0.00 -0.18 -0.67 0.13 -1.94 -1.27 132.00 128.06 1kkr h PRO 251 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.99 1kkr h PRO 251 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1kkr h PRO 251 CO 0.00 0.05 -0.42 0.28 -0.23 0.00 0.00 178.00 177.68 1kkr h VAL 252 N 0.00 1.33 -0.10 1.56 2.07 -1.95 -0.89 116.25 118.27 1kkr h VAL 252 Ca -0.00 -1.66 -0.13 0.00 0.82 0.00 0.00 66.70 65.73 1kkr h VAL 252 Cb 0.15 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1kkr h VAL 252 CO 0.01 0.51 -0.51 0.03 0.02 0.00 0.00 177.57 177.63 1kkr h ARG 253 N 0.28 0.27 -0.11 1.57 3.08 -1.77 -0.37 114.38 117.32 1kkr h ARG 253 Ca -0.00 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1kkr h ARG 253 Cb 1.03 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 1kkr h ARG 253 CO 0.09 0.72 0.04 0.00 -1.07 0.00 0.00 179.97 179.75 1kkr h ALA 255 N 0.89 1.05 -0.55 0.00 0.00 -0.70 -0.35 119.26 119.60 1kkr h ALA 255 Ca 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1kkr h ALA 255 Cb 0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1kkr h ALA 255 CO -0.00 0.07 0.31 1.49 0.00 0.00 0.00 179.25 181.12 1kkr h GLU 256 N 0.74 0.75 -0.23 0.00 4.81 -0.60 -0.24 114.58 119.81 1kkr h GLU 256 Ca 0.36 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 1kkr h GLU 256 Cb 0.29 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1kkr h GLU 256 CO -0.22 0.57 -0.02 -0.92 -0.73 0.00 0.00 179.01 177.69 1kkr h TYR 257 N 0.73 0.47 -0.48 0.92 3.20 -0.50 -2.72 116.97 118.60 1kkr h TYR 257 Ca 0.19 -0.09 0.10 0.00 3.14 0.00 0.00 58.73 62.07 1kkr h TYR 257 Cb 0.02 -0.12 -0.09 0.00 1.54 0.00 0.00 36.73 38.08 1kkr h TYR 257 CO -0.02 0.61 -0.12 0.82 -1.64 0.00 0.00 178.16 177.82 1kkr h ILE 258 N 0.18 0.52 -0.02 1.81 2.04 -0.59 -1.19 117.51 120.26 1kkr h ILE 258 Ca 0.06 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 1kkr h ILE 258 Cb 0.44 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1kkr h ILE 258 CO 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 178.15 1kkr h ALA 259 N 1.48 1.95 0.00 1.87 0.00 -0.92 0.62 119.26 124.26 1kkr h ALA 259 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1kkr h ALA 259 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1kkr h ALA 259 CO -0.49 0.04 0.00 -1.13 0.00 0.00 0.00 179.25 177.67 1kkr n SER 260 N -4.51 0.29 0.11 0.00 3.41 -0.46 -2.27 113.62 110.18 1kkr n SER 260 Ca -0.03 0.55 0.01 0.00 -0.26 0.00 0.00 58.87 59.14 1kkr n SER 260 Cb 0.11 -0.62 -0.01 0.00 -0.26 0.00 0.00 64.21 63.42 1kkr n SER 260 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1kkr h LEU 261 N 0.00 0.00 -0.79 1.04 3.38 -0.72 -3.36 115.31 114.86 1kkr h LEU 261 Ca 0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.15 1kkr h LEU 261 Cb 0.40 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.03 1kkr h LEU 261 CO 0.00 0.59 0.26 -0.08 0.09 0.00 0.00 178.44 179.31 1kkr h GLU 262 N 0.00 0.33 -0.76 1.13 4.81 -1.55 -0.86 114.58 117.67 1kkr h GLU 262 Ca -0.03 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.29 1kkr h GLU 262 Cb 1.48 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.73 1kkr h GLU 262 CO 0.07 0.22 0.50 0.87 -0.73 0.00 0.00 179.01 179.94 1kkr h LYS 263 N 0.34 0.62 0.00 1.92 1.57 -1.79 -0.92 116.57 118.31 1kkr h LYS 263 Ca 0.46 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1kkr h LYS 263 Cb 0.80 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1kkr h LYS 263 CO -0.50 0.41 0.00 0.39 -0.57 0.00 0.00 179.45 179.18 1kkr n GLU 264 N -4.50 0.18 0.12 3.15 -0.58 -0.33 -2.52 120.64 116.16 1kkr n GLU 264 Ca 0.13 0.26 0.13 0.00 -0.42 0.00 0.00 57.16 57.26 1kkr n GLU 264 Cb 0.37 -1.76 0.32 0.00 -0.57 0.00 0.00 31.44 29.80 1kkr n GLU 264 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1kkr h ALA 265 N 2.49 0.93 -6.04 0.62 0.00 -1.17 -3.33 119.26 112.77 1kkr h ALA 265 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.51 1kkr h ALA 265 Cb 0.54 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.40 1kkr h ALA 265 CO 0.00 0.00 -0.85 1.04 0.00 0.00 0.00 179.25 179.44 1kkr n GLN 266 N -2.41 -4.02 0.00 0.00 6.02 -1.05 -1.82 117.38 114.10 1kkr n GLN 266 Ca 0.05 0.62 0.00 0.00 -0.01 0.00 0.00 57.00 57.66 1kkr n GLN 266 Cb 0.45 -5.07 0.00 0.00 1.02 0.00 0.00 30.24 26.64 1kkr n GLN 266 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kkr n GLY 267 N -1.55 2.37 3.70 1.08 0.00 -1.26 -5.02 105.19 104.51 1kkr n GLY 267 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1kkr n GLY 267 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kkr s LEU 268 N 0.00 4.32 0.66 0.99 1.43 -0.75 -4.99 118.68 120.34 1kkr s LEU 268 Ca 0.00 1.54 -0.17 0.00 -1.03 0.00 0.00 54.13 54.47 1kkr s LEU 268 Cb 0.00 -3.48 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 1kkr s LEU 268 CO 0.00 -0.29 1.06 -2.65 0.23 0.00 0.00 176.35 174.70 1kkr n PRO 269 N 4.20 0.79 -4.74 1.29 -0.02 -1.26 -4.75 135.00 130.51 1kkr n PRO 269 Ca 0.06 0.32 -0.24 0.00 -2.02 0.00 0.00 63.50 61.62 1kkr n PRO 269 Cb 0.50 -2.29 -0.16 0.00 -0.02 0.00 0.00 33.50 31.54 1kkr n PRO 269 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1kkr s LEU 270 N -3.12 1.95 -0.03 2.45 2.96 -1.26 -0.65 118.68 120.97 1kkr s LEU 270 Ca 0.77 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 54.41 1kkr s LEU 270 Cb -0.38 -0.84 0.00 0.00 0.50 0.00 0.00 46.19 45.47 1kkr s LEU 270 CO 0.46 0.16 -0.11 -0.31 -1.32 0.00 0.00 176.35 175.23 1kkr s TYR 271 N -0.14 1.19 -0.20 5.38 1.51 0.33 -1.44 117.35 123.98 1kkr s TYR 271 Ca 0.01 -0.32 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 1kkr s TYR 271 Cb -0.09 -0.84 0.03 0.00 -0.11 0.00 0.00 41.96 40.96 1kkr s TYR 271 CO 0.01 -0.13 -0.17 0.42 -1.11 0.00 0.00 175.55 174.57 1kkr s ILE 272 N 0.20 2.00 -0.08 2.71 -1.09 0.09 -1.60 121.20 123.43 1kkr s ILE 272 Ca -0.04 -1.07 -0.10 0.00 -2.23 0.00 0.00 60.65 57.21 1kkr s ILE 272 Cb -0.10 -1.90 -0.05 0.00 -1.58 0.00 0.00 42.46 38.83 1kkr s ILE 272 CO 0.01 0.37 0.23 -0.70 -1.23 0.00 0.00 174.94 173.62 1kkr s GLU 273 N 1.28 3.61 -1.19 2.79 2.12 -0.17 -1.19 118.70 125.95 1kkr s GLU 273 Ca 0.01 0.05 -0.02 0.00 0.36 0.00 0.00 54.97 55.38 1kkr s GLU 273 Cb -0.15 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.04 1kkr s GLU 273 CO -0.11 0.74 1.00 0.41 -0.54 0.00 0.00 175.26 176.77 1kkr n GLY 274 N 1.95 -0.36 0.37 -1.50 0.00 -0.05 -0.94 105.19 104.65 1kkr n GLY 274 Ca -0.18 0.11 0.02 0.00 0.00 0.00 0.00 46.02 45.97 1kkr n GLY 274 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kkr h PRO 275 N -1.98 1.12 -5.00 1.61 0.13 -1.80 0.51 132.00 126.58 1kkr h PRO 275 Ca -0.57 -0.07 -0.37 0.00 -0.87 0.00 0.00 66.00 64.12 1kkr h PRO 275 Cb 1.33 -0.25 -0.14 0.00 0.13 0.00 0.00 31.00 32.07 1kkr h PRO 275 CO 0.49 0.74 -0.64 0.14 -0.23 0.00 0.00 178.00 178.51 1kkr s VAL 276 N -6.00 0.85 -0.33 1.56 -7.23 -1.26 -2.38 120.40 105.60 1kkr s VAL 276 Ca -0.12 -2.01 -0.00 0.00 -1.81 0.00 0.00 61.98 58.03 1kkr s VAL 276 Cb 0.20 -2.49 0.13 0.00 0.56 0.00 0.00 36.38 34.78 1kkr s VAL 276 CO 0.81 -0.18 0.24 -0.62 -0.31 0.00 0.00 175.10 175.04 1kkr s ASP 277 N -3.32 2.48 0.00 4.85 -1.08 -1.26 -4.56 116.67 113.78 1kkr s ASP 277 Ca 0.32 -1.56 0.19 0.00 -0.52 0.00 0.00 52.55 50.98 1kkr s ASP 277 Cb 0.07 -0.01 0.89 0.00 -1.46 0.00 0.00 42.92 42.41 1kkr s ASP 277 CO 0.11 -0.35 1.59 0.00 0.52 0.00 0.00 175.17 177.04 1kkr n ALA 278 N 4.63 1.94 -0.68 3.66 0.00 -1.26 -4.95 120.51 123.85 1kkr n ALA 278 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1kkr n ALA 278 Cb 0.42 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1kkr n ALA 278 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kkr n GLY 279 N 0.36 0.63 3.58 0.00 0.00 -1.26 -4.81 105.19 103.70 1kkr n GLY 279 Ca 0.07 -0.25 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 1kkr n GLY 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kkr s ASN 280 N -2.23 -0.21 0.07 1.61 2.20 -1.26 -5.08 114.94 110.04 1kkr s ASN 280 Ca 0.00 0.09 -0.35 0.00 -0.94 0.00 0.00 52.86 51.66 1kkr s ASN 280 Cb 0.00 0.20 -0.20 0.00 -2.00 0.00 0.00 41.25 39.25 1kkr s ASN 280 CO 0.00 -0.29 1.60 0.50 -2.94 0.00 0.00 177.10 175.96 1kkr h LYS 281 N 2.13 -1.09 -1.00 3.55 3.64 -1.95 -2.39 116.57 119.46 1kkr h LYS 281 Ca -0.13 0.07 0.10 0.00 -1.27 0.00 0.00 60.65 59.43 1kkr h LYS 281 Cb 1.18 0.25 -0.08 0.00 -0.41 0.00 0.00 32.23 33.17 1kkr h LYS 281 CO 0.26 -0.72 0.64 -1.35 -2.27 0.00 0.00 179.45 176.00 1kkr h PRO 282 N -1.13 1.02 -0.01 1.90 0.11 -1.99 0.09 132.00 132.01 1kkr h PRO 282 Ca -0.11 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 65.76 1kkr h PRO 282 Cb 0.87 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 1kkr h PRO 282 CO 0.18 0.68 -0.78 -0.44 -0.21 0.00 0.00 178.00 177.42 1kkr h ASP 283 N 1.05 0.12 0.24 -2.05 3.32 -1.91 -2.68 116.42 114.51 1kkr h ASP 283 Ca 0.48 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 1kkr h ASP 283 Cb 0.39 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1kkr h ASP 283 CO -0.23 0.85 -0.11 -0.61 -1.72 0.00 0.00 179.24 177.41 1kkr h GLN 284 N 0.06 -0.30 -0.46 3.56 5.75 -0.47 -3.02 115.11 120.22 1kkr h GLN 284 Ca -0.02 0.02 0.09 0.00 -0.15 0.00 0.00 58.65 58.59 1kkr h GLN 284 Cb 1.37 0.07 -0.10 0.00 1.07 0.00 0.00 27.48 29.90 1kkr h GLN 284 CO 0.11 -0.15 -0.24 0.82 -2.65 0.00 0.00 178.83 176.73 1kkr h ILE 285 N -0.39 0.33 0.00 2.39 2.04 -1.29 -0.94 117.51 119.65 1kkr h ILE 285 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1kkr h ILE 285 Cb 0.30 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1kkr h ILE 285 CO 0.05 0.00 0.00 0.54 0.00 0.00 0.00 178.15 178.74 1kkr n ARG 286 N -5.40 0.12 0.00 2.37 1.74 -1.01 -1.45 116.66 113.02 1kkr n ARG 286 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1kkr n ARG 286 Cb 0.32 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 1kkr n ARG 286 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1kkr n LEU 288 N 0.81 0.00 -0.06 0.55 4.77 -0.36 -1.42 117.00 121.29 1kkr n LEU 288 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1kkr n LEU 288 Cb 0.05 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1kkr n LEU 288 CO 0.00 0.00 0.70 0.74 -1.33 0.00 0.00 177.39 177.50 1kkr h THR 289 N 0.00 0.39 -0.95 -5.08 2.02 -0.66 -0.59 112.91 108.04 1kkr h THR 289 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1kkr h THR 289 Cb 0.00 0.39 -0.05 0.00 -1.74 0.00 0.00 68.15 66.76 1kkr h THR 289 CO 0.00 0.00 0.59 0.00 0.37 0.00 0.00 175.52 176.48 1kkr h ALA 290 N 0.84 1.25 -0.70 6.16 0.00 -1.51 -1.32 119.26 123.99 1kkr h ALA 290 Ca 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1kkr h ALA 290 Cb 0.45 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1kkr h ALA 290 CO -0.40 0.66 0.35 0.82 0.00 0.00 0.00 179.25 180.68 1kkr h ILE 291 N 1.30 1.23 -0.06 0.00 2.04 -1.58 -2.80 117.51 117.64 1kkr h ILE 291 Ca 0.34 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1kkr h ILE 291 Cb -0.08 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1kkr h ILE 291 CO -0.07 0.26 0.02 0.74 0.00 0.00 0.00 178.15 179.10 1kkr h THR 292 N 0.97 1.14 -0.71 -0.27 2.02 -0.55 -2.03 112.91 113.47 1kkr h THR 292 Ca 0.24 -0.41 0.16 0.00 0.77 0.00 0.00 66.41 67.17 1kkr h THR 292 Cb 0.09 1.31 -0.11 0.00 -1.74 0.00 0.00 68.15 67.70 1kkr h THR 292 CO -0.03 0.11 0.09 0.50 0.37 0.00 0.00 175.52 176.56 1kkr h LYS 293 N -0.07 0.17 -0.30 6.66 3.64 -1.21 -1.07 116.57 124.40 1kkr h LYS 293 Ca 0.02 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1kkr h LYS 293 Cb 0.16 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1kkr h LYS 293 CO -0.00 0.12 -0.11 1.49 -2.27 0.00 0.00 179.45 178.67 1kkr h GLU 294 N 0.18 0.60 -0.65 1.90 4.57 -1.31 -0.30 114.58 119.57 1kkr h GLU 294 Ca 0.39 -0.25 0.10 0.00 -1.18 0.00 0.00 59.36 58.42 1kkr h GLU 294 Cb 0.68 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.17 1kkr h GLU 294 CO -0.56 0.81 0.28 -0.07 -1.18 0.00 0.00 179.01 178.29 1kkr h LEU 295 N 0.36 0.31 0.26 1.64 3.38 -0.65 0.19 115.31 120.80 1kkr h LEU 295 Ca 0.07 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1kkr h LEU 295 Cb 0.61 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1kkr h LEU 295 CO 0.04 0.17 -0.12 0.74 0.09 0.00 0.00 178.44 179.35 1kkr h THR 296 N 0.47 0.76 -0.90 0.22 2.02 -1.12 0.31 112.91 114.68 1kkr h THR 296 Ca 0.33 -0.09 0.23 0.00 0.77 0.00 0.00 66.41 67.65 1kkr h THR 296 Cb 0.40 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 1kkr h THR 296 CO -0.30 0.02 0.62 -0.09 0.37 0.00 0.00 175.52 176.13 1kkr h ARG 297 N -0.39 0.21 -0.01 6.66 2.43 -0.05 1.03 114.38 124.26 1kkr h ARG 297 Ca -0.04 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1kkr h ARG 297 Cb 0.30 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1kkr h ARG 297 CO 0.06 0.14 -0.07 1.28 -1.51 0.00 0.00 179.97 179.86 1kkr n LEU 298 N -4.41 0.68 -2.19 3.80 4.77 0.57 -4.89 117.00 115.34 1kkr n LEU 298 Ca 0.19 -0.14 -0.18 0.00 -0.03 0.00 0.00 56.01 55.85 1kkr n LEU 298 Cb 0.82 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.83 1kkr n LEU 298 CO 0.34 0.12 -0.13 0.61 -1.33 0.00 0.00 177.39 177.00 1kkr n GLY 299 N 1.20 -0.33 3.77 -0.72 0.00 0.36 -4.97 105.19 104.50 1kkr n GLY 299 Ca 0.17 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1kkr n GLY 299 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1kkr s SER 300 N -2.44 6.89 0.00 1.61 0.15 1.00 -4.93 113.70 115.98 1kkr s SER 300 Ca 0.10 2.10 0.26 0.00 0.70 0.00 0.00 55.95 59.11 1kkr s SER 300 Cb -0.04 -2.60 0.70 0.00 -1.71 0.00 0.00 66.02 62.37 1kkr s SER 300 CO 0.13 -0.40 1.53 0.61 1.20 0.00 0.00 173.24 176.31 1kkr n GLY 301 N 0.59 -0.36 3.75 9.45 0.00 -1.26 -4.69 105.19 112.66 1kkr n GLY 301 Ca 0.03 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 1kkr n GLY 301 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kkr s VAL 302 N -2.39 4.09 0.25 1.61 1.01 -1.26 -4.68 120.40 119.03 1kkr s VAL 302 Ca 0.26 1.99 0.09 0.00 0.00 0.00 0.00 61.98 64.32 1kkr s VAL 302 Cb 0.19 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1kkr s VAL 302 CO 0.48 0.43 0.02 -0.54 0.00 0.00 0.00 175.10 175.49 1kkr s LYS 303 N -0.88 2.39 0.13 2.72 1.02 -0.52 -5.01 119.74 119.59 1kkr s LYS 303 Ca 0.43 -1.32 0.10 0.00 0.02 0.00 0.00 55.97 55.21 1kkr s LYS 303 Cb -0.26 -2.25 -0.04 0.00 -0.52 0.00 0.00 37.83 34.76 1kkr s LYS 303 CO 0.33 0.39 -0.25 0.96 -0.92 0.00 0.00 175.35 175.86 1kkr s ILE 304 N -2.19 2.09 -0.13 2.17 -4.36 -1.26 -0.73 121.20 116.79 1kkr s ILE 304 Ca 0.31 -1.72 0.02 0.00 -0.26 0.00 0.00 60.65 59.00 1kkr s ILE 304 Cb -0.07 -1.87 0.01 0.00 1.25 0.00 0.00 42.46 41.78 1kkr s ILE 304 CO 0.20 0.01 -0.19 -0.69 0.24 0.00 0.00 174.94 174.51 1kkr s VAL 305 N -1.17 1.81 0.42 8.37 1.01 -0.33 -2.16 120.40 128.35 1kkr s VAL 305 Ca 0.12 -0.83 -0.23 0.00 0.00 0.00 0.00 61.98 61.04 1kkr s VAL 305 Cb -0.10 -1.62 -0.09 0.00 0.00 0.00 0.00 36.38 34.57 1kkr s VAL 305 CO 0.06 0.50 1.06 0.00 0.00 0.00 0.00 175.10 176.72 1kkr s ALA 306 N 0.88 3.04 0.00 5.51 0.00 -1.26 -0.87 121.76 129.05 1kkr s ALA 306 Ca -0.07 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1kkr s ALA 306 Cb -0.15 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1kkr s ALA 306 CO -0.02 -0.27 0.00 -3.47 0.00 0.00 0.00 175.76 172.00 1kkr n ASP 307 N -0.27 0.00 -4.70 0.00 2.03 -1.26 -0.89 116.55 111.45 1kkr n ASP 307 Ca 0.06 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.94 1kkr n ASP 307 Cb 0.50 0.08 -0.02 0.00 -0.72 0.00 0.00 41.12 40.96 1kkr n ASP 307 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1kkr n GLU 308 N -1.89 2.33 -0.56 -0.67 4.71 -1.26 -1.18 120.64 122.12 1kkr n GLU 308 Ca 0.00 0.83 0.00 0.00 -0.01 0.00 0.00 57.16 57.98 1kkr n GLU 308 Cb 0.00 -2.55 0.00 0.00 -1.01 0.00 0.00 31.44 27.88 1kkr n GLU 308 CO 0.00 0.00 0.00 0.91 0.09 0.00 0.00 177.13 178.13 1kkr n TRP 309 N 2.09 0.00 -3.59 -0.32 7.02 -1.26 -4.96 117.44 116.41 1kkr n TRP 309 Ca 0.11 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.25 1kkr n TRP 309 Cb 0.34 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.16 1kkr n TRP 309 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1kkr n ASN 311 N 1.91 1.50 -4.90 0.00 3.02 -1.26 -4.70 115.26 110.83 1kkr n ASN 311 Ca 0.23 0.25 -0.22 0.00 -0.03 0.00 0.00 54.58 54.81 1kkr n ASN 311 Cb 0.37 -0.59 0.06 0.00 -0.61 0.00 0.00 39.78 39.00 1kkr n ASN 311 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1kkr s THR 312 N -2.47 2.50 0.20 3.41 -4.23 -1.26 -4.07 115.64 109.71 1kkr s THR 312 Ca -0.25 -0.60 -0.11 0.00 -1.18 0.00 0.00 61.69 59.55 1kkr s THR 312 Cb 0.07 -2.89 0.12 0.00 1.34 0.00 0.00 72.50 71.14 1kkr s THR 312 CO 0.33 0.00 1.73 0.22 -0.54 0.00 0.00 174.62 176.36 1kkr h TYR 313 N -0.14 0.28 -0.39 3.99 3.20 -1.88 -0.74 116.97 121.29 1kkr h TYR 313 Ca -0.41 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.40 1kkr h TYR 313 Cb 1.29 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.50 1kkr h TYR 313 CO 0.24 0.05 -0.11 0.37 -1.64 0.00 0.00 178.16 177.07 1kkr h GLN 314 N 0.33 0.69 -0.67 1.82 5.75 -1.98 0.41 115.11 121.46 1kkr h GLN 314 Ca 0.27 -0.22 -0.05 0.00 -0.15 0.00 0.00 58.65 58.51 1kkr h GLN 314 Cb 0.34 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 1kkr h GLN 314 CO -0.31 0.78 0.22 -0.44 -2.65 0.00 0.00 178.83 176.43 1kkr h ASP 315 N 0.63 0.95 -0.49 -0.69 3.32 -1.57 -1.15 116.42 117.41 1kkr h ASP 315 Ca 0.11 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 1kkr h ASP 315 Cb 0.55 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1kkr h ASP 315 CO 0.03 0.88 0.00 0.40 -1.72 0.00 0.00 179.24 178.84 1kkr h ILE 316 N 0.99 1.26 -0.71 0.35 2.04 0.33 0.46 117.51 122.22 1kkr h ILE 316 Ca 0.22 -1.07 0.11 0.00 1.00 0.00 0.00 64.86 65.12 1kkr h ILE 316 Cb 0.26 0.98 -0.08 0.00 -0.74 0.00 0.00 36.82 37.24 1kkr h ILE 316 CO -0.01 0.37 0.32 0.58 0.00 0.00 0.00 178.15 179.41 1kkr h VAL 317 N 0.73 0.77 -0.29 1.67 2.07 -0.61 -1.41 116.25 119.17 1kkr h VAL 317 Ca 0.14 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 1kkr h VAL 317 Cb 0.51 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1kkr h VAL 317 CO 0.02 0.10 -0.15 0.44 0.02 0.00 0.00 177.57 178.00 1kkr h ASP 318 N 0.52 0.64 -0.09 0.57 3.32 0.08 0.30 116.42 121.75 1kkr h ASP 318 Ca 0.37 -0.41 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 1kkr h ASP 318 Cb 0.46 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1kkr h ASP 318 CO -0.32 0.91 -0.20 -0.26 -1.72 0.00 0.00 179.24 177.65 1kkr h PHE 319 N 0.37 0.55 0.11 4.55 -1.00 -0.78 -2.59 116.94 118.14 1kkr h PHE 319 Ca 0.06 -0.10 -0.01 0.00 2.81 0.00 0.00 57.97 60.74 1kkr h PHE 319 Cb 0.68 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 40.10 1kkr h PHE 319 CO 0.06 0.67 -0.05 1.15 -1.61 0.00 0.00 178.31 178.53 1kkr h THR 320 N 0.45 1.10 -0.66 -1.55 2.02 -0.71 -3.02 112.91 110.54 1kkr h THR 320 Ca 0.07 -0.95 0.19 0.00 0.77 0.00 0.00 66.41 66.50 1kkr h THR 320 Cb 0.60 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 1kkr h THR 320 CO 0.04 0.22 0.47 0.44 0.37 0.00 0.00 175.52 177.07 1kkr h ASP 321 N -0.60 0.00 0.71 4.18 3.32 -0.36 -1.49 116.42 122.17 1kkr h ASP 321 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1kkr h ASP 321 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1kkr h ASP 321 CO 0.02 0.00 -0.17 0.00 -1.72 0.00 0.00 179.24 177.38 1kkr n ALA 322 N -2.67 2.77 -2.80 3.45 0.00 -0.98 -4.93 120.51 115.35 1kkr n ALA 322 Ca 0.13 -0.21 -0.16 0.00 0.00 0.00 0.00 53.44 53.20 1kkr n ALA 322 Cb 0.73 -1.34 0.03 0.00 0.00 0.00 0.00 19.45 18.87 1kkr n ALA 322 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kkr n GLY 323 N 1.44 -0.19 0.24 0.00 0.00 -0.56 -4.92 105.19 101.20 1kkr n GLY 323 Ca 0.08 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1kkr n GLY 323 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kkr h SER 324 N -1.01 0.00 -5.56 1.61 4.64 -1.76 -3.45 113.55 108.02 1kkr h SER 324 Ca -0.38 0.00 0.25 0.00 -0.47 0.00 0.00 61.79 61.18 1kkr h SER 324 Cb 1.27 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.27 1kkr h SER 324 CO 0.41 0.12 0.67 0.00 -0.87 0.00 0.00 176.83 177.16 1kkr n HIS 326 N -0.56 0.03 -3.63 0.00 -0.00 -0.92 -4.91 115.22 105.23 1kkr n HIS 326 Ca -0.06 -0.02 -0.13 0.00 -0.00 0.00 0.00 57.72 57.52 1kkr n HIS 326 Cb 0.61 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.53 1kkr n HIS 326 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 1kkr s VAL 328 N -1.97 -0.00 -0.27 1.59 -7.23 -0.96 -2.12 120.40 109.45 1kkr s VAL 328 Ca 0.39 0.00 -0.27 0.00 -1.81 0.00 0.00 61.98 60.29 1kkr s VAL 328 Cb 0.19 -1.00 0.01 0.00 0.56 0.00 0.00 36.38 36.14 1kkr s VAL 328 CO 0.31 0.00 0.94 -1.58 -0.31 0.00 0.00 175.10 174.46 1kkr s GLN 329 N 0.62 4.14 -0.73 4.82 0.74 -0.07 -2.33 119.66 126.85 1kkr s GLN 329 Ca -0.02 1.02 -0.21 0.00 0.05 0.00 0.00 55.36 56.20 1kkr s GLN 329 Cb -0.05 -3.68 0.09 0.00 1.10 0.00 0.00 33.01 30.47 1kkr s GLN 329 CO -0.03 -0.67 0.97 0.42 -0.55 0.00 0.00 175.29 175.43 1kkr s ILE 330 N 3.15 4.53 -0.92 -2.34 1.01 0.34 -4.81 121.20 122.15 1kkr s ILE 330 Ca 0.39 -0.83 -0.20 0.00 0.00 0.00 0.00 60.65 60.01 1kkr s ILE 330 Cb -0.14 -4.68 0.10 0.00 0.01 0.00 0.00 42.46 37.75 1kkr s ILE 330 CO 0.10 -1.42 1.19 -0.75 0.00 0.00 0.00 174.94 174.06 1kkr s LYS 331 N 3.43 3.53 0.26 2.79 2.20 -1.26 -1.32 119.74 129.37 1kkr s LYS 331 Ca 0.23 -1.46 -0.06 0.00 -0.36 0.00 0.00 55.97 54.32 1kkr s LYS 331 Cb -0.14 -4.93 0.46 0.00 -1.51 0.00 0.00 37.83 31.70 1kkr s LYS 331 CO 0.04 -1.89 1.45 0.25 -0.36 0.00 0.00 175.35 174.83 1kkr n THR 332 N 5.91 -0.39 0.24 3.43 -2.24 -1.26 -1.07 114.28 118.90 1kkr n THR 332 Ca 0.23 2.12 0.10 0.00 -2.27 0.00 0.00 64.05 64.22 1kkr n THR 332 Cb 0.49 -2.95 0.58 0.00 -2.10 0.00 0.00 70.33 66.35 1kkr n THR 332 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1kkr h PRO 333 N 0.00 0.00 0.00 -0.78 0.11 -1.90 -2.17 132.00 127.26 1kkr h PRO 333 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1kkr h PRO 333 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1kkr h PRO 333 CO -0.95 0.20 0.00 -0.25 -0.21 0.00 0.00 178.00 176.79 1kkr n ASP 334 N -3.68 0.00 -0.01 -2.05 8.00 -0.23 -2.45 116.55 116.13 1kkr n ASP 334 Ca -0.01 0.48 0.14 0.00 0.71 0.00 0.00 54.79 56.10 1kkr n ASP 334 Cb 0.32 -0.49 0.61 0.00 -0.02 0.00 0.00 41.12 41.54 1kkr n ASP 334 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1kkr n LEU 335 N -1.49 0.11 0.00 0.64 4.32 -0.82 -4.58 117.00 115.18 1kkr n LEU 335 Ca 0.07 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.39 1kkr n LEU 335 Cb 0.32 -0.38 0.00 0.00 -1.62 0.00 0.00 43.42 41.73 1kkr n LEU 335 CO 0.25 0.02 0.00 0.61 -1.22 0.00 0.00 177.39 177.06 1kkr n GLY 336 N 1.42 0.48 3.66 -0.72 0.00 -1.03 -4.83 105.19 104.18 1kkr n GLY 336 Ca 0.09 -0.73 -0.45 0.00 0.00 0.00 0.00 46.02 44.93 1kkr n GLY 336 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kkr n GLY 337 N 0.00 0.65 0.13 -0.02 0.00 -1.25 -3.14 105.19 101.55 1kkr n GLY 337 Ca 0.00 0.47 0.12 0.00 0.00 0.00 0.00 46.02 46.61 1kkr n GLY 337 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1kkr n ILE 338 N 1.63 0.79 -0.04 -0.61 -5.35 -1.26 -1.33 119.36 113.20 1kkr n ILE 338 Ca 0.11 0.15 0.11 0.00 -0.27 0.00 0.00 62.75 62.85 1kkr n ILE 338 Cb 0.31 -1.07 0.52 0.00 -1.74 0.00 0.00 39.64 37.66 1kkr n ILE 338 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 1kkr h HIS 339 N 0.00 0.38 -0.55 4.28 2.07 -1.94 0.05 115.15 119.44 1kkr h HIS 339 Ca 0.00 0.01 0.04 0.00 -2.85 0.00 0.00 60.37 57.57 1kkr h HIS 339 Cb 0.42 -0.12 -0.03 0.00 2.57 0.00 0.00 27.41 30.25 1kkr h HIS 339 CO 0.00 0.19 0.36 -0.91 -3.07 0.00 0.00 177.93 174.51 1kkr h ASN 340 N 0.37 0.52 0.00 3.10 2.35 -1.53 -0.78 115.58 119.60 1kkr h ASN 340 Ca 0.24 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1kkr h ASN 340 Cb 0.45 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1kkr h ASN 340 CO -0.06 0.36 -0.00 0.40 -1.65 0.00 0.00 177.43 176.48 1kkr h ILE 341 N 0.60 1.16 0.17 2.81 2.04 -1.12 -1.29 117.51 121.88 1kkr h ILE 341 Ca 0.22 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1kkr h ILE 341 Cb 0.14 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1kkr h ILE 341 CO -0.06 0.12 -0.17 0.58 0.00 0.00 0.00 178.15 178.62 1kkr h VAL 342 N -0.19 0.63 -0.85 1.67 2.07 -1.22 -0.28 116.25 118.08 1kkr h VAL 342 Ca -0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1kkr h VAL 342 Cb 0.19 0.63 -0.10 0.00 -1.52 0.00 0.00 31.29 30.50 1kkr h VAL 342 CO 0.00 0.00 0.42 0.44 0.02 0.00 0.00 177.57 178.45 1kkr h ASP 343 N -0.37 0.49 -0.27 0.57 3.32 -1.10 -2.06 116.42 116.99 1kkr h ASP 343 Ca 0.00 0.10 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 1kkr h ASP 343 Cb 0.35 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1kkr h ASP 343 CO -0.04 0.18 -0.31 0.00 -1.72 0.00 0.00 179.24 177.36 1kkr h ALA 344 N 1.58 0.40 -0.74 3.45 0.00 -0.60 -2.08 119.26 121.26 1kkr h ALA 344 Ca 0.47 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1kkr h ALA 344 Cb 0.71 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1kkr h ALA 344 CO -0.39 0.43 0.28 0.28 0.00 0.00 0.00 179.25 179.85 1kkr h VAL 345 N 0.41 1.25 -0.42 0.00 2.07 -0.69 -1.61 116.25 117.26 1kkr h VAL 345 Ca 0.04 -0.82 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 1kkr h VAL 345 Cb 0.88 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1kkr h VAL 345 CO 0.07 0.33 0.03 -0.07 0.02 0.00 0.00 177.57 177.95 1kkr h LEU 346 N 1.07 0.71 -0.28 2.57 3.38 -1.33 -0.33 115.31 121.11 1kkr h LEU 346 Ca 0.25 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1kkr h LEU 346 Cb 0.23 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1kkr h LEU 346 CO -0.02 0.82 0.18 0.22 0.09 0.00 0.00 178.44 179.73 1kkr h TYR 347 N 0.57 0.34 -0.25 1.13 3.20 -1.30 0.83 116.97 121.49 1kkr h TYR 347 Ca 0.12 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.01 1kkr h TYR 347 Cb 0.44 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 1kkr h TYR 347 CO 0.03 0.22 0.16 0.00 -1.64 0.00 0.00 178.16 176.92 1kkr h ASN 349 N 0.32 0.77 -0.09 0.00 2.35 -0.22 -2.24 115.58 116.47 1kkr h ASN 349 Ca 0.10 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 1kkr h ASN 349 Cb -0.02 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 1kkr h ASN 349 CO -0.04 0.69 -0.27 0.50 -1.65 0.00 0.00 177.43 176.67 1kkr h LYS 350 N 0.83 0.54 -0.51 0.81 3.64 -0.72 -3.27 116.57 117.90 1kkr h LYS 350 Ca 0.20 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1kkr h LYS 350 Cb 0.16 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1kkr h LYS 350 CO -0.02 0.76 0.00 0.72 -2.27 0.00 0.00 179.45 178.64 1kkr n HIS 351 N -4.11 1.29 -1.09 1.91 8.25 -0.92 -5.10 115.22 115.46 1kkr n HIS 351 Ca -0.00 -0.67 0.00 0.00 -0.26 0.00 0.00 57.72 56.79 1kkr n HIS 351 Cb 0.42 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.27 1kkr n HIS 351 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kkr n GLY 352 N 0.60 -0.11 3.03 -1.41 0.00 -0.87 -5.02 105.19 101.41 1kkr n GLY 352 Ca 0.23 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 1kkr n GLY 352 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kkr s GLU 354 N -2.11 1.86 -0.24 1.61 2.02 -0.90 -5.01 118.70 115.92 1kkr s GLU 354 Ca 0.00 -0.45 -0.12 0.00 0.02 0.00 0.00 54.97 54.42 1kkr s GLU 354 Cb 0.00 -1.57 -0.05 0.00 0.10 0.00 0.00 34.13 32.61 1kkr s GLU 354 CO 0.00 -0.02 0.22 0.00 0.02 0.00 0.00 175.26 175.48 1kkr s ALA 355 N 0.84 3.58 -0.34 5.21 0.00 -1.26 -2.27 121.76 127.51 1kkr s ALA 355 Ca -0.11 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 1kkr s ALA 355 Cb -0.15 -2.43 0.05 0.00 0.00 0.00 0.00 23.12 20.58 1kkr s ALA 355 CO 0.02 -0.32 0.10 -0.47 0.00 0.00 0.00 175.76 175.09 1kkr s TYR 356 N 1.32 3.28 -0.76 0.00 5.04 -0.98 -3.00 117.35 122.24 1kkr s TYR 356 Ca 0.10 -1.56 -0.23 0.00 -2.44 0.00 0.00 57.07 52.94 1kkr s TYR 356 Cb -0.14 -2.35 0.07 0.00 0.35 0.00 0.00 41.96 39.89 1kkr s TYR 356 CO 0.07 -0.76 1.11 -1.14 -1.34 0.00 0.00 175.55 173.48 1kkr s GLN 357 N 1.37 3.27 0.00 4.97 0.74 0.75 -0.51 119.66 130.25 1kkr s GLN 357 Ca -0.01 -0.93 0.00 0.00 0.05 0.00 0.00 55.36 54.47 1kkr s GLN 357 Cb -0.20 -4.47 0.00 0.00 1.10 0.00 0.00 33.01 29.44 1kkr s GLN 357 CO 0.02 -1.91 0.00 0.41 -0.55 0.00 0.00 175.29 173.25 1kkr n GLY 358 N 5.54 0.46 0.00 2.59 0.00 -0.43 -1.48 105.19 111.87 1kkr n GLY 358 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1kkr n GLY 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kkr n GLY 359 N 5.00 0.65 3.08 -0.02 0.00 -1.26 -4.18 105.19 108.46 1kkr n GLY 359 Ca 0.00 -1.60 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 1kkr n GLY 359 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1kkr s THR 360 N -3.61 0.09 0.28 2.61 -1.32 -1.26 -4.82 115.64 107.61 1kkr s THR 360 Ca 0.00 -0.73 0.36 0.00 -1.21 0.00 0.00 61.69 60.11 1kkr s THR 360 Cb 0.00 -0.39 0.37 0.00 -1.51 0.00 0.00 72.50 70.97 1kkr s THR 360 CO 0.00 -0.40 2.10 0.00 -2.21 0.00 0.00 174.62 174.11 1kkr n ASN 362 N -2.83 4.43 0.00 0.00 5.15 -1.26 -0.68 115.26 120.06 1kkr n ASN 362 Ca -0.02 -2.66 0.00 0.00 -0.60 0.00 0.00 54.58 51.31 1kkr n ASN 362 Cb 0.12 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 38.74 1kkr n ASN 362 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1kkr n GLU 363 N 0.49 3.64 -4.52 1.20 0.28 -1.16 -4.36 120.64 116.21 1kkr n GLU 363 Ca 0.20 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.95 1kkr n GLU 363 Cb 0.93 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.71 1kkr n GLU 363 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1kkr s THR 364 N 2.41 0.75 0.16 3.84 -4.23 -1.26 -1.52 115.64 115.80 1kkr s THR 364 Ca 0.00 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.35 1kkr s THR 364 Cb 0.00 -2.41 0.03 0.00 1.34 0.00 0.00 72.50 71.45 1kkr s THR 364 CO 0.00 0.00 1.81 1.05 -0.54 0.00 0.00 174.62 176.94 1kkr h GLU 365 N 1.81 0.51 -0.14 3.99 9.09 -1.97 -1.96 114.58 125.91 1kkr h GLU 365 Ca -0.37 -0.03 -0.00 0.00 0.05 0.00 0.00 59.36 59.01 1kkr h GLU 365 Cb 1.27 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 28.25 1kkr h GLU 365 CO 0.61 0.34 0.08 0.82 0.05 0.00 0.00 179.01 180.90 1kkr h ILE 366 N 0.53 1.08 -0.70 -1.06 2.04 -1.98 -0.99 117.51 116.43 1kkr h ILE 366 Ca 0.16 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 1kkr h ILE 366 Cb -0.02 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1kkr h ILE 366 CO -0.06 0.08 0.23 0.77 0.00 0.00 0.00 178.15 179.17 1kkr h SER 367 N 0.14 1.01 -0.28 1.72 4.64 -1.86 -0.61 113.55 118.30 1kkr h SER 367 Ca 0.05 -0.20 -0.03 0.00 -0.47 0.00 0.00 61.79 61.14 1kkr h SER 367 Cb 0.06 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 1kkr h SER 367 CO -0.01 0.94 0.05 0.00 -0.87 0.00 0.00 176.83 176.94 1kkr h ALA 368 N 1.11 0.37 -0.81 5.18 0.00 -1.36 0.17 119.26 123.92 1kkr h ALA 368 Ca 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1kkr h ALA 368 Cb 0.28 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1kkr h ALA 368 CO -0.01 0.05 0.46 -0.09 0.00 0.00 0.00 179.25 179.66 1kkr h ARG 369 N 0.28 1.12 -0.32 0.00 2.43 -0.95 -1.83 114.38 115.11 1kkr h ARG 369 Ca 0.09 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1kkr h ARG 369 Cb 0.32 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1kkr h ARG 369 CO 0.00 0.81 0.06 1.15 -1.51 0.00 0.00 179.97 180.48 1kkr h THR 370 N 1.13 1.23 -0.59 0.20 2.02 -0.80 -2.19 112.91 113.91 1kkr h THR 370 Ca 0.29 -0.80 0.16 0.00 0.77 0.00 0.00 66.41 66.83 1kkr h THR 370 Cb 0.01 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1kkr h THR 370 CO -0.05 0.27 0.42 0.00 0.37 0.00 0.00 175.52 176.52 1kkr h VAL 372 N 0.09 1.23 -0.27 0.00 2.07 -0.68 -0.45 116.25 118.25 1kkr h VAL 372 Ca 0.28 -0.47 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 1kkr h VAL 372 Cb 1.00 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1kkr h VAL 372 CO -0.03 0.24 -0.30 0.45 0.02 0.00 0.00 177.57 177.95 1kkr h HIS 373 N 1.20 0.82 -0.92 1.57 3.86 -1.35 0.54 115.15 120.87 1kkr h HIS 373 Ca 0.32 -0.25 0.07 0.00 -1.16 0.00 0.00 60.37 59.34 1kkr h HIS 373 Cb -0.09 -0.17 -0.07 0.00 1.06 0.00 0.00 27.41 28.14 1kkr h HIS 373 CO 0.00 1.00 0.58 0.28 0.86 0.00 0.00 177.93 180.64 1kkr h VAL 374 N 0.41 1.04 -0.00 2.45 2.07 -1.26 -1.69 116.25 119.27 1kkr h VAL 374 Ca 0.04 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 1kkr h VAL 374 Cb 0.87 -0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1kkr h VAL 374 CO 0.07 0.19 -0.35 0.00 0.02 0.00 0.00 177.57 177.50 1kkr h ALA 375 N 1.43 0.04 -0.69 1.67 0.00 -0.64 -1.59 119.26 119.48 1kkr h ALA 375 Ca 0.40 -0.50 0.12 0.00 0.00 0.00 0.00 54.91 54.94 1kkr h ALA 375 Cb 0.21 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1kkr h ALA 375 CO -0.18 0.16 0.46 -0.07 0.00 0.00 0.00 179.25 179.62 1kkr h LEU 376 N -0.39 0.41 0.11 0.00 3.38 -0.75 -1.04 115.31 117.04 1kkr h LEU 376 Ca -0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1kkr h LEU 376 Cb 1.10 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1kkr h LEU 376 CO 0.07 0.23 -0.05 0.00 0.09 0.00 0.00 178.44 178.77 1kkr h ALA 377 N 1.66 -0.15 0.00 1.53 0.00 -1.15 -3.40 119.26 117.76 1kkr h ALA 377 Ca 0.33 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1kkr h ALA 377 Cb 0.68 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1kkr h ALA 377 CO -0.10 -0.28 -0.94 0.00 0.00 0.00 0.00 179.25 177.92 1kkr h ALA 378 N -0.05 0.63 -4.12 0.00 0.00 -1.10 -3.44 119.26 111.18 1kkr h ALA 378 Ca -0.02 -0.70 -0.11 0.00 0.00 0.00 0.00 54.91 54.09 1kkr h ALA 378 Cb 0.55 0.06 0.09 0.00 0.00 0.00 0.00 17.79 18.49 1kkr h ALA 378 CO 0.03 0.85 -0.38 0.54 0.00 0.00 0.00 179.25 180.29 1kkr n ARG 379 N -3.11 -1.02 0.00 0.00 5.12 -0.41 -4.66 116.66 112.58 1kkr n ARG 379 Ca -0.03 0.42 0.00 0.00 -1.93 0.00 0.00 57.85 56.30 1kkr n ARG 379 Cb 0.81 -3.49 0.00 0.00 -1.16 0.00 0.00 32.46 28.63 1kkr n ARG 379 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1kkr n PRO 380 N -2.27 0.72 -0.24 5.56 -0.04 -1.26 -4.97 135.00 132.51 1kkr n PRO 380 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1kkr n PRO 380 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 1kkr n PRO 380 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1kkr n ARG 382 N 0.00 1.36 -5.13 0.54 0.63 -1.16 -4.81 116.66 108.09 1kkr n ARG 382 Ca 0.00 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.61 1kkr n ARG 382 Cb 0.00 -0.32 -0.16 0.00 0.45 0.00 0.00 32.46 32.43 1kkr n ARG 382 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1kkr s LEU 384 N 0.00 2.22 -0.01 6.15 2.96 -0.55 -0.17 118.68 129.28 1kkr s LEU 384 Ca 0.00 -0.50 -0.30 0.00 -0.22 0.00 0.00 54.13 53.11 1kkr s LEU 384 Cb 0.00 -1.45 -0.05 0.00 0.50 0.00 0.00 46.19 45.20 1kkr s LEU 384 CO 0.00 0.18 1.28 -0.63 -1.32 0.00 0.00 176.35 175.86 1kkr s ILE 385 N 0.24 3.98 0.19 6.68 1.01 0.41 -4.83 121.20 128.88 1kkr s ILE 385 Ca -0.15 1.35 -0.24 0.00 0.00 0.00 0.00 60.65 61.62 1kkr s ILE 385 Cb -0.17 -3.87 0.05 0.00 0.01 0.00 0.00 42.46 38.48 1kkr s ILE 385 CO 0.07 0.02 0.88 -1.59 0.00 0.00 0.00 174.94 174.32 1kkr s LYS 386 N 2.09 1.39 0.00 2.79 -2.85 -1.26 -4.69 119.74 117.20 1kkr s LYS 386 Ca 0.60 -0.76 0.00 0.00 -1.00 0.00 0.00 55.97 54.80 1kkr s LYS 386 Cb -0.28 0.47 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 1kkr s LYS 386 CO 0.25 -0.63 0.00 -0.35 0.10 0.00 0.00 175.35 174.71 1kkr n PRO 387 N -0.47 0.80 0.00 1.78 -0.04 -1.26 -4.56 135.00 131.25 1kkr n PRO 387 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1kkr n PRO 387 Cb 0.60 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.06 1kkr n PRO 387 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kkr n GLY 388 N 5.00 0.02 4.63 0.55 0.00 0.14 -3.76 105.19 111.77 1kkr n GLY 388 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1kkr n GLY 388 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kkr n GLY 390 N 0.00 0.00 5.00 -0.02 0.00 -1.26 -4.69 105.19 104.22 1kkr n GLY 390 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1kkr n GLY 390 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1kkr n PHE 391 N -0.89 0.00 -0.07 1.61 -0.00 -1.26 -4.62 117.46 112.23 1kkr n PHE 391 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.38 1kkr n PHE 391 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 39.48 39.47 1kkr n PHE 391 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1kkr h ASP 392 N 0.00 -0.12 -0.18 -2.13 3.32 -1.97 -0.31 116.42 115.03 1kkr h ASP 392 Ca 0.00 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.14 1kkr h ASP 392 Cb 0.00 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1kkr h ASP 392 CO 0.00 -0.03 0.03 -0.33 -1.72 0.00 0.00 179.24 177.19 1kkr h GLU 393 N 0.07 0.09 -0.96 3.56 3.07 -1.91 -0.70 114.58 117.80 1kkr h GLU 393 Ca 0.13 -0.01 0.13 0.00 -0.50 0.00 0.00 59.36 59.11 1kkr h GLU 393 Cb 0.17 -0.02 -0.09 0.00 -0.84 0.00 0.00 28.75 27.97 1kkr h GLU 393 CO -0.22 0.06 0.58 0.78 -1.40 0.00 0.00 179.01 178.81 1kkr h GLY 394 N 0.09 1.59 0.78 -3.84 0.00 -1.55 -0.90 103.07 99.24 1kkr h GLY 394 Ca 0.08 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 46.94 1kkr h GLY 394 CO -0.12 0.10 -0.25 -2.00 0.00 0.00 0.00 176.54 174.27 1kkr h LEU 395 N 0.89 0.47 -0.46 3.11 5.85 -0.57 -0.18 115.31 124.41 1kkr h LEU 395 Ca 0.49 -0.54 0.09 0.00 0.84 0.00 0.00 57.88 58.77 1kkr h LEU 395 Cb 0.56 -0.14 -0.10 0.00 0.37 0.00 0.00 40.66 41.36 1kkr h LEU 395 CO -0.29 0.92 -0.20 -1.13 -0.34 0.00 0.00 178.44 177.40 1kkr h ASN 396 N 0.04 -0.68 0.23 1.25 -0.73 -0.84 0.33 115.58 115.18 1kkr h ASN 396 Ca 0.01 0.17 -0.01 0.00 1.87 0.00 0.00 56.30 58.33 1kkr h ASN 396 Cb 0.83 0.38 0.00 0.00 0.27 0.00 0.00 38.32 39.80 1kkr h ASN 396 CO 0.06 -0.23 -0.11 0.40 -0.37 0.00 0.00 177.43 177.18 1kkr h ILE 397 N -0.10 0.79 0.02 2.57 2.04 -0.94 -2.79 117.51 119.10 1kkr h ILE 397 Ca 0.22 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.97 1kkr h ILE 397 Cb 0.44 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1kkr h ILE 397 CO -0.53 0.02 -0.01 0.58 0.00 0.00 0.00 178.15 178.22 1kkr h VAL 398 N -0.37 1.36 0.21 1.67 2.07 -0.82 -2.87 116.25 117.50 1kkr h VAL 398 Ca -0.03 -1.87 -0.01 0.00 0.82 0.00 0.00 66.70 65.61 1kkr h VAL 398 Cb 0.28 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1kkr h VAL 398 CO 0.05 0.44 -0.10 0.15 0.02 0.00 0.00 177.57 178.13 1kkr h PHE 399 N -0.93 -0.26 -0.29 1.57 3.57 -0.51 -3.05 116.94 117.05 1kkr h PHE 399 Ca -0.00 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 1kkr h PHE 399 Cb 0.74 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 1kkr h PHE 399 CO 0.19 -0.15 -0.31 -0.91 -2.23 0.00 0.00 178.31 174.90 1kkr h ASN 400 N -0.29 0.62 0.00 0.41 2.35 -1.57 -0.66 115.58 116.44 1kkr h ASN 400 Ca -0.03 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1kkr h ASN 400 Cb 0.22 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1kkr h ASN 400 CO 0.05 0.89 0.00 1.21 -1.65 0.00 0.00 177.43 177.93 1kkr n GLU 401 N -4.08 0.25 0.00 0.81 4.07 -1.08 -0.84 120.64 119.77 1kkr n GLU 401 Ca -0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 1kkr n GLU 401 Cb 0.46 -1.24 0.00 0.00 -0.06 0.00 0.00 31.44 30.60 1kkr n GLU 401 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1kkr n ASN 403 N 0.61 0.00 -0.04 4.31 3.02 -0.26 -1.01 115.26 121.89 1kkr n ASN 403 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.56 1kkr n ASN 403 Cb 0.09 0.00 0.31 0.00 -0.61 0.00 0.00 39.78 39.58 1kkr n ASN 403 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1kkr h ARG 404 N 0.00 0.62 0.16 3.52 3.08 -1.24 -2.02 114.38 118.50 1kkr h ARG 404 Ca 0.00 -0.09 -0.29 0.00 0.07 0.00 0.00 59.98 59.66 1kkr h ARG 404 Cb 0.00 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 29.95 1kkr h ARG 404 CO 0.00 0.53 -1.34 1.15 -1.07 0.00 0.00 179.97 179.25 1kkr h THR 405 N 0.61 1.41 -0.31 2.04 2.02 -1.30 -1.36 112.91 116.01 1kkr h THR 405 Ca 0.15 -2.94 -0.03 0.00 0.77 0.00 0.00 66.41 64.35 1kkr h THR 405 Cb 0.16 2.96 -0.01 0.00 -1.74 0.00 0.00 68.15 69.52 1kkr h THR 405 CO -0.01 0.87 0.09 0.40 0.37 0.00 0.00 175.52 177.24 1kkr h ILE 406 N 0.09 1.21 -0.56 3.11 2.04 -1.77 -0.11 117.51 121.52 1kkr h ILE 406 Ca -0.18 -0.69 0.03 0.00 1.00 0.00 0.00 64.86 65.02 1kkr h ILE 406 Cb 2.03 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 39.14 1kkr h ILE 406 CO 0.22 0.23 0.34 0.00 0.00 0.00 0.00 178.15 178.94 1kkr h ALA 407 N 0.92 0.72 -0.26 1.87 0.00 -1.22 -1.15 119.26 120.15 1kkr h ALA 407 Ca 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1kkr h ALA 407 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1kkr h ALA 407 CO -0.00 0.06 0.14 -0.07 0.00 0.00 0.00 179.25 179.38 1kkr h LEU 408 N 0.67 0.32 -1.78 0.00 3.38 -0.85 -2.61 115.31 114.45 1kkr h LEU 408 Ca 0.23 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1kkr h LEU 408 Cb 0.02 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1kkr h LEU 408 CO -0.10 0.31 0.22 -0.07 0.09 0.00 0.00 178.44 178.89 1kkr h LEU 409 N 0.31 0.25 -0.04 1.67 3.38 -0.48 -2.33 115.31 118.07 1kkr h LEU 409 Ca 0.09 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1kkr h LEU 409 Cb 0.06 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1kkr h LEU 409 CO -0.01 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.68 1kkr n GLN 410 N -4.49 0.04 0.00 1.13 6.02 -0.49 -5.04 117.38 114.56 1kkr n GLN 410 Ca 0.03 0.12 0.07 0.00 -0.01 0.00 0.00 57.00 57.21 1kkr n GLN 410 Cb 0.19 -1.55 0.43 0.00 1.02 0.00 0.00 30.24 30.33 1kkr n GLN 410 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46