#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxl s LYS 2 N 0.00 4.49 0.45 3.17 -2.85 -1.26 -4.88 119.74 118.86 3kxl s LYS 2 Ca 0.00 1.80 0.03 0.00 -1.00 0.00 0.00 55.97 56.80 3kxl s LYS 2 Cb 0.00 -3.29 0.01 0.00 -2.06 0.00 0.00 37.83 32.49 3kxl s LYS 2 CO 0.00 -0.11 0.64 0.95 0.10 0.00 0.00 175.35 176.93 3kxl s THR 3 N 0.31 3.52 -0.13 3.79 -4.23 -1.26 -1.30 115.64 116.33 3kxl s THR 3 Ca 0.54 -0.72 -0.22 0.00 -1.18 0.00 0.00 61.69 60.11 3kxl s THR 3 Cb -0.31 -3.27 0.05 0.00 1.34 0.00 0.00 72.50 70.32 3kxl s THR 3 CO 0.34 -0.16 0.55 0.00 -0.54 0.00 0.00 174.62 174.81 3kxl s ALA 4 N -2.50 -1.40 -0.21 3.99 0.00 -0.76 -2.60 121.76 118.28 3kxl s ALA 4 Ca 0.51 1.29 -0.11 0.00 0.00 0.00 0.00 51.96 53.65 3kxl s ALA 4 Cb -0.10 -0.48 -0.05 0.00 0.00 0.00 0.00 23.12 22.49 3kxl s ALA 4 CO 0.36 -0.30 0.17 0.00 0.00 0.00 0.00 175.76 176.00 3kxl s ALA 5 N -0.42 3.64 -0.17 0.00 0.00 -0.66 -2.27 121.76 121.88 3kxl s ALA 5 Ca -0.06 -0.73 -0.04 0.00 0.00 0.00 0.00 51.96 51.14 3kxl s ALA 5 Cb -0.03 -2.28 -0.02 0.00 0.00 0.00 0.00 23.12 20.79 3kxl s ALA 5 CO 0.04 -0.00 -0.04 -1.17 0.00 0.00 0.00 175.76 174.59 3kxl s LEU 6 N 0.68 3.13 -0.25 0.00 2.96 -0.18 -0.94 118.68 124.08 3kxl s LEU 6 Ca 0.09 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 53.74 3kxl s LEU 6 Cb -0.12 -1.77 -0.00 0.00 0.50 0.00 0.00 46.19 44.80 3kxl s LEU 6 CO 0.02 0.11 0.00 -0.36 -1.32 0.00 0.00 176.35 174.80 3kxl s PHE 7 N 0.71 3.05 -0.09 5.38 0.08 -0.32 -0.11 117.98 126.68 3kxl s PHE 7 Ca -0.02 -0.97 -0.30 0.00 0.12 0.00 0.00 56.93 55.75 3kxl s PHE 7 Cb -0.14 -2.16 0.08 0.00 -0.57 0.00 0.00 43.02 40.23 3kxl s PHE 7 CO 0.02 -0.56 0.73 0.54 -0.10 0.00 0.00 175.22 175.86 3kxl s VAL 8 N 1.48 0.00 0.91 -0.44 0.11 0.30 -0.67 120.40 122.09 3kxl s VAL 8 Ca 0.04 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.98 3kxl s VAL 8 Cb -0.16 -1.00 0.14 0.00 -1.53 0.00 0.00 36.38 33.83 3kxl s VAL 8 CO -0.01 0.00 1.10 -0.94 -3.33 0.00 0.00 175.10 171.92 3kxl s SER 9 N -1.01 3.20 0.50 3.54 1.04 -1.26 -3.59 113.70 116.11 3kxl s SER 9 Ca -0.08 1.84 0.25 0.00 0.48 0.00 0.00 55.95 58.43 3kxl s SER 9 Cb -0.01 -2.43 1.31 0.00 0.10 0.00 0.00 66.02 65.00 3kxl s SER 9 CO 0.08 -2.87 2.02 0.11 0.98 0.00 0.00 173.24 173.56 3kxl h LYS 10 N -1.71 0.00 0.12 4.02 1.79 -1.99 -1.35 116.57 117.45 3kxl h LYS 10 Ca -0.47 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 57.72 3kxl h LYS 10 Cb 1.27 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.95 3kxl h LYS 10 CO 0.48 0.15 -1.17 1.05 -1.08 0.00 0.00 179.45 178.89 3kxl h GLU 11 N 0.00 0.58 -0.03 3.15 4.11 -2.05 -3.28 114.58 117.05 3kxl h GLU 11 Ca -0.00 -0.78 0.00 0.00 0.07 0.00 0.00 59.36 58.64 3kxl h GLU 11 Cb 0.40 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3kxl h GLU 11 CO 0.02 1.35 0.00 1.19 0.07 0.00 0.00 179.01 181.64 3kxl n PHE 12 N -3.86 0.02 0.07 2.06 3.72 -1.15 -4.41 117.46 113.91 3kxl n PHE 12 Ca -0.14 -0.01 -0.12 0.00 -0.05 0.00 0.00 57.45 57.13 3kxl n PHE 12 Cb 0.95 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.44 3kxl n PHE 12 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3kxl h GLU 13 N 2.71 -0.19 -0.26 -1.08 4.81 -1.30 0.33 114.58 119.60 3kxl h GLU 13 Ca 0.00 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3kxl h GLU 13 Cb 0.58 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 3kxl h GLU 13 CO 0.00 -0.13 0.09 1.49 -0.73 0.00 0.00 179.01 179.73 3kxl h GLU 14 N -0.20 0.20 -0.49 1.92 4.81 -1.80 -0.06 114.58 118.95 3kxl h GLU 14 Ca 0.02 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3kxl h GLU 14 Cb 0.21 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3kxl h GLU 14 CO -0.06 0.13 0.16 1.49 -0.73 0.00 0.00 179.01 180.00 3kxl h GLU 15 N 0.20 0.76 -0.31 1.92 4.81 -1.79 -2.42 114.58 117.75 3kxl h GLU 15 Ca 0.11 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3kxl h GLU 15 Cb 0.08 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3kxl h GLU 15 CO -0.12 0.71 0.17 0.00 -0.73 0.00 0.00 179.01 179.04 3kxl h ALA 16 N 1.02 0.39 -0.87 2.92 0.00 0.10 0.08 119.26 122.90 3kxl h ALA 16 Ca 0.16 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3kxl h ALA 16 Cb 0.26 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3kxl h ALA 16 CO -0.01 -0.19 0.57 0.82 0.00 0.00 0.00 179.25 180.44 3kxl h ILE 17 N 0.36 1.22 -0.41 0.00 2.04 -0.94 0.17 117.51 119.94 3kxl h ILE 17 Ca 0.12 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 3kxl h ILE 17 Cb 0.01 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.02 3kxl h ILE 17 CO -0.07 0.21 0.13 0.00 0.00 0.00 0.00 178.15 178.42 3kxl h ALA 18 N 1.32 0.54 -0.14 1.87 0.00 -0.93 -0.98 119.26 120.94 3kxl h ALA 18 Ca 0.32 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3kxl h ALA 18 Cb -0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3kxl h ALA 18 CO -0.07 0.19 0.00 -0.07 0.00 0.00 0.00 179.25 179.30 3kxl h LEU 19 N 0.52 0.24 -0.09 0.00 3.38 -0.61 -0.93 115.31 117.82 3kxl h LEU 19 Ca 0.13 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.82 3kxl h LEU 19 Cb 0.26 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3kxl h LEU 19 CO -0.00 0.48 -0.02 0.58 0.09 0.00 0.00 178.44 179.57 3kxl h VAL 20 N -0.01 0.91 0.00 1.22 2.07 -0.64 -1.34 116.25 118.46 3kxl h VAL 20 Ca 0.04 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 3kxl h VAL 20 Cb 0.36 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3kxl h VAL 20 CO 0.01 0.00 -0.15 -0.33 0.02 0.00 0.00 177.57 177.12 3kxl h GLU 21 N 0.00 0.00 0.00 1.57 5.08 -1.18 -0.04 114.58 120.01 3kxl h GLU 21 Ca 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3kxl h GLU 21 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3kxl h GLU 21 CO -0.09 0.15 -0.05 0.78 -1.00 0.00 0.00 179.01 178.79 3kxl h GLY 22 N 0.54 0.00 -2.47 -3.84 0.00 -0.15 -2.23 103.07 94.92 3kxl h GLY 22 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kxl h GLY 22 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.56 3kxl n ALA 23 N -2.12 3.23 -3.16 3.60 0.00 -0.05 -4.90 120.51 117.10 3kxl n ALA 23 Ca 0.01 -1.14 -0.16 0.00 0.00 0.00 0.00 53.44 52.14 3kxl n ALA 23 Cb 0.34 -1.06 0.05 0.00 0.00 0.00 0.00 19.45 18.78 3kxl n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kxl n ASN 24 N 0.47 -4.92 -4.42 0.00 3.02 -0.84 -5.03 115.26 103.53 3kxl n ASN 24 Ca 0.17 -0.34 -0.32 0.00 -0.03 0.00 0.00 54.58 54.07 3kxl n ASN 24 Cb 0.78 -3.56 -0.14 0.00 -0.61 0.00 0.00 39.78 36.25 3kxl n ASN 24 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3kxl s TYR 25 N -3.17 2.56 -0.41 3.10 2.02 -1.08 -4.45 117.35 115.91 3kxl s TYR 25 Ca 0.37 -0.26 -0.15 0.00 -0.37 0.00 0.00 57.07 56.65 3kxl s TYR 25 Cb -0.16 -1.54 0.02 0.00 -0.40 0.00 0.00 41.96 39.87 3kxl s TYR 25 CO 0.45 0.14 0.31 0.15 -1.57 0.00 0.00 175.55 175.04 3kxl s LYS 26 N -0.90 2.99 -0.41 -0.62 1.02 -0.42 -3.89 119.74 117.52 3kxl s LYS 26 Ca 0.12 -0.99 -0.28 0.00 0.02 0.00 0.00 55.97 54.84 3kxl s LYS 26 Cb -0.10 -3.97 -0.00 0.00 -0.52 0.00 0.00 37.83 33.23 3kxl s LYS 26 CO 0.01 -0.75 1.62 0.08 -0.92 0.00 0.00 175.35 175.39 3kxl s VAL 27 N 1.72 3.66 -0.19 3.17 1.01 -1.26 -1.83 120.40 126.68 3kxl s VAL 27 Ca 0.06 0.65 -0.15 0.00 0.00 0.00 0.00 61.98 62.53 3kxl s VAL 27 Cb -0.19 -3.96 -0.21 0.00 0.00 0.00 0.00 36.38 32.03 3kxl s VAL 27 CO 0.10 -0.66 0.18 0.35 0.00 0.00 0.00 175.10 175.07 3kxl n THR 28 N 7.22 1.61 -4.75 3.92 -2.24 -0.96 -4.96 114.28 114.12 3kxl n THR 28 Ca 0.19 -0.29 -0.25 0.00 -2.27 0.00 0.00 64.05 61.43 3kxl n THR 28 Cb 0.48 -1.90 -0.15 0.00 -2.10 0.00 0.00 70.33 66.67 3kxl n THR 28 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kxl s SER 29 N -6.97 2.24 -0.03 3.42 1.04 -1.25 -5.08 113.70 107.07 3kxl s SER 29 Ca -0.28 -0.42 0.05 0.00 0.48 0.00 0.00 55.95 55.78 3kxl s SER 29 Cb 0.07 -0.22 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 3kxl s SER 29 CO 0.64 0.18 -0.17 -0.63 0.98 0.00 0.00 173.24 174.25 3kxl s ILE 30 N -0.61 1.37 0.06 -1.02 1.01 -1.26 -1.01 121.20 119.73 3kxl s ILE 30 Ca 0.07 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.03 3kxl s ILE 30 Cb -0.08 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 3kxl s ILE 30 CO 0.00 0.39 -0.05 -0.31 0.00 0.00 0.00 174.94 174.97 3kxl s TYR 31 N -0.09 0.62 0.51 3.97 2.02 0.84 -4.97 117.35 120.25 3kxl s TYR 31 Ca -0.00 -0.78 -0.05 0.00 -0.37 0.00 0.00 57.07 55.87 3kxl s TYR 31 Cb -0.10 -0.39 -0.02 0.00 -0.40 0.00 0.00 41.96 41.05 3kxl s TYR 31 CO 0.01 -0.20 0.82 -1.59 -1.57 0.00 0.00 175.55 173.02 3kxl s LYS 32 N -2.83 3.35 0.39 -0.62 -2.85 -1.25 -0.54 119.74 115.38 3kxl s LYS 32 Ca -0.00 0.12 -0.27 0.00 -1.00 0.00 0.00 55.97 54.82 3kxl s LYS 32 Cb -0.01 -2.35 -0.09 0.00 -2.06 0.00 0.00 37.83 33.32 3kxl s LYS 32 CO -0.04 -0.35 1.30 -0.51 0.10 0.00 0.00 175.35 175.84 3kxl s LEU 33 N -4.81 4.27 0.32 2.77 1.43 -1.24 -4.58 118.68 116.84 3kxl s LEU 33 Ca 0.49 2.65 -0.29 0.00 -1.03 0.00 0.00 54.13 55.94 3kxl s LEU 33 Cb -0.10 -3.84 -0.11 0.00 0.03 0.00 0.00 46.19 42.16 3kxl s LEU 33 CO 0.45 -0.76 1.57 -2.84 0.23 0.00 0.00 176.35 175.00 3kxl s PRO 34 N -2.13 4.11 0.09 1.29 0.02 -1.26 -4.93 135.00 132.19 3kxl s PRO 34 Ca 0.55 2.59 -0.30 0.00 0.02 0.00 0.00 61.00 63.86 3kxl s PRO 34 Cb -0.38 -3.00 -0.13 0.00 0.02 0.00 0.00 34.50 31.01 3kxl s PRO 34 CO 0.49 -0.62 1.48 -0.22 -0.33 0.00 0.00 177.00 177.81 3kxl h LYS 35 N 4.33 -0.63 -3.96 5.54 3.64 -1.98 -3.32 116.57 120.20 3kxl h LYS 35 Ca -0.48 0.04 -0.69 0.00 -1.27 0.00 0.00 60.65 58.25 3kxl h LYS 35 Cb 1.23 0.14 -0.35 0.00 -0.41 0.00 0.00 32.23 32.84 3kxl h LYS 35 CO 0.75 -0.42 -0.45 -1.54 -2.27 0.00 0.00 179.45 175.52 3kxl s SER 36 N -4.39 5.20 -0.16 4.20 1.04 -1.26 -5.07 113.70 113.26 3kxl s SER 36 Ca -0.14 -2.52 -0.41 0.00 0.48 0.00 0.00 55.95 53.36 3kxl s SER 36 Cb 0.05 -1.83 -0.18 0.00 0.10 0.00 0.00 66.02 64.16 3kxl s SER 36 CO 0.53 -0.44 1.44 -2.65 0.98 0.00 0.00 173.24 173.11 3kxl n PRO 37 N 3.93 0.61 -1.66 4.02 -0.02 -1.25 -4.82 135.00 135.81 3kxl n PRO 37 Ca 0.04 0.22 -0.47 0.00 -2.02 0.00 0.00 63.50 61.27 3kxl n PRO 37 Cb 0.39 -1.81 -0.04 0.00 -0.02 0.00 0.00 33.50 32.02 3kxl n PRO 37 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3kxl n ASN 38 N 3.37 2.77 0.13 2.55 2.85 -0.88 -4.85 115.26 121.20 3kxl n ASN 38 Ca 0.24 1.10 0.12 0.00 -0.11 0.00 0.00 54.58 55.93 3kxl n ASN 38 Cb 0.09 -1.39 0.48 0.00 1.24 0.00 0.00 39.78 40.20 3kxl n ASN 38 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 3kxl n VAL 39 N 2.96 0.77 -0.04 3.44 3.14 -1.26 -0.83 118.33 126.52 3kxl n VAL 39 Ca 0.16 0.11 -0.03 0.00 -2.96 0.00 0.00 64.34 61.62 3kxl n VAL 39 Cb 0.28 -1.04 -0.01 0.00 -1.06 0.00 0.00 33.84 32.00 3kxl n VAL 39 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 3kxl n LYS 40 N -2.29 0.26 -0.13 1.45 3.00 -1.26 -4.71 118.16 114.48 3kxl n LYS 40 Ca 0.03 0.31 0.04 0.00 -0.00 0.00 0.00 58.31 58.69 3kxl n LYS 40 Cb 0.28 -1.18 0.11 0.00 0.00 0.00 0.00 35.03 34.23 3kxl n LYS 40 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3kxl n PHE 41 N -3.56 0.28 0.00 5.64 3.72 -1.25 -4.47 117.46 117.82 3kxl n PHE 41 Ca -0.05 -0.62 0.00 0.00 -0.05 0.00 0.00 57.45 56.73 3kxl n PHE 41 Cb 0.19 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 3kxl n PHE 41 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3kxl n TYR 42 N -0.30 0.00 -4.27 1.38 9.36 -0.01 -4.86 117.16 118.46 3kxl n TYR 42 Ca 0.09 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.12 3kxl n TYR 42 Cb 0.45 -0.12 -0.11 0.00 -0.63 0.00 0.00 39.34 38.93 3kxl n TYR 42 CO 0.00 0.00 0.00 0.96 0.22 0.00 0.00 176.86 178.04 3kxl s ILE 43 N -0.21 1.48 0.19 2.97 -4.36 -1.26 -2.07 121.20 117.92 3kxl s ILE 43 Ca 0.00 -1.84 -0.31 0.00 -0.26 0.00 0.00 60.65 58.24 3kxl s ILE 43 Cb 0.00 -1.68 -0.16 0.00 1.25 0.00 0.00 42.46 41.86 3kxl s ILE 43 CO 0.00 -0.44 0.89 0.00 0.24 0.00 0.00 174.94 175.63 3kxl n GLN 44 N 0.32 0.65 0.04 0.37 6.02 -1.26 -4.78 117.38 118.73 3kxl n GLN 44 Ca -0.14 0.23 -0.00 0.00 -0.01 0.00 0.00 57.00 57.08 3kxl n GLN 44 Cb 0.58 -1.52 0.29 0.00 1.02 0.00 0.00 30.24 30.61 3kxl n GLN 44 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 3kxl h TYR 45 N 2.17 0.46 0.00 1.08 3.20 -1.99 -1.92 116.97 119.97 3kxl h TYR 45 Ca -0.38 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.36 3kxl h TYR 45 Cb 1.39 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 3kxl h TYR 45 CO 0.49 0.54 -0.35 0.38 -1.64 0.00 0.00 178.16 177.58 3kxl h ASP 46 N 0.40 0.00 0.57 -2.11 2.03 -2.00 -2.29 116.42 113.03 3kxl h ASP 46 Ca 0.08 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 56.09 3kxl h ASP 46 Cb 0.45 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.94 3kxl h ASP 46 CO 0.02 0.35 -1.38 0.50 -1.03 0.00 0.00 179.24 177.70 3kxl h LYS 47 N 0.00 0.23 -0.45 4.15 1.63 -1.79 -2.80 116.57 117.54 3kxl h LYS 47 Ca -0.00 -0.38 -0.08 0.00 -0.85 0.00 0.00 60.65 59.33 3kxl h LYS 47 Cb 0.76 0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.51 3kxl h LYS 47 CO 0.04 1.12 -0.04 1.25 -3.45 0.00 0.00 179.45 178.37 3kxl h LEU 48 N 0.06 0.74 -0.36 5.20 5.85 -1.24 -2.13 115.31 123.43 3kxl h LEU 48 Ca -0.18 -0.19 -0.12 0.00 0.84 0.00 0.00 57.88 58.22 3kxl h LEU 48 Cb 1.98 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 3kxl h LEU 48 CO 0.17 0.83 -0.26 1.56 -0.34 0.00 0.00 178.44 180.40 3kxl h GLN 49 N 0.71 0.81 -0.25 1.25 1.08 -1.47 -0.10 115.11 117.15 3kxl h GLN 49 Ca 0.13 -0.39 0.02 0.00 -1.45 0.00 0.00 58.65 56.96 3kxl h GLN 49 Cb 0.49 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 3kxl h GLN 49 CO 0.02 1.02 0.11 0.37 -0.95 0.00 0.00 178.83 179.41 3kxl h GLN 50 N 0.60 0.23 -0.27 1.46 4.15 -1.32 -0.35 115.11 119.62 3kxl h GLN 50 Ca 0.07 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.39 3kxl h GLN 50 Cb 0.83 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 3kxl h GLN 50 CO 0.07 0.15 -0.21 0.82 -1.93 0.00 0.00 178.83 177.73 3kxl h ILE 51 N 0.24 1.25 -0.69 2.39 2.04 -1.36 -2.53 117.51 118.86 3kxl h ILE 51 Ca 0.10 -1.19 -0.04 0.00 1.00 0.00 0.00 64.86 64.73 3kxl h ILE 51 Cb 0.04 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3kxl h ILE 51 CO -0.08 0.38 0.26 0.50 0.00 0.00 0.00 178.15 179.21 3kxl h LYS 52 N 0.44 1.02 -0.63 2.37 3.64 -0.34 -2.83 116.57 120.23 3kxl h LYS 52 Ca 0.07 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3kxl h LYS 52 Cb 0.61 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3kxl h LYS 52 CO 0.04 0.84 0.00 0.09 -2.27 0.00 0.00 179.45 178.15 3kxl n ASN 53 N -4.29 3.84 -4.24 4.20 3.02 -0.20 -4.78 115.26 112.82 3kxl n ASN 53 Ca 0.06 -2.24 -0.42 0.00 -0.03 0.00 0.00 54.58 51.95 3kxl n ASN 53 Cb 0.19 -0.49 -0.07 0.00 -0.61 0.00 0.00 39.78 38.79 3kxl n ASN 53 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kxl s ASP 54 N -0.89 5.87 0.53 6.41 -1.08 -0.97 -4.93 116.67 121.62 3kxl s ASP 54 Ca 0.43 -2.02 0.36 0.00 -0.52 0.00 0.00 52.55 50.80 3kxl s ASP 54 Cb 0.26 -2.06 1.90 0.00 -1.46 0.00 0.00 42.92 41.55 3kxl s ASP 54 CO 0.24 -0.70 2.10 -0.33 0.52 0.00 0.00 175.17 177.00 3kxl h GLU 55 N 8.39 0.00 -0.04 4.34 5.08 -1.86 -0.76 114.58 129.73 3kxl h GLU 55 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3kxl h GLU 55 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3kxl h GLU 55 CO 0.88 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 179.28 3kxl n GLU 56 N -2.79 1.09 -3.84 2.33 1.02 -1.26 -4.63 120.64 112.55 3kxl n GLU 56 Ca -0.02 -0.15 -0.22 0.00 -0.02 0.00 0.00 57.16 56.75 3kxl n GLU 56 Cb 0.09 -1.07 -0.17 0.00 -0.02 0.00 0.00 31.44 30.26 3kxl n GLU 56 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3kxl s ILE 57 N -1.95 0.42 -0.16 -3.67 1.01 -0.29 -4.78 121.20 111.77 3kxl s ILE 57 Ca 0.07 0.07 0.17 0.00 0.00 0.00 0.00 60.65 60.96 3kxl s ILE 57 Cb 0.03 -0.55 -0.24 0.00 0.01 0.00 0.00 42.46 41.71 3kxl s ILE 57 CO 0.05 0.25 0.12 -1.54 0.00 0.00 0.00 174.94 173.82 3kxl n SER 58 N 4.92 0.36 -3.95 3.58 3.41 -1.20 -4.87 113.62 115.88 3kxl n SER 58 Ca -0.11 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.35 3kxl n SER 58 Cb 0.50 1.10 -0.14 0.00 -0.26 0.00 0.00 64.21 65.41 3kxl n SER 58 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3kxl s THR 59 N -2.59 0.38 -0.23 6.66 2.01 -1.07 -3.13 115.64 117.67 3kxl s THR 59 Ca -0.09 -0.22 -0.09 0.00 0.31 0.00 0.00 61.69 61.60 3kxl s THR 59 Cb 0.07 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 3kxl s THR 59 CO 0.78 0.09 0.11 -0.22 -0.69 0.00 0.00 174.62 174.69 3kxl s LEU 60 N -0.14 3.81 -0.16 4.42 2.96 -0.10 -1.65 118.68 127.81 3kxl s LEU 60 Ca 0.02 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 3kxl s LEU 60 Cb -0.02 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.69 3kxl s LEU 60 CO -0.00 0.06 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.31 3kxl s ILE 61 N 1.10 1.65 -0.20 6.68 1.01 -0.11 0.02 121.20 131.34 3kxl s ILE 61 Ca 0.05 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 59.96 3kxl s ILE 61 Cb -0.14 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 3kxl s ILE 61 CO 0.04 0.43 -0.06 -0.63 0.00 0.00 0.00 174.94 174.72 3kxl s ILE 62 N 1.45 3.30 -1.47 2.92 1.01 0.64 -1.17 121.20 127.88 3kxl s ILE 62 Ca 0.04 -0.53 -0.11 0.00 0.00 0.00 0.00 60.65 60.05 3kxl s ILE 62 Cb -0.13 -2.47 0.03 0.00 0.01 0.00 0.00 42.46 39.89 3kxl s ILE 62 CO -0.11 0.45 2.40 0.33 0.00 0.00 0.00 174.94 178.02 3kxl n PHE 63 N 4.46 3.02 -3.79 3.97 7.35 0.16 -2.54 117.46 130.08 3kxl n PHE 63 Ca -0.18 -2.97 -0.06 0.00 -0.76 0.00 0.00 57.45 53.48 3kxl n PHE 63 Cb 0.51 -2.37 -0.02 0.00 0.35 0.00 0.00 39.48 37.95 3kxl n PHE 63 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3kxl s GLU 64 N 2.01 1.57 -0.45 -4.13 0.41 -1.26 -4.84 118.70 112.02 3kxl s GLU 64 Ca 0.53 -0.85 -0.21 0.00 -0.41 0.00 0.00 54.97 54.03 3kxl s GLU 64 Cb 0.15 0.55 0.03 0.00 -1.78 0.00 0.00 34.13 33.07 3kxl s GLU 64 CO -0.07 -0.72 0.68 -1.14 -0.49 0.00 0.00 175.26 173.53 3kxl s GLN 65 N -3.72 3.30 0.31 1.61 0.74 -1.26 -1.50 119.66 119.14 3kxl s GLN 65 Ca 0.10 -0.32 -0.16 0.00 0.05 0.00 0.00 55.36 55.03 3kxl s GLN 65 Cb -0.04 -3.96 -0.09 0.00 1.10 0.00 0.00 33.01 30.02 3kxl s GLN 65 CO 0.04 -1.06 0.74 -0.51 -0.55 0.00 0.00 175.29 173.96 3kxl s LEU 66 N 2.96 4.12 0.48 3.68 1.43 -1.26 -5.06 118.68 125.03 3kxl s LEU 66 Ca 0.24 1.33 -0.17 0.00 -1.03 0.00 0.00 54.13 54.50 3kxl s LEU 66 Cb -0.14 -3.99 -0.09 0.00 0.03 0.00 0.00 46.19 42.00 3kxl s LEU 66 CO 0.20 -0.16 0.96 -0.54 0.23 0.00 0.00 176.35 177.04 3kxl s LYS 67 N -2.77 4.01 0.44 1.70 1.02 -1.26 -4.93 119.74 117.95 3kxl s LYS 67 Ca 0.52 0.97 0.22 0.00 0.02 0.00 0.00 55.97 57.70 3kxl s LYS 67 Cb -0.12 -2.17 1.19 0.00 -0.52 0.00 0.00 37.83 36.22 3kxl s LYS 67 CO 0.18 -0.19 1.81 -1.35 -0.92 0.00 0.00 175.35 174.88 3kxl h PRO 68 N 1.21 0.30 -0.35 -1.68 0.11 -1.96 0.88 132.00 130.51 3kxl h PRO 68 Ca -0.47 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.66 3kxl h PRO 68 Cb 1.18 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 3kxl h PRO 68 CO 0.62 0.20 0.10 -0.09 -0.21 0.00 0.00 178.00 178.62 3kxl h ARG 69 N 0.31 0.24 -0.54 1.05 2.43 -1.94 -2.34 114.38 113.59 3kxl h ARG 69 Ca 0.54 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.65 3kxl h ARG 69 Cb 1.52 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 31.00 3kxl h ARG 69 CO -0.19 0.16 0.19 0.45 -1.51 0.00 0.00 179.97 179.07 3kxl h HIS 70 N 0.24 0.84 -0.13 2.20 3.86 -1.05 -2.12 115.15 118.99 3kxl h HIS 70 Ca 0.16 -0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.31 3kxl h HIS 70 Cb 0.15 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 3kxl h HIS 70 CO -0.16 0.70 0.03 0.74 0.86 0.00 0.00 177.93 180.11 3kxl h PHE 71 N 0.73 0.06 -0.42 2.45 0.04 -1.30 0.33 116.94 118.84 3kxl h PHE 71 Ca 0.18 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 3kxl h PHE 71 Cb 0.23 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 3kxl h PHE 71 CO 0.01 0.03 0.25 0.82 -0.60 0.00 0.00 178.31 178.82 3kxl h ILE 72 N 0.09 1.14 -0.49 -0.55 2.04 -1.32 0.56 117.51 118.99 3kxl h ILE 72 Ca 0.06 -0.33 -0.10 0.00 1.00 0.00 0.00 64.86 65.49 3kxl h ILE 72 Cb 0.04 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3kxl h ILE 72 CO -0.07 0.14 -0.08 0.78 0.00 0.00 0.00 178.15 178.93 3kxl h ASN 73 N 0.55 0.92 -0.10 1.72 -0.26 -1.22 -2.26 115.58 114.93 3kxl h ASN 73 Ca 0.15 -0.34 -0.08 0.00 -0.56 0.00 0.00 56.30 55.47 3kxl h ASN 73 Cb 0.01 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.03 3kxl h ASN 73 CO -0.03 1.05 -0.25 0.40 -1.06 0.00 0.00 177.43 177.54 3kxl h ILE 74 N 0.78 1.39 -0.85 2.81 2.04 -0.80 -3.22 117.51 119.66 3kxl h ILE 74 Ca 0.13 -1.55 -0.02 0.00 1.00 0.00 0.00 64.86 64.41 3kxl h ILE 74 Cb 0.62 2.14 -0.04 0.00 -0.74 0.00 0.00 36.82 38.80 3kxl h ILE 74 CO 0.04 0.45 0.44 0.03 0.00 0.00 0.00 178.15 179.11 3kxl h ARG 75 N -0.10 1.21 0.00 2.37 3.08 -0.92 -0.50 114.38 119.53 3kxl h ARG 75 Ca -0.00 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3kxl h ARG 75 Cb 0.85 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3kxl h ARG 75 CO 0.05 0.91 0.00 0.54 -1.07 0.00 0.00 179.97 180.41 3kxl n ARG 76 N -4.34 0.62 -0.04 0.04 1.74 -0.85 -2.79 116.66 111.05 3kxl n ARG 76 Ca 0.09 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.11 3kxl n ARG 76 Cb 0.12 -1.32 -0.05 0.00 -1.02 0.00 0.00 32.46 30.19 3kxl n ARG 76 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kxl n GLU 77 N -0.82 1.06 0.25 5.56 -0.58 -0.36 -4.66 120.64 121.09 3kxl n GLU 77 Ca 0.10 0.03 0.13 0.00 -0.42 0.00 0.00 57.16 57.00 3kxl n GLU 77 Cb 0.04 -1.18 0.55 0.00 -0.57 0.00 0.00 31.44 30.28 3kxl n GLU 77 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3kxl h LEU 78 N 0.00 0.00 0.00 -4.62 3.38 -0.98 -3.47 115.31 109.62 3kxl h LEU 78 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3kxl h LEU 78 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 3kxl h LEU 78 CO -0.02 0.12 0.00 1.17 0.09 0.00 0.00 178.44 179.80 3kxl n LYS 79 N -3.26 0.00 0.00 1.13 4.81 -1.16 -3.00 118.16 116.68 3kxl n LYS 79 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3kxl n LYS 79 Cb 0.38 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.43 3kxl n LYS 79 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kxl n GLY 80 N 0.00 0.00 3.74 3.14 0.00 -1.26 -5.03 105.19 105.79 3kxl n GLY 80 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3kxl n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kxl s LYS 81 N -1.82 4.37 0.51 1.61 1.02 -1.16 -5.00 119.74 119.26 3kxl s LYS 81 Ca 0.00 2.12 -0.18 0.00 0.02 0.00 0.00 55.97 57.93 3kxl s LYS 81 Cb 0.00 -3.16 -0.08 0.00 -0.52 0.00 0.00 37.83 34.08 3kxl s LYS 81 CO 0.00 -0.26 1.00 -1.21 -0.92 0.00 0.00 175.35 173.96 3kxl s GLU 82 N -0.47 3.85 -0.06 1.68 0.41 -1.18 -4.79 118.70 118.14 3kxl s GLU 82 Ca 0.56 1.11 0.03 0.00 -0.41 0.00 0.00 54.97 56.26 3kxl s GLU 82 Cb -0.38 -2.12 0.00 0.00 -1.78 0.00 0.00 34.13 29.86 3kxl s GLU 82 CO 0.42 -0.36 -0.16 0.54 -0.49 0.00 0.00 175.26 175.21 3kxl s VAL 83 N -2.38 1.36 -0.04 2.63 0.11 -1.26 -0.92 120.40 119.90 3kxl s VAL 83 Ca 0.62 -0.64 0.03 0.00 -2.93 0.00 0.00 61.98 59.06 3kxl s VAL 83 Cb -0.12 -1.20 0.00 0.00 -1.53 0.00 0.00 36.38 33.53 3kxl s VAL 83 CO 0.26 0.40 -0.12 -0.76 -3.33 0.00 0.00 175.10 171.55 3kxl s LEU 84 N 0.35 1.77 0.00 2.54 1.43 0.10 -4.97 118.68 119.90 3kxl s LEU 84 Ca -0.10 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 3kxl s LEU 84 Cb -0.14 -0.75 0.00 0.00 0.03 0.00 0.00 46.19 45.33 3kxl s LEU 84 CO 0.04 0.08 0.00 -0.90 0.23 0.00 0.00 176.35 175.80 3kxl n ASP 85 N 3.40 0.00 -0.09 2.29 5.75 -1.26 -0.26 116.55 126.39 3kxl n ASP 85 Ca -0.20 -0.88 -0.10 0.00 -0.01 0.00 0.00 54.79 53.61 3kxl n ASP 85 Cb 0.53 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.60 3kxl n ASP 85 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 3kxl h LYS 86 N 0.00 0.41 -0.25 0.11 3.64 -0.98 -1.26 116.57 118.24 3kxl h LYS 86 Ca 0.00 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3kxl h LYS 86 Cb 0.00 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3kxl h LYS 86 CO 0.00 0.37 0.07 0.82 -2.27 0.00 0.00 179.45 178.44 3kxl h ILE 87 N 0.34 1.21 -0.32 2.00 2.04 -1.91 -0.92 117.51 119.95 3kxl h ILE 87 Ca 0.10 -0.67 -0.09 0.00 1.00 0.00 0.00 64.86 65.20 3kxl h ILE 87 Cb 0.09 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3kxl h ILE 87 CO -0.01 0.22 -0.18 -0.07 0.00 0.00 0.00 178.15 178.10 3kxl h LEU 88 N 0.23 0.57 -0.17 1.44 3.38 -1.94 -1.72 115.31 117.10 3kxl h LEU 88 Ca 0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3kxl h LEU 88 Cb 0.27 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3kxl h LEU 88 CO -0.00 0.77 0.06 0.25 0.09 0.00 0.00 178.44 179.61 3kxl h LEU 89 N 0.52 0.23 -0.45 1.67 5.85 -0.99 -0.97 115.31 121.16 3kxl h LEU 89 Ca 0.08 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 3kxl h LEU 89 Cb 0.61 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3kxl h LEU 89 CO 0.04 0.35 0.12 -0.07 -0.34 0.00 0.00 178.44 178.54 3kxl h LEU 90 N 0.11 0.68 -1.09 2.25 3.38 -1.05 -0.67 115.31 118.91 3kxl h LEU 90 Ca 0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3kxl h LEU 90 Cb 0.19 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3kxl h LEU 90 CO -0.00 0.72 0.28 -0.07 0.09 0.00 0.00 178.44 179.45 3kxl h LEU 91 N 0.60 0.84 -0.92 1.67 3.38 -1.29 0.54 115.31 120.13 3kxl h LEU 91 Ca 0.14 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3kxl h LEU 91 Cb 0.30 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3kxl h LEU 91 CO -0.00 0.73 -0.19 -0.08 0.09 0.00 0.00 178.44 179.00 3kxl h GLU 92 N 0.91 0.58 -0.17 1.13 4.81 -0.81 -2.26 114.58 118.76 3kxl h GLU 92 Ca 0.22 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 3kxl h GLU 92 Cb 0.14 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 3kxl h GLU 92 CO -0.02 0.74 -0.11 0.82 -0.73 0.00 0.00 179.01 179.71 3kxl h ILE 93 N 0.52 1.32 -0.80 2.32 2.04 -0.31 -3.13 117.51 119.46 3kxl h ILE 93 Ca 0.08 -1.19 0.07 0.00 1.00 0.00 0.00 64.86 64.82 3kxl h ILE 93 Cb 0.62 1.73 -0.06 0.00 -0.74 0.00 0.00 36.82 38.36 3kxl h ILE 93 CO 0.04 0.35 0.48 -0.26 0.00 0.00 0.00 178.15 178.76 3kxl h PHE 94 N 0.05 0.87 -0.39 1.37 0.04 -0.80 -1.55 116.94 116.53 3kxl h PHE 94 Ca 0.04 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.87 3kxl h PHE 94 Cb 0.60 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 3kxl h PHE 94 CO 0.07 0.42 0.26 0.00 -0.60 0.00 0.00 178.31 178.46 3kxl h ALA 95 N 1.40 1.87 -0.22 2.45 0.00 -1.39 0.37 119.26 123.74 3kxl h ALA 95 Ca 0.36 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 3kxl h ALA 95 Cb 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kxl h ALA 95 CO -0.19 0.07 -0.32 -0.07 0.00 0.00 0.00 179.25 178.75 3kxl h LEU 96 N 0.40 0.47 0.14 0.00 3.38 -1.23 -3.21 115.31 115.25 3kxl h LEU 96 Ca 0.16 -0.18 -0.33 0.00 0.09 0.00 0.00 57.88 57.62 3kxl h LEU 96 Cb 0.15 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kxl h LEU 96 CO -0.04 0.76 -1.68 0.45 0.09 0.00 0.00 178.44 178.02 3kxl h HIS 97 N 0.40 0.53 -1.75 1.13 3.86 -1.09 -3.45 115.15 114.78 3kxl h HIS 97 Ca 0.05 -0.39 -0.67 0.00 -1.16 0.00 0.00 60.37 58.20 3kxl h HIS 97 Cb 0.75 -0.02 0.05 0.00 1.06 0.00 0.00 27.41 29.25 3kxl h HIS 97 CO 0.02 1.52 0.60 0.00 0.86 0.00 0.00 177.93 180.93 3kxl n ALA 98 N -2.77 -0.48 0.00 2.45 0.00 0.12 -4.87 120.51 114.96 3kxl n ALA 98 Ca -0.21 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.71 3kxl n ALA 98 Cb 1.06 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3kxl n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kxl n GLY 99 N 2.98 0.00 3.93 0.00 0.00 -1.26 -4.92 105.19 105.92 3kxl n GLY 99 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 3kxl n GLY 99 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kxl s SER 100 N -2.80 6.08 0.15 1.61 1.04 -1.26 -5.00 113.70 113.51 3kxl s SER 100 Ca 0.00 0.62 -0.14 0.00 0.48 0.00 0.00 55.95 56.91 3kxl s SER 100 Cb 0.00 -1.94 0.03 0.00 0.10 0.00 0.00 66.02 64.20 3kxl s SER 100 CO 0.00 -0.60 1.67 0.11 0.98 0.00 0.00 173.24 175.40 3kxl h LYS 101 N 0.35 0.75 -0.55 4.02 1.57 -1.99 -2.72 116.57 118.01 3kxl h LYS 101 Ca -0.47 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.16 3kxl h LYS 101 Cb 1.23 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 3kxl h LYS 101 CO 0.60 0.71 0.35 1.49 -0.57 0.00 0.00 179.45 182.03 3kxl h GLU 102 N 0.65 0.68 0.41 3.15 4.81 -1.99 -0.21 114.58 122.08 3kxl h GLU 102 Ca 0.16 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 3kxl h GLU 102 Cb 0.27 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3kxl h GLU 102 CO -0.00 0.45 -0.20 0.00 -0.73 0.00 0.00 179.01 178.52 3kxl h ALA 103 N 1.22 -0.55 -0.99 2.92 0.00 -1.86 0.69 119.26 120.68 3kxl h ALA 103 Ca 0.21 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.13 3kxl h ALA 103 Cb -0.03 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 3kxl h ALA 103 CO -0.07 -0.77 0.62 -0.22 0.00 0.00 0.00 179.25 178.81 3kxl h LYS 104 N -0.64 0.81 -0.03 0.00 3.64 -1.24 0.31 116.57 119.41 3kxl h LYS 104 Ca -0.06 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.10 3kxl h LYS 104 Cb 0.47 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3kxl h LYS 104 CO 0.09 0.54 -0.68 0.52 -2.27 0.00 0.00 179.45 177.65 3kxl h MET 105 N 0.84 0.52 -0.82 1.90 2.86 -0.85 -1.85 114.93 117.52 3kxl h MET 105 Ca 0.53 -0.51 0.04 0.00 -2.06 0.00 0.00 59.70 57.69 3kxl h MET 105 Cb 0.73 0.13 -0.05 0.00 0.06 0.00 0.00 31.60 32.47 3kxl h MET 105 CO -0.31 1.15 0.53 1.96 1.06 0.00 0.00 176.91 181.29 3kxl h GLN 106 N 0.09 0.98 0.10 1.72 1.08 -0.28 0.26 115.11 119.07 3kxl h GLN 106 Ca -0.08 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 3kxl h GLN 106 Cb 1.36 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 3kxl h GLN 106 CO 0.14 0.65 -0.05 0.82 -0.95 0.00 0.00 178.83 179.44 3kxl h ILE 107 N 1.01 1.03 -0.68 2.54 2.04 -0.96 -1.82 117.51 120.67 3kxl h ILE 107 Ca 0.33 -0.48 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 3kxl h ILE 107 Cb 0.03 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 3kxl h ILE 107 CO -0.12 0.12 0.32 -0.08 0.00 0.00 0.00 178.15 178.39 3kxl h GLU 108 N -0.36 0.98 -0.02 2.37 4.57 -1.12 -0.66 114.58 120.35 3kxl h GLU 108 Ca -0.01 -0.15 0.02 0.00 -1.18 0.00 0.00 59.36 58.04 3kxl h GLU 108 Cb 0.30 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 3kxl h GLU 108 CO 0.02 0.78 -0.10 1.25 -1.18 0.00 0.00 179.01 179.78 3kxl h LEU 109 N 0.94 -0.31 -1.45 1.64 5.85 -0.44 0.08 115.31 121.62 3kxl h LEU 109 Ca 0.23 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 3kxl h LEU 109 Cb 0.13 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3kxl h LEU 109 CO -0.03 -0.15 -0.10 0.00 -0.34 0.00 0.00 178.44 177.83 3kxl h ALA 110 N 0.82 1.55 -0.29 1.25 0.00 -1.14 -1.30 119.26 120.14 3kxl h ALA 110 Ca 0.05 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3kxl h ALA 110 Cb 0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3kxl h ALA 110 CO -0.12 0.32 -0.16 -0.09 0.00 0.00 0.00 179.25 179.21 3kxl h ARG 111 N 0.23 0.62 -0.31 0.00 2.43 -0.44 -2.40 114.38 114.51 3kxl h ARG 111 Ca 0.05 -0.28 -0.11 0.00 -0.81 0.00 0.00 59.98 58.83 3kxl h ARG 111 Cb 0.32 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3kxl h ARG 111 CO 0.02 0.86 -0.27 -0.07 -1.51 0.00 0.00 179.97 179.00 3kxl h LEU 112 N 0.37 0.64 -1.87 3.80 3.38 -0.72 -1.38 115.31 119.54 3kxl h LEU 112 Ca 0.06 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3kxl h LEU 112 Cb 0.68 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3kxl h LEU 112 CO 0.05 0.89 -0.13 0.11 0.09 0.00 0.00 178.44 179.44 3kxl h LYS 113 N 0.55 0.00 0.00 1.13 1.57 -1.16 -0.10 116.57 118.55 3kxl h LYS 113 Ca 0.07 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 3kxl h LYS 113 Cb 0.74 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 3kxl h LYS 113 CO 0.06 0.13 -1.26 -0.92 -0.57 0.00 0.00 179.45 176.90 3kxl h TYR 114 N 0.00 0.00 0.00 -1.35 3.20 -0.91 -3.35 116.97 114.56 3kxl h TYR 114 Ca -0.00 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.74 3kxl h TYR 114 Cb 0.32 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3kxl h TYR 114 CO 0.00 0.38 -1.24 0.93 -1.64 0.00 0.00 178.16 176.59 3kxl h GLU 115 N 0.00 0.00 0.08 1.82 4.39 -0.85 -3.39 114.58 116.64 3kxl h GLU 115 Ca -0.11 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.61 3kxl h GLU 115 Cb 1.38 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.01 3kxl h GLU 115 CO 0.03 0.26 -0.17 1.25 -1.16 0.00 0.00 179.01 179.22 3kxl h LEU 116 N 0.00 -0.47 -2.07 1.33 6.46 -1.16 -0.52 115.31 118.88 3kxl h LEU 116 Ca -0.12 0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.71 3kxl h LEU 116 Cb 1.47 0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 41.58 3kxl h LEU 116 CO 0.04 -0.24 0.03 -0.65 -0.62 0.00 0.00 178.44 176.99 3kxl h PRO 117 N -0.32 0.00 -0.14 5.25 0.11 -1.76 0.12 132.00 135.25 3kxl h PRO 117 Ca 0.03 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.94 3kxl h PRO 117 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.46 3kxl h PRO 117 CO -0.10 0.00 -0.70 0.82 -0.21 0.00 0.00 178.00 177.81 3kxl h ILE 118 N 0.00 1.32 0.00 4.15 2.04 -1.51 -2.99 117.51 120.53 3kxl h ILE 118 Ca 0.02 -1.99 -0.09 0.00 1.00 0.00 0.00 64.86 63.80 3kxl h ILE 118 Cb 0.07 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 3kxl h ILE 118 CO -0.00 0.62 -0.72 -0.29 0.00 0.00 0.00 178.15 177.76 3kxl h ILE 119 N 0.43 0.48 0.00 -0.67 2.10 -0.30 -3.21 117.51 116.34 3kxl h ILE 119 Ca -0.03 -1.75 -0.05 0.00 1.08 0.00 0.00 64.86 64.12 3kxl h ILE 119 Cb 1.29 2.10 -0.01 0.00 -1.09 0.00 0.00 36.82 39.12 3kxl h ILE 119 CO 0.13 0.27 -0.23 0.11 -1.08 0.00 0.00 178.15 177.36 3kxl h LYS 120 N 0.00 0.00 -0.65 2.19 1.57 -0.82 -3.09 116.57 115.77 3kxl h LYS 120 Ca -0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3kxl h LYS 120 Cb 1.30 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.61 3kxl h LYS 120 CO 0.04 0.23 0.00 -1.91 -0.57 0.00 0.00 179.45 177.24 3kxl n GLU 121 N -3.34 4.28 0.00 3.15 2.13 -1.13 -5.09 120.64 120.63 3kxl n GLU 121 Ca 0.01 -2.65 0.00 0.00 0.66 0.00 0.00 57.16 55.18 3kxl n GLU 121 Cb 0.46 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 30.02 3kxl n GLU 121 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 3kxl n THR 122 N 0.52 0.00 -0.20 6.31 5.66 -1.17 -5.05 114.28 120.35 3kxl n THR 122 Ca 0.23 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 61.16 3kxl n THR 122 Cb 1.05 -0.02 0.02 0.00 -1.55 0.00 0.00 70.33 69.83 3kxl n THR 122 CO 0.00 0.00 0.00 -1.13 -3.05 0.00 0.00 175.07 170.89 3kxl h ASN 177 N 0.00 0.72 -3.40 1.09 -1.24 -2.01 -3.51 115.58 107.22 3kxl h ASN 177 Ca 0.00 -0.11 -0.61 0.00 0.71 0.00 0.00 56.30 56.29 3kxl h ASN 177 Cb 0.00 -0.18 -0.40 0.00 0.73 0.00 0.00 38.32 38.47 3kxl h ASN 177 CO 0.00 0.63 -0.74 0.20 -1.29 0.00 0.00 177.43 176.23 3kxl s ASN 178 N -5.91 3.93 -0.34 1.15 0.01 -1.26 -5.09 114.94 107.42 3kxl s ASN 178 Ca -0.13 -2.19 -0.07 0.00 -0.71 0.00 0.00 52.86 49.76 3kxl s ASN 178 Cb 0.12 -1.04 0.04 0.00 0.41 0.00 0.00 41.25 40.78 3kxl s ASN 178 CO 0.77 -0.34 0.12 -0.63 -1.51 0.00 0.00 177.10 175.51 3kxl s ILE 179 N 0.90 3.85 0.55 0.60 1.01 -1.26 -4.82 121.20 122.03 3kxl s ILE 179 Ca 0.14 -1.12 -0.18 0.00 0.00 0.00 0.00 60.65 59.49 3kxl s ILE 179 Cb -0.21 -3.18 -0.06 0.00 0.01 0.00 0.00 42.46 39.02 3kxl s ILE 179 CO -0.10 -0.19 1.06 -2.84 0.00 0.00 0.00 174.94 172.86 3kxl s PRO 180 N 1.41 3.50 -0.22 2.79 0.02 -1.26 -4.84 135.00 136.40 3kxl s PRO 180 Ca -0.01 1.32 -0.08 0.00 0.02 0.00 0.00 61.00 62.25 3kxl s PRO 180 Cb -0.20 -2.05 -0.04 0.00 0.02 0.00 0.00 34.50 32.24 3kxl s PRO 180 CO 0.03 -0.67 0.08 -1.12 -0.33 0.00 0.00 177.00 174.98 3kxl s SER 181 N -2.34 5.40 -0.40 2.53 0.01 -1.26 -1.54 113.70 116.09 3kxl s SER 181 Ca 0.66 -0.08 0.04 0.00 1.31 0.00 0.00 55.95 57.88 3kxl s SER 181 Cb -0.17 -1.96 0.11 0.00 0.21 0.00 0.00 66.02 64.21 3kxl s SER 181 CO 0.29 0.05 0.13 -0.63 0.41 0.00 0.00 173.24 173.48 3kxl s ILE 182 N 1.12 2.43 0.14 1.44 -1.09 -0.10 -1.52 121.20 123.61 3kxl s ILE 182 Ca 0.05 -2.66 -0.30 0.00 -2.23 0.00 0.00 60.65 55.51 3kxl s ILE 182 Cb -0.14 -2.75 -0.07 0.00 -1.58 0.00 0.00 42.46 37.92 3kxl s ILE 182 CO 0.03 -0.67 1.07 -0.83 -1.23 0.00 0.00 174.94 173.31 3kxl s GLY 183 N 0.55 2.84 -0.51 6.18 0.00 -0.85 -1.64 107.32 113.89 3kxl s GLY 183 Ca 0.13 0.74 -0.15 0.00 0.00 0.00 0.00 44.72 45.44 3kxl s GLY 183 CO -0.05 1.65 0.44 -0.42 0.00 0.00 0.00 173.10 174.72 3kxl s ILE 184 N 0.04 5.05 0.42 0.90 1.01 0.19 -0.28 121.20 128.54 3kxl s ILE 184 Ca 0.50 -1.42 0.08 0.00 0.00 0.00 0.00 60.65 59.81 3kxl s ILE 184 Cb -0.27 -4.18 0.01 0.00 0.01 0.00 0.00 42.46 38.02 3kxl s ILE 184 CO 0.32 -0.77 0.56 0.68 0.00 0.00 0.00 174.94 175.74 3kxl s VAL 185 N 1.57 2.95 0.00 2.92 -7.23 -0.66 -3.69 120.40 116.26 3kxl s VAL 185 Ca 0.04 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 3kxl s VAL 185 Cb -0.28 -2.98 0.00 0.00 0.56 0.00 0.00 36.38 33.68 3kxl s VAL 185 CO 0.03 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.43 3kxl n GLY 186 N -1.83 2.04 3.84 2.32 0.00 -1.26 -1.27 105.19 109.02 3kxl n GLY 186 Ca 0.08 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 3kxl n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kxl s TYR 187 N -1.65 2.92 0.44 1.61 1.51 -1.26 -0.81 117.35 120.12 3kxl s TYR 187 Ca 0.00 1.01 0.14 0.00 -1.01 0.00 0.00 57.07 57.21 3kxl s TYR 187 Cb 0.00 -3.21 0.98 0.00 -0.11 0.00 0.00 41.96 39.62 3kxl s TYR 187 CO 0.00 -1.72 1.99 1.15 -1.11 0.00 0.00 175.55 175.86 3kxl h THR 188 N -1.04 1.13 -0.06 -0.71 2.02 -1.88 -2.12 112.91 110.25 3kxl h THR 188 Ca -0.47 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.10 3kxl h THR 188 Cb 1.28 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 3kxl h THR 188 CO 0.62 0.18 0.00 -0.46 0.37 0.00 0.00 175.52 176.23 3kxl n ASN 189 N -4.33 1.49 0.23 4.18 0.23 -1.26 -3.95 115.26 111.85 3kxl n ASN 189 Ca -0.02 -1.54 0.12 0.00 -0.53 0.00 0.00 54.58 52.61 3kxl n ASN 189 Cb 0.24 -0.03 0.35 0.00 -2.08 0.00 0.00 39.78 38.26 3kxl n ASN 189 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3kxl h SER 190 N 2.22 0.00 0.00 0.53 4.64 -1.71 -3.44 113.55 115.80 3kxl h SER 190 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kxl h SER 190 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3kxl h SER 190 CO 0.00 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 3kxl n GLY 191 N 0.66 0.49 0.30 -0.77 0.00 -1.25 -4.47 105.19 100.14 3kxl n GLY 191 Ca 0.02 -0.91 0.04 0.00 0.00 0.00 0.00 46.02 45.17 3kxl n GLY 191 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kxl h LYS 192 N 0.00 0.48 -0.37 1.61 2.10 -1.85 -2.40 116.57 116.14 3kxl h LYS 192 Ca 0.00 -0.04 -0.04 0.00 -2.00 0.00 0.00 60.65 58.57 3kxl h LYS 192 Cb 0.26 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 31.47 3kxl h LYS 192 CO 0.00 0.35 0.08 1.15 -2.00 0.00 0.00 179.45 179.03 3kxl h THR 193 N 0.49 1.23 -0.58 0.07 2.02 -1.92 -1.35 112.91 112.87 3kxl h THR 193 Ca 0.13 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 3kxl h THR 193 Cb 0.00 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 3kxl h THR 193 CO -0.02 0.27 0.31 0.28 0.37 0.00 0.00 175.52 176.73 3kxl h SER 194 N 0.46 0.71 -0.44 4.18 0.02 -1.86 -1.31 113.55 115.32 3kxl h SER 194 Ca 0.12 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 3kxl h SER 194 Cb 0.32 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 3kxl h SER 194 CO 0.00 0.59 0.03 0.25 -1.14 0.00 0.00 176.83 176.56 3kxl h LEU 195 N 0.81 0.73 -0.62 5.07 5.85 -1.10 -1.73 115.31 124.31 3kxl h LEU 195 Ca 0.21 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3kxl h LEU 195 Cb 0.04 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 3kxl h LEU 195 CO -0.03 0.83 0.40 0.15 -0.34 0.00 0.00 178.44 179.46 3kxl h PHE 196 N 0.60 0.79 0.00 1.25 3.57 -0.69 -1.49 116.94 120.97 3kxl h PHE 196 Ca 0.13 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 3kxl h PHE 196 Cb 0.44 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3kxl h PHE 196 CO 0.03 0.50 -0.35 -0.91 -2.23 0.00 0.00 178.31 175.35 3kxl h ASN 197 N 0.84 0.00 -0.00 0.41 2.35 -1.11 -1.23 115.58 116.83 3kxl h ASN 197 Ca 0.23 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.86 3kxl h ASN 197 Cb -0.08 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.29 3kxl h ASN 197 CO -0.05 0.35 -0.43 0.28 -1.65 0.00 0.00 177.43 175.93 3kxl h SER 198 N 0.00 0.39 0.45 5.81 0.02 -0.89 0.24 113.55 119.57 3kxl h SER 198 Ca -0.00 -0.76 -0.08 0.00 -0.84 0.00 0.00 61.79 60.11 3kxl h SER 198 Cb 0.65 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 3kxl h SER 198 CO 0.05 1.10 -0.36 -0.07 -1.14 0.00 0.00 176.83 176.41 3kxl h LEU 199 N -0.28 0.00 0.16 5.07 3.38 -1.23 -3.12 115.31 119.29 3kxl h LEU 199 Ca -0.05 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.58 3kxl h LEU 199 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3kxl h LEU 199 CO 0.09 0.36 -1.70 0.74 0.09 0.00 0.00 178.44 178.01 3kxl h THR 200 N 0.00 0.98 0.00 0.22 2.02 -1.26 -3.48 112.91 111.39 3kxl h THR 200 Ca -0.00 -2.59 0.00 0.00 0.77 0.00 0.00 66.41 64.59 3kxl h THR 200 Cb 0.68 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 3kxl h THR 200 CO 0.05 0.84 0.00 0.61 0.37 0.00 0.00 175.52 177.38 3kxl n GLY 201 N 1.80 1.00 0.00 2.16 0.00 0.71 -5.05 105.19 105.82 3kxl n GLY 201 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3kxl n GLY 201 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kxl n LEU 202 N 0.00 0.00 0.00 0.99 4.77 -0.45 -5.00 117.00 117.31 3kxl n LEU 202 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3kxl n LEU 202 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3kxl n LEU 202 CO 0.00 -0.05 0.00 -1.20 -1.33 0.00 0.00 177.39 174.81 3kxl n SER 215 N 0.00 0.00 -4.76 -1.43 7.64 -1.26 -4.86 113.62 108.94 3kxl n SER 215 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.49 3kxl n SER 215 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 3kxl n SER 215 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3kxl s PRO 216 N -0.92 3.64 0.04 1.43 0.02 -1.26 -4.93 135.00 133.02 3kxl s PRO 216 Ca 0.00 2.33 0.25 0.00 0.02 0.00 0.00 61.00 63.60 3kxl s PRO 216 Cb 0.00 -2.60 0.51 0.00 0.02 0.00 0.00 34.50 32.43 3kxl s PRO 216 CO 0.00 -0.82 1.42 1.63 -0.33 0.00 0.00 177.00 178.90 3kxl n LYS 217 N -0.29 0.09 -4.32 5.54 4.01 -1.26 -4.77 118.16 117.16 3kxl n LYS 217 Ca 0.06 0.02 -0.25 0.00 -0.51 0.00 0.00 58.31 57.63 3kxl n LYS 217 Cb 0.43 -1.56 -0.17 0.00 -0.51 0.00 0.00 35.03 33.22 3kxl n LYS 217 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3kxl s ARG 218 N -3.05 1.65 -0.13 1.97 3.00 -1.26 -0.11 118.95 121.01 3kxl s ARG 218 Ca 0.10 -0.36 -0.07 0.00 0.00 0.00 0.00 55.73 55.40 3kxl s ARG 218 Cb 0.16 -1.48 0.05 0.00 0.00 0.00 0.00 34.95 33.68 3kxl s ARG 218 CO 0.70 -0.09 0.31 -0.47 0.00 0.00 0.00 175.30 175.75 3kxl s TYR 219 N 1.06 -0.44 -0.02 -0.53 5.04 -0.68 -5.01 117.35 116.77 3kxl s TYR 219 Ca -0.07 0.99 -0.17 0.00 -2.44 0.00 0.00 57.07 55.38 3kxl s TYR 219 Cb -0.15 0.14 -0.05 0.00 0.35 0.00 0.00 41.96 42.25 3kxl s TYR 219 CO -0.01 -0.27 0.47 0.00 -1.34 0.00 0.00 175.55 174.40 3kxl s ALA 220 N 1.27 3.59 -0.01 3.97 0.00 -1.26 -0.92 121.76 128.39 3kxl s ALA 220 Ca -0.09 -0.14 0.06 0.00 0.00 0.00 0.00 51.96 51.79 3kxl s ALA 220 Cb -0.09 -2.54 -0.01 0.00 0.00 0.00 0.00 23.12 20.47 3kxl s ALA 220 CO -0.10 0.29 -0.19 0.96 0.00 0.00 0.00 175.76 176.73 3kxl s ILE 221 N -0.49 1.46 -0.11 0.00 -4.36 0.02 -4.93 121.20 112.79 3kxl s ILE 221 Ca 0.26 -0.81 -0.28 0.00 -0.26 0.00 0.00 60.65 59.56 3kxl s ILE 221 Cb -0.17 -1.22 -0.01 0.00 1.25 0.00 0.00 42.46 42.31 3kxl s ILE 221 CO 0.14 0.40 0.96 -2.84 0.24 0.00 0.00 174.94 173.84 3kxl s PRO 222 N -0.47 4.41 -0.30 0.37 0.02 -1.26 -0.86 135.00 136.90 3kxl s PRO 222 Ca 0.07 1.30 0.01 0.00 0.02 0.00 0.00 61.00 62.39 3kxl s PRO 222 Cb -0.07 -3.54 0.09 0.00 0.02 0.00 0.00 34.50 31.00 3kxl s PRO 222 CO -0.01 -0.29 0.06 0.42 -0.33 0.00 0.00 177.00 176.86 3kxl s ILE 223 N 1.94 1.29 0.00 2.83 1.01 0.14 -4.99 121.20 123.42 3kxl s ILE 223 Ca 0.46 -1.58 0.00 0.00 0.00 0.00 0.00 60.65 59.53 3kxl s ILE 223 Cb -0.18 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.38 3kxl s ILE 223 CO 0.17 -0.56 0.00 0.59 0.00 0.00 0.00 174.94 175.14 3kxl n ASN 224 N 4.68 0.00 -1.54 3.58 5.03 -1.26 -1.68 115.26 124.07 3kxl n ASN 224 Ca -0.02 0.00 0.09 0.00 0.87 0.00 0.00 54.58 55.52 3kxl n ASN 224 Cb 0.42 0.00 0.35 0.00 -1.02 0.00 0.00 39.78 39.53 3kxl n ASN 224 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 3kxl n ASN 225 N 9.25 4.79 -4.35 6.41 6.94 -1.26 -4.95 115.26 132.10 3kxl n ASN 225 Ca 0.00 -2.56 -0.27 0.00 -0.02 0.00 0.00 54.58 51.73 3kxl n ASN 225 Cb 0.00 -0.58 -0.13 0.00 -2.36 0.00 0.00 39.78 36.71 3kxl n ASN 225 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3kxl s ARG 226 N -2.06 1.29 -0.15 -3.83 0.52 -0.68 -5.13 118.95 108.92 3kxl s ARG 226 Ca 0.50 -1.28 0.01 0.00 -0.52 0.00 0.00 55.73 54.44 3kxl s ARG 226 Cb 0.34 -1.68 0.02 0.00 0.52 0.00 0.00 34.95 34.14 3kxl s ARG 226 CO 0.21 0.39 -0.17 0.21 0.02 0.00 0.00 175.30 175.97 3kxl s LYS 227 N -2.03 2.59 -0.14 3.54 2.20 -1.26 0.27 119.74 124.91 3kxl s LYS 227 Ca 0.11 -0.68 -0.04 0.00 -0.36 0.00 0.00 55.97 55.00 3kxl s LYS 227 Cb -0.10 -2.26 -0.03 0.00 -1.51 0.00 0.00 37.83 33.93 3kxl s LYS 227 CO 0.05 -0.17 0.02 0.42 -0.36 0.00 0.00 175.35 175.31 3kxl s ILE 228 N 1.26 4.41 -0.63 5.43 1.09 -0.04 -4.35 121.20 128.38 3kxl s ILE 228 Ca 0.02 -0.18 -0.22 0.00 -1.10 0.00 0.00 60.65 59.16 3kxl s ILE 228 Cb -0.14 -2.93 0.07 0.00 -1.06 0.00 0.00 42.46 38.40 3kxl s ILE 228 CO -0.09 0.53 0.92 -0.32 -0.10 0.00 0.00 174.94 175.88 3kxl s MET 229 N -0.11 3.14 -0.12 2.79 1.75 -0.59 -0.80 119.30 125.35 3kxl s MET 229 Ca 0.05 -0.77 -0.27 0.00 -1.25 0.00 0.00 55.69 53.45 3kxl s MET 229 Cb -0.12 -4.19 -0.02 0.00 2.84 0.00 0.00 34.83 33.34 3kxl s MET 229 CO 0.02 -1.71 0.91 -0.51 -0.65 0.00 0.00 175.02 173.08 3kxl s LEU 230 N 3.87 4.23 -0.33 4.11 1.43 -0.10 -0.93 118.68 130.96 3kxl s LEU 230 Ca 0.22 1.37 -0.04 0.00 -1.03 0.00 0.00 54.13 54.65 3kxl s LEU 230 Cb -0.17 -3.39 0.05 0.00 0.03 0.00 0.00 46.19 42.71 3kxl s LEU 230 CO 0.12 -0.40 0.07 -0.69 0.23 0.00 0.00 176.35 175.68 3kxl s VAL 231 N 1.94 3.42 -1.02 -1.59 1.01 -0.65 -1.68 120.40 121.82 3kxl s VAL 231 Ca 0.44 -1.31 -0.23 0.00 0.00 0.00 0.00 61.98 60.88 3kxl s VAL 231 Cb -0.18 -2.98 0.04 0.00 0.00 0.00 0.00 36.38 33.26 3kxl s VAL 231 CO 0.16 -0.19 1.53 -0.62 0.00 0.00 0.00 175.10 175.98 3kxl s ASP 232 N 1.39 6.33 0.73 3.32 2.15 0.84 -0.64 116.67 130.79 3kxl s ASP 232 Ca -0.02 -1.40 -0.11 0.00 0.43 0.00 0.00 52.55 51.45 3kxl s ASP 232 Cb -0.20 -2.57 0.03 0.00 -0.30 0.00 0.00 42.92 39.88 3kxl s ASP 232 CO 0.01 -1.67 1.08 0.28 -0.17 0.00 0.00 175.17 174.70 3kxl s THR 233 N 5.66 3.63 0.09 1.71 -1.32 -1.24 -4.86 115.64 119.30 3kxl s THR 233 Ca 0.50 0.53 -0.31 0.00 -1.21 0.00 0.00 61.69 61.20 3kxl s THR 233 Cb -0.01 -3.36 -0.09 0.00 -1.51 0.00 0.00 72.50 67.53 3kxl s THR 233 CO -0.08 -0.69 1.68 0.54 -2.21 0.00 0.00 174.62 173.86 3kxl s VAL 234 N -3.18 2.89 0.67 5.08 0.11 -1.26 -4.90 120.40 119.81 3kxl s VAL 234 Ca 0.59 0.40 -0.16 0.00 -2.93 0.00 0.00 61.98 59.88 3kxl s VAL 234 Cb -0.13 -3.26 0.01 0.00 -1.53 0.00 0.00 36.38 31.47 3kxl s VAL 234 CO 0.54 0.00 1.15 -0.94 -3.33 0.00 0.00 175.10 172.52 3kxl s SER 235 N 2.32 4.86 0.35 3.54 1.04 -1.26 -4.85 113.70 119.70 3kxl s SER 235 Ca 0.75 2.15 -0.28 0.00 0.48 0.00 0.00 55.95 59.04 3kxl s SER 235 Cb -0.41 -2.57 -0.11 0.00 0.10 0.00 0.00 66.02 63.03 3kxl s SER 235 CO 0.33 -1.80 1.44 -0.36 0.98 0.00 0.00 173.24 173.83 3kxl s PHE 236 N -2.14 2.73 -0.09 5.02 0.08 0.01 -4.83 117.98 118.76 3kxl s PHE 236 Ca 0.70 1.21 0.02 0.00 0.12 0.00 0.00 56.93 58.97 3kxl s PHE 236 Cb -0.24 -3.93 0.02 0.00 -0.57 0.00 0.00 43.02 38.30 3kxl s PHE 236 CO 0.41 -2.72 -0.13 0.42 -0.10 0.00 0.00 175.22 173.11 3kxl s ILE 237 N -1.02 1.28 0.19 0.64 1.01 -1.26 -3.47 121.20 118.56 3kxl s ILE 237 Ca 0.53 -0.52 -0.21 0.00 0.00 0.00 0.00 60.65 60.44 3kxl s ILE 237 Cb -0.45 -1.19 -0.08 0.00 0.01 0.00 0.00 42.46 40.76 3kxl s ILE 237 CO 0.59 0.40 0.72 -0.13 0.00 0.00 0.00 174.94 176.52 3kxl s ARG 238 N 0.99 4.35 -0.69 2.79 0.52 -1.26 -4.47 118.95 121.18 3kxl s ARG 238 Ca -0.08 0.95 -0.04 0.00 -0.52 0.00 0.00 55.73 56.04 3kxl s ARG 238 Cb -0.15 -3.05 0.01 0.00 0.52 0.00 0.00 34.95 32.28 3kxl s ARG 238 CO -0.01 0.48 0.67 0.41 0.02 0.00 0.00 175.30 176.87 3kxl n GLY 239 N 1.13 -1.21 3.79 -3.53 0.00 -1.26 -4.99 105.19 99.11 3kxl n GLY 239 Ca -0.04 0.64 -0.37 0.00 0.00 0.00 0.00 46.02 46.25 3kxl n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kxl s ILE 240 N -2.88 5.28 0.07 -0.61 1.01 -1.26 -5.04 121.20 117.76 3kxl s ILE 240 Ca 0.05 0.55 -0.37 0.00 0.00 0.00 0.00 60.65 60.89 3kxl s ILE 240 Cb -0.01 -3.60 -0.17 0.00 0.01 0.00 0.00 42.46 38.69 3kxl s ILE 240 CO 0.78 0.48 1.36 -2.65 0.00 0.00 0.00 174.94 174.91 3kxl n PRO 241 N 2.80 1.13 0.07 2.79 -0.02 -1.26 -4.83 135.00 135.67 3kxl n PRO 241 Ca -0.14 0.41 0.19 0.00 -2.02 0.00 0.00 63.50 61.94 3kxl n PRO 241 Cb 0.53 -2.05 0.72 0.00 -0.02 0.00 0.00 33.50 32.67 3kxl n PRO 241 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kxl h PRO 242 N 4.66 0.00 0.00 0.52 0.11 -2.01 -1.57 132.00 133.71 3kxl h PRO 242 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kxl h PRO 242 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3kxl h PRO 242 CO 0.78 0.00 0.00 -0.56 -0.21 0.00 0.00 178.00 178.01 3kxl h GLN 243 N 0.00 0.00 0.00 1.05 -0.00 -2.02 -3.15 115.11 110.99 3kxl h GLN 243 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.85 3kxl h GLN 243 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.34 3kxl h GLN 243 CO -0.00 0.00 -0.01 0.44 -0.00 0.00 0.00 178.83 179.26 3kxl n ILE 244 N -2.64 1.53 0.01 1.86 -5.35 -0.60 -4.77 119.36 109.41 3kxl n ILE 244 Ca 0.02 -1.78 -0.12 0.00 -0.27 0.00 0.00 62.75 60.61 3kxl n ILE 244 Cb 0.33 0.03 -0.06 0.00 -1.74 0.00 0.00 39.64 38.20 3kxl n ILE 244 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3kxl h VAL 245 N 0.20 1.06 -0.52 7.28 2.07 -1.50 -1.75 116.25 123.09 3kxl h VAL 245 Ca 0.00 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 3kxl h VAL 245 Cb 0.85 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 3kxl h VAL 245 CO 0.00 0.05 0.13 0.44 0.02 0.00 0.00 177.57 178.21 3kxl h ASP 246 N 0.02 0.73 -0.64 0.57 5.19 -1.86 0.03 116.42 120.46 3kxl h ASP 246 Ca 0.02 -0.12 -0.04 0.00 -0.62 0.00 0.00 57.03 56.26 3kxl h ASP 246 Cb 0.06 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.35 3kxl h ASP 246 CO -0.00 0.72 0.23 0.00 -3.12 0.00 0.00 179.24 177.06 3kxl h ALA 247 N 1.38 0.84 -0.14 3.45 0.00 -1.78 -2.59 119.26 120.42 3kxl h ALA 247 Ca 0.17 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 3kxl h ALA 247 Cb 0.28 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.82 3kxl h ALA 247 CO -0.00 0.49 -0.66 0.35 0.00 0.00 0.00 179.25 179.42 3kxl h PHE 248 N 0.92 0.93 -0.47 0.00 3.57 -0.91 -2.75 116.94 118.22 3kxl h PHE 248 Ca 0.21 -0.41 0.03 0.00 3.53 0.00 0.00 57.97 61.33 3kxl h PHE 248 Cb 0.25 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 3kxl h PHE 248 CO 0.02 1.22 0.26 0.35 -2.23 0.00 0.00 178.31 177.93 3kxl h PHE 249 N 0.37 0.48 -0.36 0.41 3.04 -0.95 0.39 116.94 120.32 3kxl h PHE 249 Ca -0.04 0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.77 3kxl h PHE 249 Cb 1.30 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.65 3kxl h PHE 249 CO 0.10 0.26 -0.38 0.28 -2.02 0.00 0.00 178.31 176.55 3kxl h VAL 250 N 0.52 1.28 -0.65 1.41 2.07 -1.53 1.00 116.25 120.34 3kxl h VAL 250 Ca 0.20 -1.55 -0.06 0.00 0.82 0.00 0.00 66.70 66.11 3kxl h VAL 250 Cb 0.06 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3kxl h VAL 250 CO -0.11 0.51 0.17 0.74 0.02 0.00 0.00 177.57 178.90 3kxl h THR 251 N 0.69 1.25 -0.05 2.57 2.02 -1.23 -2.84 112.91 115.32 3kxl h THR 251 Ca 0.05 -0.89 -0.22 0.00 0.77 0.00 0.00 66.41 66.12 3kxl h THR 251 Cb 0.97 0.57 0.01 0.00 -1.74 0.00 0.00 68.15 67.95 3kxl h THR 251 CO 0.09 0.34 -0.88 0.25 0.37 0.00 0.00 175.52 175.69 3kxl h LEU 252 N 0.97 0.68 -1.83 2.58 5.85 -0.82 -3.15 115.31 119.59 3kxl h LEU 252 Ca 0.21 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3kxl h LEU 252 Cb 0.32 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3kxl h LEU 252 CO -0.00 1.29 0.00 0.28 -0.34 0.00 0.00 178.44 179.67 3kxl h SER 253 N 0.34 0.00 0.22 1.25 0.02 -0.56 -1.66 113.55 113.15 3kxl h SER 253 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3kxl h SER 253 Cb 1.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.05 3kxl h SER 253 CO 0.16 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.23 3kxl n GLU 254 N -2.53 0.14 0.03 3.45 1.02 -1.12 -1.32 120.64 120.31 3kxl n GLU 254 Ca -0.02 0.56 0.11 0.00 -0.02 0.00 0.00 57.16 57.79 3kxl n GLU 254 Cb 0.07 -1.88 0.46 0.00 -0.02 0.00 0.00 31.44 30.07 3kxl n GLU 254 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kxl n ALA 255 N -1.75 1.99 0.44 0.62 0.00 -0.62 -2.73 120.51 118.45 3kxl n ALA 255 Ca -0.00 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.52 3kxl n ALA 255 Cb 0.09 -1.37 0.47 0.00 0.00 0.00 0.00 19.45 18.63 3kxl n ALA 255 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3kxl h LYS 256 N 0.00 0.00 -0.01 0.00 2.10 -1.43 -2.97 116.57 114.25 3kxl h LYS 256 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kxl h LYS 256 Cb 0.43 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 3kxl h LYS 256 CO 0.00 0.00 -0.05 0.66 -2.00 0.00 0.00 179.45 178.06 3kxl n TYR 257 N -2.43 0.00 -2.74 0.07 4.02 -1.11 -4.89 117.16 110.09 3kxl n TYR 257 Ca 0.03 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.57 3kxl n TYR 257 Cb 0.32 -0.02 -0.06 0.00 -0.02 0.00 0.00 39.34 39.56 3kxl n TYR 257 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3kxl s SER 258 N -2.09 7.03 0.21 7.72 0.01 -1.12 -4.97 113.70 120.49 3kxl s SER 258 Ca 0.35 1.83 -0.02 0.00 1.31 0.00 0.00 55.95 59.41 3kxl s SER 258 Cb 0.21 -2.57 0.17 0.00 0.21 0.00 0.00 66.02 64.04 3kxl s SER 258 CO 0.37 -0.29 1.56 0.44 0.41 0.00 0.00 173.24 175.73 3kxl h ASP 259 N 2.51 0.63 -5.40 2.44 3.32 -1.62 -3.47 116.42 114.83 3kxl h ASP 259 Ca -0.48 -0.29 -0.16 0.00 0.02 0.00 0.00 57.03 56.12 3kxl h ASP 259 Cb 1.19 -0.18 -0.10 0.00 0.22 0.00 0.00 39.33 40.46 3kxl h ASP 259 CO 0.63 0.98 -0.27 0.00 -1.72 0.00 0.00 179.24 178.85 3kxl s ALA 260 N -4.19 0.38 0.06 3.45 0.00 -0.93 -4.21 121.76 116.31 3kxl s ALA 260 Ca -0.08 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.63 3kxl s ALA 260 Cb 0.12 1.18 -0.03 0.00 0.00 0.00 0.00 23.12 24.38 3kxl s ALA 260 CO 0.83 -0.77 -0.05 -0.51 0.00 0.00 0.00 175.76 175.27 3kxl s LEU 261 N -3.11 2.41 -0.33 0.00 1.43 -0.87 -2.01 118.68 116.20 3kxl s LEU 261 Ca 0.29 -0.84 0.04 0.00 -1.03 0.00 0.00 54.13 52.59 3kxl s LEU 261 Cb 0.01 0.05 0.10 0.00 0.03 0.00 0.00 46.19 46.38 3kxl s LEU 261 CO 0.13 -0.45 0.04 -0.63 0.23 0.00 0.00 176.35 175.67 3kxl s ILE 262 N -2.99 2.23 -0.48 -0.59 1.01 0.62 -1.01 121.20 119.98 3kxl s ILE 262 Ca 0.01 -2.27 -0.28 0.00 0.00 0.00 0.00 60.65 58.11 3kxl s ILE 262 Cb 0.01 -2.63 0.03 0.00 0.01 0.00 0.00 42.46 39.88 3kxl s ILE 262 CO -0.05 -0.56 1.11 -0.22 0.00 0.00 0.00 174.94 175.21 3kxl s LEU 263 N 0.94 3.69 -0.08 2.97 2.96 -0.97 -1.65 118.68 126.52 3kxl s LEU 263 Ca 0.10 0.38 -0.22 0.00 -0.22 0.00 0.00 54.13 54.16 3kxl s LEU 263 Cb -0.19 -3.47 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 3kxl s LEU 263 CO -0.08 -1.24 0.65 -0.69 -1.32 0.00 0.00 176.35 173.67 3kxl s VAL 264 N 4.38 5.08 -0.11 1.68 1.01 -0.40 -0.99 120.40 131.05 3kxl s VAL 264 Ca 0.46 1.34 0.03 0.00 0.00 0.00 0.00 61.98 63.80 3kxl s VAL 264 Cb -0.08 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.32 3kxl s VAL 264 CO 0.31 0.26 -0.20 -0.63 0.00 0.00 0.00 175.10 174.83 3kxl s ILE 265 N 0.81 1.84 -0.39 2.22 -1.09 -0.45 -4.32 121.20 119.81 3kxl s ILE 265 Ca 0.35 -0.87 -0.29 0.00 -2.23 0.00 0.00 60.65 57.61 3kxl s ILE 265 Cb -0.17 -1.62 0.01 0.00 -1.58 0.00 0.00 42.46 39.10 3kxl s ILE 265 CO 0.16 0.51 1.39 -0.62 -1.23 0.00 0.00 174.94 175.15 3kxl s ASP 266 N 0.64 6.40 0.38 3.58 2.15 -1.26 -0.13 116.67 128.43 3kxl s ASP 266 Ca -0.13 0.89 0.25 0.00 0.43 0.00 0.00 52.55 54.00 3kxl s ASP 266 Cb -0.16 -2.54 0.65 0.00 -0.30 0.00 0.00 42.92 40.57 3kxl s ASP 266 CO 0.03 -1.37 1.71 0.77 -0.17 0.00 0.00 175.17 176.15 3kxl h SER 267 N 10.44 0.00 0.17 -0.34 4.64 -1.54 -3.25 113.55 123.67 3kxl h SER 267 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3kxl h SER 267 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3kxl h SER 267 CO 1.08 0.00 0.00 0.71 -0.87 0.00 0.00 176.83 177.75 3kxl h THR 268 N 0.00 0.00 -4.12 2.95 1.35 -1.80 -3.44 112.91 107.86 3kxl h THR 268 Ca 0.00 -0.07 -0.53 0.00 -0.55 0.00 0.00 66.41 65.25 3kxl h THR 268 Cb 0.82 0.86 0.13 0.00 -1.73 0.00 0.00 68.15 68.23 3kxl h THR 268 CO 0.00 0.00 0.46 -0.36 -0.25 0.00 0.00 175.52 175.37 3kxl s PHE 269 N -3.82 2.29 1.03 4.73 0.08 -1.23 -5.02 117.98 116.05 3kxl s PHE 269 Ca -0.03 1.53 -0.13 0.00 0.12 0.00 0.00 56.93 58.42 3kxl s PHE 269 Cb 0.10 -3.50 0.21 0.00 -0.57 0.00 0.00 43.02 39.26 3kxl s PHE 269 CO 0.35 -2.37 1.09 -1.54 -0.10 0.00 0.00 175.22 172.64 3kxl s SER 270 N -1.69 2.31 0.14 1.36 1.04 -1.26 -4.57 113.70 111.03 3kxl s SER 270 Ca 0.77 1.19 -0.27 0.00 0.48 0.00 0.00 55.95 58.12 3kxl s SER 270 Cb -0.31 -1.87 -0.03 0.00 0.10 0.00 0.00 66.02 63.91 3kxl s SER 270 CO 0.36 -3.33 1.59 -0.33 0.98 0.00 0.00 173.24 172.52 3kxl h GLU 271 N -2.03 -0.41 -0.38 4.02 4.39 -1.95 0.54 114.58 118.76 3kxl h GLU 271 Ca -0.56 0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.11 3kxl h GLU 271 Cb 1.34 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.07 3kxl h GLU 271 CO 0.57 -0.27 0.00 -0.91 -1.16 0.00 0.00 179.01 177.24 3kxl h ASN 272 N -0.43 0.65 -0.24 1.42 -0.26 -1.99 -2.13 115.58 112.60 3kxl h ASN 272 Ca 0.10 -0.31 -0.06 0.00 -0.56 0.00 0.00 56.30 55.47 3kxl h ASN 272 Cb 0.59 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.66 3kxl h ASN 272 CO -0.41 0.80 -0.02 -0.07 -1.06 0.00 0.00 177.43 176.67 3kxl h LEU 273 N 0.48 0.52 -0.50 1.61 3.38 -1.83 -1.07 115.31 117.90 3kxl h LEU 273 Ca 0.11 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3kxl h LEU 273 Cb 0.46 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3kxl h LEU 273 CO 0.02 0.61 0.10 0.25 0.09 0.00 0.00 178.44 179.51 3kxl h LEU 274 N 0.53 0.77 -1.18 1.67 5.85 0.24 0.12 115.31 123.31 3kxl h LEU 274 Ca 0.11 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 3kxl h LEU 274 Cb 0.37 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3kxl h LEU 274 CO 0.01 0.82 0.13 0.40 -0.34 0.00 0.00 178.44 179.46 3kxl h ILE 275 N 0.69 1.20 -0.36 4.05 2.04 -0.99 -1.44 117.51 122.69 3kxl h ILE 275 Ca 0.15 -0.70 -0.15 0.00 1.00 0.00 0.00 64.86 65.17 3kxl h ILE 275 Cb 0.36 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3kxl h ILE 275 CO 0.01 0.26 -0.34 -0.08 0.00 0.00 0.00 178.15 178.00 3kxl h GLU 276 N 0.69 0.87 -0.43 2.37 4.22 -0.70 -0.41 114.58 121.19 3kxl h GLU 276 Ca 0.16 -0.45 -0.08 0.00 0.08 0.00 0.00 59.36 59.07 3kxl h GLU 276 Cb 0.23 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3kxl h GLU 276 CO -0.01 1.10 -0.02 1.15 -2.18 0.00 0.00 179.01 179.05 3kxl h THR 277 N 0.67 1.26 -0.00 0.32 2.02 -0.74 0.74 112.91 117.18 3kxl h THR 277 Ca 0.06 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.16 3kxl h THR 277 Cb 0.93 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 3kxl h THR 277 CO 0.09 0.37 0.00 0.25 0.37 0.00 0.00 175.52 176.59 3kxl h LEU 278 N 0.61 0.00 -0.57 2.58 6.46 -1.23 -0.91 115.31 122.26 3kxl h LEU 278 Ca 0.12 -0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.68 3kxl h LEU 278 Cb 0.53 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 3kxl h LEU 278 CO 0.03 0.19 0.31 -0.61 -0.62 0.00 0.00 178.44 177.73 3kxl h GLN 279 N -0.18 0.79 -0.47 1.25 4.15 -1.02 -2.45 115.11 117.18 3kxl h GLN 279 Ca 0.00 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.30 3kxl h GLN 279 Cb 0.19 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 3kxl h GLN 279 CO -0.00 0.61 0.18 0.77 -1.93 0.00 0.00 178.83 178.45 3kxl h SER 280 N 0.76 0.65 -0.20 -0.69 0.02 -0.81 -1.16 113.55 112.12 3kxl h SER 280 Ca 0.20 -0.18 0.05 0.00 -0.84 0.00 0.00 61.79 61.02 3kxl h SER 280 Cb 0.05 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.37 3kxl h SER 280 CO -0.03 0.65 -0.10 0.28 -1.14 0.00 0.00 176.83 176.49 3kxl h SER 281 N 0.61 -0.34 -0.09 3.07 0.02 -0.90 0.15 113.55 116.07 3kxl h SER 281 Ca 0.15 0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 61.09 3kxl h SER 281 Cb 0.21 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 3kxl h SER 281 CO -0.01 -0.14 -0.22 -0.26 -1.14 0.00 0.00 176.83 175.06 3kxl h PHE 282 N -0.08 0.56 -0.19 3.45 0.04 -1.38 -1.38 116.94 117.96 3kxl h PHE 282 Ca 0.11 -0.11 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3kxl h PHE 282 Cb 0.25 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 3kxl h PHE 282 CO -0.26 0.69 0.11 1.49 -0.60 0.00 0.00 178.31 179.74 3kxl h GLU 283 N 0.45 0.26 -0.48 1.51 4.57 -0.45 -0.51 114.58 119.93 3kxl h GLU 283 Ca 0.07 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 3kxl h GLU 283 Cb 0.64 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 3kxl h GLU 283 CO 0.05 0.25 0.27 0.82 -1.18 0.00 0.00 179.01 179.21 3kxl h ILE 284 N 0.21 1.16 0.00 2.32 2.04 -0.53 -0.88 117.51 121.83 3kxl h ILE 284 Ca 0.07 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3kxl h ILE 284 Cb 0.06 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3kxl h ILE 284 CO -0.01 0.17 -0.07 -0.07 0.00 0.00 0.00 178.15 178.17 3kxl h LEU 285 N 0.64 0.00 -0.13 1.44 3.38 -1.07 -1.19 115.31 118.38 3kxl h LEU 285 Ca 0.17 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.90 3kxl h LEU 285 Cb 0.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.79 3kxl h LEU 285 CO -0.03 0.07 -0.91 -0.09 0.09 0.00 0.00 178.44 177.57 3kxl h ARG 286 N 0.00 0.66 -0.46 1.13 2.43 -0.15 -0.93 114.38 117.07 3kxl h ARG 286 Ca -0.00 -0.63 -0.12 0.00 -0.81 0.00 0.00 59.98 58.42 3kxl h ARG 286 Cb 0.14 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3kxl h ARG 286 CO 0.01 1.23 -0.19 0.93 -1.51 0.00 0.00 179.97 180.44 3kxl h GLU 287 N 0.41 0.90 0.00 0.20 5.08 -0.11 -2.59 114.58 118.47 3kxl h GLU 287 Ca -0.09 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3kxl h GLU 287 Cb 1.54 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.75 3kxl h GLU 287 CO 0.18 1.01 0.00 0.44 -1.00 0.00 0.00 179.01 179.64 3kxl n ILE 288 N -4.12 0.10 -1.26 3.13 -5.35 -0.56 -4.86 119.36 106.44 3kxl n ILE 288 Ca 0.01 0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 3kxl n ILE 288 Cb 0.43 -0.65 0.00 0.00 -1.74 0.00 0.00 39.64 37.68 3kxl n ILE 288 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kxl n GLY 289 N 0.54 1.03 3.69 3.28 0.00 -0.98 -4.77 105.19 107.97 3kxl n GLY 289 Ca 0.15 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 3kxl n GLY 289 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kxl s VAL 290 N -2.19 5.23 -0.20 1.61 1.01 -0.36 -4.92 120.40 120.59 3kxl s VAL 290 Ca 0.00 0.68 -0.27 0.00 0.00 0.00 0.00 61.98 62.38 3kxl s VAL 290 Cb 0.00 -3.71 0.09 0.00 0.00 0.00 0.00 36.38 32.76 3kxl s VAL 290 CO 0.00 0.29 0.80 -0.94 0.00 0.00 0.00 175.10 175.25 3kxl s SER 291 N 0.88 -0.62 0.00 3.32 1.04 -1.26 -4.51 113.70 112.55 3kxl s SER 291 Ca 0.19 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.62 3kxl s SER 291 Cb -0.14 0.95 0.00 0.00 0.10 0.00 0.00 66.02 66.93 3kxl s SER 291 CO 0.07 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.56 3kxl n GLY 292 N 1.85 2.93 3.69 7.32 0.00 -1.26 -4.99 105.19 114.74 3kxl n GLY 292 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 3kxl n GLY 292 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kxl s LYS 293 N -0.07 4.39 0.10 1.61 3.01 -1.26 -4.65 119.74 122.87 3kxl s LYS 293 Ca 0.00 1.65 -0.31 0.00 -1.01 0.00 0.00 55.97 56.30 3kxl s LYS 293 Cb 0.00 -3.50 -0.10 0.00 -1.01 0.00 0.00 37.83 33.22 3kxl s LYS 293 CO 0.00 -0.36 1.85 -2.14 0.51 0.00 0.00 175.35 175.21 3kxl s PRO 294 N 1.86 4.14 -0.21 -1.68 0.02 -1.26 -4.37 135.00 133.51 3kxl s PRO 294 Ca 0.56 2.58 -0.04 0.00 0.02 0.00 0.00 61.00 64.12 3kxl s PRO 294 Cb -0.25 -3.73 -0.01 0.00 0.02 0.00 0.00 34.50 30.53 3kxl s PRO 294 CO 0.24 -0.86 -0.04 0.42 -0.33 0.00 0.00 177.00 176.43 3kxl s ILE 295 N 3.14 3.53 -0.51 2.83 -1.09 -1.01 -2.04 121.20 126.06 3kxl s ILE 295 Ca 0.82 -0.45 -0.15 0.00 -2.23 0.00 0.00 60.65 58.65 3kxl s ILE 295 Cb -0.45 -2.59 0.11 0.00 -1.58 0.00 0.00 42.46 37.95 3kxl s ILE 295 CO 0.37 0.43 0.44 -0.22 -1.23 0.00 0.00 174.94 174.74 3kxl s LEU 296 N 1.22 5.94 0.11 2.97 2.96 -0.18 -1.35 118.68 130.36 3kxl s LEU 296 Ca 0.03 -1.69 -0.30 0.00 -0.22 0.00 0.00 54.13 51.95 3kxl s LEU 296 Cb -0.14 -2.17 -0.06 0.00 0.50 0.00 0.00 46.19 44.32 3kxl s LEU 296 CO -0.01 -0.77 1.06 -0.69 -1.32 0.00 0.00 176.35 174.62 3kxl s VAL 297 N 1.57 4.22 -0.20 1.68 1.01 -0.50 -2.30 120.40 125.88 3kxl s VAL 297 Ca 0.04 1.79 0.00 0.00 0.00 0.00 0.00 61.98 63.81 3kxl s VAL 297 Cb -0.28 -4.14 0.05 0.00 0.00 0.00 0.00 36.38 32.01 3kxl s VAL 297 CO 0.03 0.25 -0.07 0.42 0.00 0.00 0.00 175.10 175.72 3kxl s THR 298 N 0.22 1.46 -0.79 3.92 -4.23 -0.16 -1.94 115.64 114.12 3kxl s THR 298 Ca 0.51 -0.96 -0.26 0.00 -1.18 0.00 0.00 61.69 59.79 3kxl s THR 298 Cb -0.26 -1.62 0.02 0.00 1.34 0.00 0.00 72.50 71.98 3kxl s THR 298 CO 0.31 0.08 1.42 -0.22 -0.54 0.00 0.00 174.62 175.67 3kxl s LEU 299 N 1.46 3.25 0.60 4.79 2.96 -0.58 -1.35 118.68 129.81 3kxl s LEU 299 Ca -0.02 -0.56 -0.06 0.00 -0.22 0.00 0.00 54.13 53.27 3kxl s LEU 299 Cb -0.17 -2.56 0.01 0.00 0.50 0.00 0.00 46.19 43.98 3kxl s LEU 299 CO -0.08 -1.88 0.90 0.21 -1.32 0.00 0.00 176.35 174.19 3kxl s ASN 300 N 4.74 5.50 -0.62 3.68 2.47 0.82 -1.53 114.94 130.00 3kxl s ASN 300 Ca 0.43 0.65 -0.04 0.00 0.42 0.00 0.00 52.86 54.33 3kxl s ASN 300 Cb -0.07 -1.61 0.00 0.00 -1.45 0.00 0.00 41.25 38.12 3kxl s ASN 300 CO 0.10 -1.12 0.54 0.29 -3.72 0.00 0.00 177.10 173.19 3kxl n LYS 301 N -2.60 -3.61 0.12 0.43 5.02 -1.20 -1.55 118.16 114.76 3kxl n LYS 301 Ca 0.05 0.39 -0.00 0.00 -2.02 0.00 0.00 58.31 56.72 3kxl n LYS 301 Cb 0.58 -4.07 -0.01 0.00 -0.02 0.00 0.00 35.03 31.51 3kxl n LYS 301 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 3kxl h ILE 302 N -1.20 1.10 0.00 -0.18 3.07 -1.78 -3.15 117.51 115.37 3kxl h ILE 302 Ca -0.26 -2.55 0.00 0.00 1.55 0.00 0.00 64.86 63.60 3kxl h ILE 302 Cb 1.17 2.54 0.00 0.00 -0.27 0.00 0.00 36.82 40.26 3kxl h ILE 302 CO 0.25 0.63 0.00 -2.24 -1.05 0.00 0.00 178.15 175.74 3kxl h ASP 303 N 0.00 0.00 -0.02 2.16 2.03 -1.93 -2.74 116.42 115.93 3kxl h ASP 303 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 3kxl h ASP 303 Cb 1.48 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.98 3kxl h ASP 303 CO 0.08 0.00 -0.28 0.29 -1.03 0.00 0.00 179.24 178.30 3kxl n LYS 304 N -2.38 1.64 0.26 4.15 5.02 -1.19 -4.47 118.16 121.19 3kxl n LYS 304 Ca 0.03 -1.34 -0.16 0.00 -2.02 0.00 0.00 58.31 54.82 3kxl n LYS 304 Cb 0.31 -1.46 -0.08 0.00 -0.02 0.00 0.00 35.03 33.78 3kxl n LYS 304 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3kxl h ILE 305 N 3.25 0.49 -6.05 -0.18 1.08 -1.50 -3.48 117.51 111.13 3kxl h ILE 305 Ca 0.00 0.00 -0.40 0.00 -0.39 0.00 0.00 64.86 64.07 3kxl h ILE 305 Cb 0.83 0.49 0.08 0.00 -3.07 0.00 0.00 36.82 35.15 3kxl h ILE 305 CO 0.00 0.00 -0.87 0.59 -0.69 0.00 0.00 178.15 177.18 3kxl n ASN 306 N -5.38 -3.38 0.00 1.72 3.02 -1.26 -4.81 115.26 105.16 3kxl n ASN 306 Ca -0.11 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 3kxl n ASN 306 Cb 0.29 -3.97 0.00 0.00 -0.61 0.00 0.00 39.78 35.48 3kxl n ASN 306 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kxl n GLY 307 N -1.57 -0.21 3.38 7.41 0.00 -1.26 -5.13 105.19 107.81 3kxl n GLY 307 Ca -0.19 0.61 -0.36 0.00 0.00 0.00 0.00 46.02 46.08 3kxl n GLY 307 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kxl s ASP 308 N -4.00 4.72 -0.17 1.61 3.68 -1.26 -4.98 116.67 116.27 3kxl s ASP 308 Ca 0.00 -0.29 -0.11 0.00 2.13 0.00 0.00 52.55 54.27 3kxl s ASP 308 Cb 0.00 -1.83 -0.22 0.00 -1.45 0.00 0.00 42.92 39.42 3kxl s ASP 308 CO 0.00 -0.02 0.23 -0.11 0.13 0.00 0.00 175.17 175.39 3kxl n LEU 309 N 4.83 2.37 -0.06 -1.34 7.94 -1.26 -4.21 117.00 125.27 3kxl n LEU 309 Ca -0.17 0.26 0.08 0.00 -1.11 0.00 0.00 56.01 55.07 3kxl n LEU 309 Cb 0.51 -1.04 0.46 0.00 0.53 0.00 0.00 43.42 43.88 3kxl n LEU 309 CO 0.30 0.66 1.18 1.88 -1.11 0.00 0.00 177.39 180.30 3kxl h TYR 310 N -0.35 0.50 -0.61 1.96 0.05 -1.97 0.34 116.97 116.88 3kxl h TYR 310 Ca -0.43 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.36 3kxl h TYR 310 Cb 1.76 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 39.31 3kxl h TYR 310 CO 0.07 0.27 0.36 -0.22 -1.05 0.00 0.00 178.16 177.59 3kxl h LYS 311 N 0.50 0.84 0.14 4.88 3.11 -2.00 -0.63 116.57 123.41 3kxl h LYS 311 Ca 0.23 -0.09 -0.33 0.00 -2.81 0.00 0.00 60.65 57.66 3kxl h LYS 311 Cb 0.28 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.34 3kxl h LYS 311 CO -0.06 0.62 -1.69 0.87 -2.81 0.00 0.00 179.45 176.38 3kxl h LYS 312 N 0.83 0.29 0.14 1.90 1.57 -1.55 -3.23 116.57 116.52 3kxl h LYS 312 Ca 0.22 -0.49 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 3kxl h LYS 312 Cb 0.01 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3kxl h LYS 312 CO -0.04 1.16 -0.07 1.25 -0.57 0.00 0.00 179.45 181.18 3kxl h LEU 313 N 0.08 -0.17 -0.79 2.94 5.85 -0.30 -0.37 115.31 122.55 3kxl h LEU 313 Ca -0.31 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.48 3kxl h LEU 313 Cb 2.05 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 43.07 3kxl h LEU 313 CO 0.15 -0.12 0.47 -0.78 -0.34 0.00 0.00 178.44 177.82 3kxl h ASP 314 N -0.20 0.73 -0.01 1.25 -0.00 -1.27 -0.05 116.42 116.87 3kxl h ASP 314 Ca -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 57.03 57.04 3kxl h ASP 314 Cb 0.15 -0.13 -0.00 0.00 -0.00 0.00 0.00 39.33 39.35 3kxl h ASP 314 CO 0.03 0.47 -0.01 0.25 -0.00 0.00 0.00 179.24 179.97 3kxl h LEU 315 N 0.86 -0.03 -0.13 2.28 6.46 -1.49 0.12 115.31 123.38 3kxl h LEU 315 Ca 0.35 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 58.13 3kxl h LEU 315 Cb 0.18 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 3kxl h LEU 315 CO -0.18 -0.02 0.05 0.58 -0.62 0.00 0.00 178.44 178.25 3kxl h VAL 316 N -0.02 0.97 -0.40 1.05 2.07 -0.53 0.50 116.25 119.89 3kxl h VAL 316 Ca 0.01 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3kxl h VAL 316 Cb 0.03 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3kxl h VAL 316 CO -0.02 0.02 0.16 -0.08 0.02 0.00 0.00 177.57 177.67 3kxl h GLU 317 N 0.11 0.60 0.00 1.57 4.81 -0.87 0.34 114.58 121.15 3kxl h GLU 317 Ca 0.06 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 3kxl h GLU 317 Cb 0.03 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3kxl h GLU 317 CO -0.06 0.57 -0.42 -0.22 -0.73 0.00 0.00 179.01 178.16 3kxl h LYS 318 N 0.51 0.00 0.11 1.92 3.64 -0.61 -3.17 116.57 118.97 3kxl h LYS 318 Ca 0.13 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.19 3kxl h LYS 318 Cb 0.20 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3kxl h LYS 318 CO -0.01 0.42 -1.73 1.25 -2.27 0.00 0.00 179.45 177.11 3kxl h LEU 319 N 0.00 0.37 -0.90 5.20 5.85 -0.73 -3.35 115.31 121.76 3kxl h LEU 319 Ca -0.00 -0.64 -0.01 0.00 0.84 0.00 0.00 57.88 58.07 3kxl h LEU 319 Cb 0.96 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 3kxl h LEU 319 CO 0.05 1.55 0.52 0.28 -0.34 0.00 0.00 178.44 180.51 3kxl h SER 320 N 0.06 1.10 0.50 1.25 0.02 -0.94 -1.39 113.55 114.16 3kxl h SER 320 Ca -0.32 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.51 3kxl h SER 320 Cb 2.03 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 64.29 3kxl h SER 320 CO 0.13 0.86 -0.20 0.07 -1.14 0.00 0.00 176.83 176.55 3kxl h LYS 321 N 1.25 0.00 0.00 3.45 2.10 -1.71 -1.48 116.57 120.18 3kxl h LYS 321 Ca 0.32 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.89 3kxl h LYS 321 Cb -0.02 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.30 3kxl h LYS 321 CO -0.06 0.20 -0.86 0.93 -2.00 0.00 0.00 179.45 177.67 3kxl h GLU 322 N 0.00 0.00 0.07 0.07 4.39 -1.48 -3.37 114.58 114.26 3kxl h GLU 322 Ca -0.00 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.36 3kxl h GLU 322 Cb 0.51 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 3kxl h GLU 322 CO 0.03 0.21 -1.88 1.28 -1.16 0.00 0.00 179.01 177.49 3kxl n LEU 323 N -2.94 1.86 -3.91 1.33 4.77 -0.60 -5.00 117.00 112.51 3kxl n LEU 323 Ca -0.02 0.29 -0.10 0.00 -0.03 0.00 0.00 56.01 56.16 3kxl n LEU 323 Cb 0.68 -0.55 -0.09 0.00 -2.33 0.00 0.00 43.42 41.14 3kxl n LEU 323 CO 0.40 0.65 -0.18 -0.47 -1.33 0.00 0.00 177.39 176.46 3kxl s TYR 324 N -2.57 0.17 -0.11 -1.77 5.04 -0.60 -5.04 117.35 112.47 3kxl s TYR 324 Ca -0.15 -0.46 -0.09 0.00 -2.44 0.00 0.00 57.07 53.92 3kxl s TYR 324 Cb 0.07 -0.11 0.03 0.00 0.35 0.00 0.00 41.96 42.30 3kxl s TYR 324 CO 0.79 -0.39 0.28 0.45 -1.34 0.00 0.00 175.55 175.34 3kxl s SER 325 N -2.19 -0.29 0.23 4.32 0.15 -1.26 -4.32 113.70 110.34 3kxl s SER 325 Ca -0.04 0.57 -0.14 0.00 0.70 0.00 0.00 55.95 57.03 3kxl s SER 325 Cb -0.00 0.56 -0.08 0.00 -1.71 0.00 0.00 66.02 64.79 3kxl s SER 325 CO -0.05 -0.10 0.64 -2.84 1.20 0.00 0.00 173.24 172.08 3kxl s PRO 326 N 0.23 3.99 -0.36 5.44 0.02 -1.26 -4.13 135.00 138.93 3kxl s PRO 326 Ca -0.01 0.55 -0.08 0.00 0.02 0.00 0.00 61.00 61.48 3kxl s PRO 326 Cb -0.03 -2.70 0.04 0.00 0.02 0.00 0.00 34.50 31.84 3kxl s PRO 326 CO -0.00 0.32 0.16 0.42 -0.33 0.00 0.00 177.00 177.57 3kxl s ILE 327 N -1.73 4.12 0.09 2.83 -1.09 -1.26 -2.39 121.20 121.78 3kxl s ILE 327 Ca 0.46 -1.06 -0.27 0.00 -2.23 0.00 0.00 60.65 57.55 3kxl s ILE 327 Cb -0.13 -3.34 -0.14 0.00 -1.58 0.00 0.00 42.46 37.27 3kxl s ILE 327 CO 0.19 -0.24 1.68 0.15 -1.23 0.00 0.00 174.94 175.50 3kxl h PHE 328 N 8.32 -0.39 -2.19 3.97 3.57 -1.54 -3.47 116.94 125.20 3kxl h PHE 328 Ca -0.24 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.46 3kxl h PHE 328 Cb 1.09 0.14 -0.09 0.00 2.79 0.00 0.00 35.95 39.88 3kxl h PHE 328 CO 0.59 -0.23 0.54 0.34 -2.23 0.00 0.00 178.31 177.31 3kxl s ASP 329 N -4.88 -0.17 -0.29 0.41 2.15 -1.25 -5.03 116.67 107.61 3kxl s ASP 329 Ca -0.15 -0.33 -0.03 0.00 0.43 0.00 0.00 52.55 52.47 3kxl s ASP 329 Cb 0.06 0.43 0.10 0.00 -0.30 0.00 0.00 42.92 43.20 3kxl s ASP 329 CO 0.65 -0.78 0.12 -0.69 -0.17 0.00 0.00 175.17 174.30 3kxl s VAL 330 N -3.13 0.16 0.09 1.11 1.01 -1.26 -1.41 120.40 116.97 3kxl s VAL 330 Ca 0.12 -0.87 0.10 0.00 0.00 0.00 0.00 61.98 61.33 3kxl s VAL 330 Cb -0.00 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 3kxl s VAL 330 CO 0.00 -0.68 -0.27 0.27 0.00 0.00 0.00 175.10 174.43 3kxl s ILE 331 N 1.99 2.19 0.18 2.22 -4.36 -0.82 -4.96 121.20 117.63 3kxl s ILE 331 Ca 0.09 -1.57 -0.28 0.00 -0.26 0.00 0.00 60.65 58.63 3kxl s ILE 331 Cb -0.16 -1.91 -0.08 0.00 1.25 0.00 0.00 42.46 41.56 3kxl s ILE 331 CO -0.32 0.23 0.86 -2.84 0.24 0.00 0.00 174.94 173.11 3kxl s PRO 332 N -1.64 4.69 0.21 0.37 0.02 -1.26 -1.53 135.00 135.85 3kxl s PRO 332 Ca 0.13 1.31 -0.04 0.00 0.02 0.00 0.00 61.00 62.41 3kxl s PRO 332 Cb -0.10 -3.29 -0.03 0.00 0.02 0.00 0.00 34.50 31.10 3kxl s PRO 332 CO 0.04 0.48 0.22 0.96 -0.33 0.00 0.00 177.00 178.38 3kxl s ILE 333 N -0.92 0.00 -0.39 2.83 -4.36 -0.58 -4.79 121.20 113.00 3kxl s ILE 333 Ca 0.39 -1.83 0.03 0.00 -0.26 0.00 0.00 60.65 58.98 3kxl s ILE 333 Cb -0.24 -2.41 0.16 0.00 1.25 0.00 0.00 42.46 41.22 3kxl s ILE 333 CO 0.29 -0.01 0.36 -0.55 0.24 0.00 0.00 174.94 175.27 3kxl s SER 334 N -3.12 1.41 0.28 4.36 0.15 -1.05 -3.28 113.70 112.45 3kxl s SER 334 Ca 0.34 -2.08 0.02 0.00 0.70 0.00 0.00 55.95 54.93 3kxl s SER 334 Cb 0.05 0.23 0.66 0.00 -1.71 0.00 0.00 66.02 65.25 3kxl s SER 334 CO 0.11 -0.23 1.71 0.00 1.20 0.00 0.00 173.24 176.02 3kxl h ALA 335 N 6.54 1.34 0.34 5.45 0.00 -1.91 0.36 119.26 131.38 3kxl h ALA 335 Ca 0.11 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3kxl h ALA 335 Cb 1.01 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3kxl h ALA 335 CO 0.23 -0.30 -0.16 -0.07 0.00 0.00 0.00 179.25 178.95 3kxl h LEU 336 N 0.42 -0.39 0.00 0.00 4.07 -1.95 -2.92 115.31 114.54 3kxl h LEU 336 Ca 0.52 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.32 3kxl h LEU 336 Cb 0.94 0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.78 3kxl h LEU 336 CO -0.50 0.00 0.00 0.29 -1.08 0.00 0.00 178.44 177.16 3kxl n LYS 337 N -5.14 0.75 -3.64 1.13 4.76 -0.96 -4.86 118.16 110.20 3kxl n LYS 337 Ca -0.09 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.07 3kxl n LYS 337 Cb 0.27 -1.43 -0.01 0.00 -1.84 0.00 0.00 35.03 32.02 3kxl n LYS 337 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3kxl n ARG 338 N -0.93 -3.61 -2.83 1.97 1.74 0.12 -4.92 116.66 108.19 3kxl n ARG 338 Ca 0.16 0.46 -0.41 0.00 -0.77 0.00 0.00 57.85 57.30 3kxl n ARG 338 Cb 0.07 -5.20 -0.05 0.00 -1.02 0.00 0.00 32.46 26.26 3kxl n ARG 338 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3kxl s THR 339 N -3.06 4.56 0.00 0.55 2.01 -0.84 -3.75 115.64 115.11 3kxl s THR 339 Ca 0.52 1.90 0.00 0.00 0.31 0.00 0.00 61.69 64.41 3kxl s THR 339 Cb -0.27 -4.24 0.00 0.00 0.01 0.00 0.00 72.50 68.00 3kxl s THR 339 CO 0.64 0.35 0.00 0.59 -0.69 0.00 0.00 174.62 175.51 3kxl n ASN 340 N 2.68 -3.05 0.02 3.53 3.02 -1.26 -2.54 115.26 117.66 3kxl n ASN 340 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3kxl n ASN 340 Cb 0.49 -2.37 0.30 0.00 -0.61 0.00 0.00 39.78 37.59 3kxl n ASN 340 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3kxl h LEU 341 N 0.00 0.45 -0.63 3.41 3.38 -1.92 -0.47 115.31 119.54 3kxl h LEU 341 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kxl h LEU 341 Cb 0.43 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3kxl h LEU 341 CO 0.00 0.56 0.41 -0.08 0.09 0.00 0.00 178.44 179.42 3kxl h GLU 342 N 0.45 0.83 -0.69 1.13 4.57 -1.88 -0.71 114.58 118.29 3kxl h GLU 342 Ca 0.09 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 3kxl h GLU 342 Cb 0.38 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 3kxl h GLU 342 CO 0.02 0.56 0.28 1.25 -1.18 0.00 0.00 179.01 179.94 3kxl h LEU 343 N 0.85 0.92 -0.42 1.64 5.85 -1.78 -2.92 115.31 119.45 3kxl h LEU 343 Ca 0.23 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3kxl h LEU 343 Cb -0.09 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 3kxl h LEU 343 CO -0.05 0.82 0.23 0.25 -0.34 0.00 0.00 178.44 179.35 3kxl h LEU 344 N 0.99 0.53 -0.94 2.25 5.85 -0.09 -2.16 115.31 121.75 3kxl h LEU 344 Ca 0.23 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.90 3kxl h LEU 344 Cb 0.18 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 3kxl h LEU 344 CO -0.02 0.46 0.61 0.03 -0.34 0.00 0.00 178.44 179.18 3kxl h ARG 345 N 0.55 1.13 -0.47 1.25 3.08 -1.04 -0.28 114.38 118.61 3kxl h ARG 345 Ca 0.15 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.16 3kxl h ARG 345 Cb 0.05 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 3kxl h ARG 345 CO -0.02 0.75 0.27 -0.44 -1.07 0.00 0.00 179.97 179.45 3kxl h ASP 346 N 1.17 0.42 -0.17 7.04 3.32 -1.27 -0.56 116.42 126.36 3kxl h ASP 346 Ca 0.38 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.37 3kxl h ASP 346 Cb 0.02 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3kxl h ASP 346 CO -0.13 0.30 -0.08 0.11 -1.72 0.00 0.00 179.24 177.73 3kxl h LYS 347 N 0.53 0.51 -0.37 3.56 1.79 -0.73 -1.59 116.57 120.27 3kxl h LYS 347 Ca 0.19 -0.13 -0.04 0.00 -2.18 0.00 0.00 60.65 58.49 3kxl h LYS 347 Cb 0.04 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 3kxl h LYS 347 CO -0.10 0.59 0.06 0.82 -1.08 0.00 0.00 179.45 179.75 3kxl h ILE 348 N 0.48 1.24 -0.18 1.86 1.08 -0.41 -1.25 117.51 120.32 3kxl h ILE 348 Ca 0.09 -0.84 0.00 0.00 -0.39 0.00 0.00 64.86 63.73 3kxl h ILE 348 Cb 0.43 1.07 -0.01 0.00 -3.07 0.00 0.00 36.82 35.24 3kxl h ILE 348 CO 0.02 0.28 0.11 0.22 -0.69 0.00 0.00 178.15 178.10 3kxl h TYR 349 N 0.46 0.23 -0.67 1.37 3.20 -0.78 0.64 116.97 121.41 3kxl h TYR 349 Ca 0.11 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.99 3kxl h TYR 349 Cb 0.35 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 3kxl h TYR 349 CO 0.02 0.17 0.45 1.96 -1.64 0.00 0.00 178.16 179.12 3kxl h GLN 350 N 0.23 0.88 -0.18 1.82 4.20 -1.23 0.14 115.11 120.97 3kxl h GLN 350 Ca 0.07 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 3kxl h GLN 350 Cb 0.00 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 3kxl h GLN 350 CO -0.01 0.58 -0.05 1.25 -0.67 0.00 0.00 178.83 179.93 3kxl h LEU 351 N 0.91 0.36 -0.96 1.46 5.85 -0.72 -1.69 115.31 120.52 3kxl h LEU 351 Ca 0.25 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 3kxl h LEU 351 Cb -0.09 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 3kxl h LEU 351 CO -0.06 0.65 0.39 0.00 -0.34 0.00 0.00 178.44 179.08 3kxl h ALA 352 N 0.72 1.19 -0.82 1.25 0.00 -0.35 -0.86 119.26 120.39 3kxl h ALA 352 Ca 0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3kxl h ALA 352 Cb 0.49 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3kxl h ALA 352 CO 0.02 0.62 0.40 1.15 0.00 0.00 0.00 179.25 181.44 3kxl h THR 353 N 1.13 1.25 -0.34 0.00 2.02 -0.65 -2.88 112.91 113.44 3kxl h THR 353 Ca 0.27 -0.69 -0.08 0.00 0.77 0.00 0.00 66.41 66.69 3kxl h THR 353 Cb 0.10 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 3kxl h THR 353 CO -0.04 0.30 -0.09 -0.61 0.37 0.00 0.00 175.52 175.45 3kxl h GLN 354 N 1.16 0.65 -0.24 6.66 4.15 -0.62 -3.07 115.11 123.80 3kxl h GLN 354 Ca 0.28 -0.26 0.02 0.00 0.77 0.00 0.00 58.65 59.47 3kxl h GLN 354 Cb 0.10 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 3kxl h GLN 354 CO -0.04 0.83 0.16 -0.07 -1.93 0.00 0.00 178.83 177.79 3kxl h LEU 355 N 0.44 0.19 -0.04 -2.39 3.38 -0.98 -1.75 115.31 114.16 3kxl h LEU 355 Ca 0.08 -0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.80 3kxl h LEU 355 Cb 0.59 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.31 3kxl h LEU 355 CO 0.04 0.14 -1.08 0.77 0.09 0.00 0.00 178.44 178.39 3kxl h SER 356 N 0.23 0.55 0.77 -0.43 4.64 -1.46 -3.20 113.55 114.64 3kxl h SER 356 Ca 0.10 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3kxl h SER 356 Cb 0.12 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3kxl h SER 356 CO -0.02 1.32 -0.09 0.18 -0.87 0.00 0.00 176.83 177.35 3kxl n LEU 357 N -3.69 0.14 -0.16 5.97 4.77 -0.91 -4.00 117.00 119.11 3kxl n LEU 357 Ca -0.08 0.32 0.08 0.00 -0.03 0.00 0.00 56.01 56.30 3kxl n LEU 357 Cb 0.91 -0.38 0.39 0.00 -2.33 0.00 0.00 43.42 42.01 3kxl n LEU 357 CO 0.53 0.03 1.21 -0.08 -1.33 0.00 0.00 177.39 177.75 3kxl h GLU 358 N 0.07 0.64 0.00 3.23 4.81 -1.33 -2.92 114.58 119.09 3kxl h GLU 358 Ca 0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3kxl h GLU 358 Cb 0.44 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3kxl h GLU 358 CO 0.00 0.43 -0.20 0.72 -0.73 0.00 0.00 179.01 179.23 3kxl n HIS 359 N -4.48 0.00 -3.46 0.92 8.25 -1.26 -5.06 115.22 110.13 3kxl n HIS 359 Ca 0.11 -0.80 -0.32 0.00 -0.26 0.00 0.00 57.72 56.45 3kxl n HIS 359 Cb 0.28 -0.14 -0.05 0.00 1.12 0.00 0.00 29.99 31.20 3kxl n HIS 359 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3kxl s HIS 360 N -2.15 3.44 0.00 4.41 5.04 -1.11 -5.18 115.29 119.74 3kxl s HIS 360 Ca 0.25 0.82 0.00 0.00 -1.54 0.00 0.00 55.06 54.59 3kxl s HIS 360 Cb 0.23 -2.21 0.00 0.00 0.04 0.00 0.00 32.58 30.63 3kxl s HIS 360 CO 0.01 0.31 0.00 1.58 -2.34 0.00 0.00 174.74 174.29