#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxk s THR 3 N 0.00 2.73 -0.04 3.15 -4.23 -1.26 -0.71 115.64 115.28 3kxk s THR 3 Ca 0.00 -0.27 -0.26 0.00 -1.18 0.00 0.00 61.69 59.98 3kxk s THR 3 Cb 0.00 -3.13 0.05 0.00 1.34 0.00 0.00 72.50 70.77 3kxk s THR 3 CO 0.00 -0.13 0.56 0.00 -0.54 0.00 0.00 174.62 174.51 3kxk s ALA 4 N -3.09 -1.45 -0.25 3.99 0.00 0.03 -2.95 121.76 118.05 3kxk s ALA 4 Ca 0.58 1.00 -0.03 0.00 0.00 0.00 0.00 51.96 53.51 3kxk s ALA 4 Cb -0.11 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.04 3kxk s ALA 4 CO 0.44 -0.33 -0.03 0.00 0.00 0.00 0.00 175.76 175.83 3kxk s ALA 5 N -1.22 2.80 -0.13 0.00 0.00 -0.01 -1.70 121.76 121.50 3kxk s ALA 5 Ca -0.12 -1.36 -0.05 0.00 0.00 0.00 0.00 51.96 50.43 3kxk s ALA 5 Cb -0.02 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 3kxk s ALA 5 CO 0.08 -0.71 0.07 -1.17 0.00 0.00 0.00 175.76 174.03 3kxk s LEU 6 N 1.41 3.92 -0.35 0.00 2.96 0.02 -0.06 118.68 126.58 3kxk s LEU 6 Ca 0.03 0.23 0.04 0.00 -0.22 0.00 0.00 54.13 54.20 3kxk s LEU 6 Cb -0.16 -1.95 0.10 0.00 0.50 0.00 0.00 46.19 44.69 3kxk s LEU 6 CO -0.03 0.32 0.07 -0.36 -1.32 0.00 0.00 176.35 175.03 3kxk s PHE 7 N -0.51 3.68 0.01 5.38 0.08 -0.34 -0.17 117.98 126.11 3kxk s PHE 7 Ca 0.10 -3.00 0.00 0.00 0.12 0.00 0.00 56.93 54.16 3kxk s PHE 7 Cb -0.12 -2.90 -0.01 0.00 -0.57 0.00 0.00 43.02 39.42 3kxk s PHE 7 CO 0.02 -0.93 -0.03 0.54 -0.10 0.00 0.00 175.22 174.72 3kxk s VAL 8 N 0.81 0.15 0.68 -0.44 0.11 -0.70 -1.99 120.40 119.01 3kxk s VAL 8 Ca 0.11 -0.49 -0.16 0.00 -2.93 0.00 0.00 61.98 58.52 3kxk s VAL 8 Cb -0.20 -0.21 0.01 0.00 -1.53 0.00 0.00 36.38 34.45 3kxk s VAL 8 CO -0.08 -0.22 1.18 -0.94 -3.33 0.00 0.00 175.10 171.72 3kxk s SER 9 N -0.74 4.66 0.40 3.54 1.04 -1.26 -4.42 113.70 116.92 3kxk s SER 9 Ca -0.07 2.28 0.16 0.00 0.48 0.00 0.00 55.95 58.80 3kxk s SER 9 Cb -0.05 -2.58 1.04 0.00 0.10 0.00 0.00 66.02 64.53 3kxk s SER 9 CO -0.00 -1.95 1.83 0.11 0.98 0.00 0.00 173.24 174.21 3kxk h LYS 10 N 0.08 0.44 -0.03 4.02 1.57 -1.98 0.34 116.57 121.00 3kxk h LYS 10 Ca -0.48 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.19 3kxk h LYS 10 Cb 1.28 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.50 3kxk h LYS 10 CO 0.52 0.29 -0.31 1.05 -0.57 0.00 0.00 179.45 180.43 3kxk h GLU 11 N 0.45 0.27 -0.06 3.15 4.11 -2.05 -3.26 114.58 117.19 3kxk h GLU 11 Ca 0.50 -0.25 0.00 0.00 0.07 0.00 0.00 59.36 59.68 3kxk h GLU 11 Cb 1.19 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3kxk h GLU 11 CO -0.21 0.92 0.00 1.19 0.07 0.00 0.00 179.01 180.98 3kxk n PHE 12 N -4.45 0.06 -0.28 2.06 3.72 -0.89 -4.14 117.46 113.55 3kxk n PHE 12 Ca -0.09 -0.03 -0.02 0.00 -0.05 0.00 0.00 57.45 57.25 3kxk n PHE 12 Cb 0.51 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.20 3kxk n PHE 12 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3kxk h GLU 13 N 2.11 1.15 -0.44 -1.08 4.81 -0.38 0.77 114.58 121.52 3kxk h GLU 13 Ca 0.00 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3kxk h GLU 13 Cb 0.45 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3kxk h GLU 13 CO 0.00 0.83 0.28 1.49 -0.73 0.00 0.00 179.01 180.87 3kxk h GLU 14 N 1.16 0.59 -0.09 1.92 4.81 -1.78 -1.74 114.58 119.44 3kxk h GLU 14 Ca 0.30 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 3kxk h GLU 14 Cb 0.00 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 3kxk h GLU 14 CO -0.05 0.41 0.00 1.49 -0.73 0.00 0.00 179.01 180.13 3kxk h GLU 15 N 0.59 0.16 0.21 1.92 4.57 -1.67 -3.19 114.58 117.17 3kxk h GLU 15 Ca 0.16 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3kxk h GLU 15 Cb -0.04 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 3kxk h GLU 15 CO -0.03 0.42 -0.15 0.00 -1.18 0.00 0.00 179.01 178.07 3kxk h ALA 16 N 0.73 -0.34 -0.73 2.92 0.00 -0.76 -2.16 119.26 118.93 3kxk h ALA 16 Ca 0.02 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.01 3kxk h ALA 16 Cb 0.35 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 3kxk h ALA 16 CO 0.00 -0.70 0.27 0.82 0.00 0.00 0.00 179.25 179.64 3kxk h ILE 17 N -0.36 0.65 -0.27 0.00 2.04 -1.41 0.19 117.51 118.36 3kxk h ILE 17 Ca -0.01 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 3kxk h ILE 17 Cb 0.31 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3kxk h ILE 17 CO 0.00 0.07 0.13 0.00 0.00 0.00 0.00 178.15 178.35 3kxk h ALA 18 N 1.54 0.35 -0.44 1.87 0.00 -1.49 -1.10 119.26 119.97 3kxk h ALA 18 Ca 0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3kxk h ALA 18 Cb 0.60 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3kxk h ALA 18 CO -0.41 -0.09 0.24 -0.07 0.00 0.00 0.00 179.25 178.93 3kxk h LEU 19 N 0.30 0.56 0.14 0.00 3.38 -0.59 0.01 115.31 119.11 3kxk h LEU 19 Ca 0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3kxk h LEU 19 Cb 0.13 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3kxk h LEU 19 CO -0.01 0.49 -0.07 0.58 0.09 0.00 0.00 178.44 179.52 3kxk h VAL 20 N 0.58 0.87 -0.86 1.22 2.07 -0.55 -1.80 116.25 117.79 3kxk h VAL 20 Ca 0.16 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 3kxk h VAL 20 Cb 0.06 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 3kxk h VAL 20 CO -0.02 0.01 0.50 -0.33 0.02 0.00 0.00 177.57 177.75 3kxk h GLU 21 N -0.22 1.17 0.00 1.57 5.08 -1.11 -1.69 114.58 119.38 3kxk h GLU 21 Ca -0.02 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3kxk h GLU 21 Cb 0.17 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3kxk h GLU 21 CO 0.03 0.83 -0.01 0.78 -1.00 0.00 0.00 179.01 179.64 3kxk h GLY 22 N 1.20 0.00 -2.81 -3.84 0.00 -0.72 -2.43 103.07 94.47 3kxk h GLY 22 Ca 0.31 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.53 3kxk h GLY 22 CO -0.05 0.00 0.14 0.00 0.00 0.00 0.00 176.54 176.63 3kxk n ALA 23 N -2.10 3.73 -1.77 3.60 0.00 -0.67 -4.86 120.51 118.44 3kxk n ALA 23 Ca -0.01 -1.40 -0.17 0.00 0.00 0.00 0.00 53.44 51.87 3kxk n ALA 23 Cb 0.24 -1.15 -0.05 0.00 0.00 0.00 0.00 19.45 18.49 3kxk n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kxk n ASN 24 N 0.08 -4.97 -4.79 0.00 3.02 -0.91 -5.00 115.26 102.69 3kxk n ASN 24 Ca 0.24 0.26 -0.35 0.00 -0.03 0.00 0.00 54.58 54.70 3kxk n ASN 24 Cb 0.97 -3.98 -0.07 0.00 -0.61 0.00 0.00 39.78 36.09 3kxk n ASN 24 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3kxk s TYR 25 N -2.69 3.37 -0.25 3.10 2.02 -0.99 -4.54 117.35 117.37 3kxk s TYR 25 Ca 0.00 0.33 -0.14 0.00 -0.37 0.00 0.00 57.07 56.88 3kxk s TYR 25 Cb 0.00 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.69 3kxk s TYR 25 CO 0.00 0.59 0.34 0.15 -1.57 0.00 0.00 175.55 175.06 3kxk s LYS 26 N -1.18 4.05 -1.00 -0.62 1.02 0.12 -3.79 119.74 118.34 3kxk s LYS 26 Ca 0.17 0.01 -0.23 0.00 0.02 0.00 0.00 55.97 55.93 3kxk s LYS 26 Cb -0.12 -3.62 0.00 0.00 -0.52 0.00 0.00 37.83 33.57 3kxk s LYS 26 CO 0.06 -0.19 1.70 0.08 -0.92 0.00 0.00 175.35 176.08 3kxk s VAL 27 N 1.79 3.72 -0.12 3.17 1.01 -1.26 -0.79 120.40 127.91 3kxk s VAL 27 Ca 0.14 -0.68 0.15 0.00 0.00 0.00 0.00 61.98 61.59 3kxk s VAL 27 Cb -0.15 -4.61 -0.04 0.00 0.00 0.00 0.00 36.38 31.57 3kxk s VAL 27 CO 0.09 -1.49 1.16 0.71 0.00 0.00 0.00 175.10 175.57 3kxk h THR 28 N 6.88 0.75 -3.14 3.92 1.35 -1.71 -3.47 112.91 117.49 3kxk h THR 28 Ca 0.17 -2.19 -0.12 0.00 -0.55 0.00 0.00 66.41 63.73 3kxk h THR 28 Cb 1.00 2.27 -0.20 0.00 -1.73 0.00 0.00 68.15 69.49 3kxk h THR 28 CO 1.33 0.43 -0.31 -0.94 -0.25 0.00 0.00 175.52 175.78 3kxk s SER 29 N -6.17 -0.15 -0.00 5.36 1.04 -1.11 -5.03 113.70 107.64 3kxk s SER 29 Ca 0.01 0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.46 3kxk s SER 29 Cb 0.08 0.30 -0.00 0.00 0.10 0.00 0.00 66.02 66.50 3kxk s SER 29 CO 0.78 -0.45 -0.05 -0.63 0.98 0.00 0.00 173.24 173.87 3kxk s ILE 30 N -1.46 0.36 0.05 -1.02 1.01 -1.26 -0.80 121.20 118.08 3kxk s ILE 30 Ca -0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 3kxk s ILE 30 Cb -0.05 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 3kxk s ILE 30 CO 0.03 0.09 -0.03 -0.31 0.00 0.00 0.00 174.94 174.72 3kxk s TYR 31 N -0.15 0.51 0.00 3.97 2.02 0.76 -4.95 117.35 119.51 3kxk s TYR 31 Ca 0.01 -1.05 0.00 0.00 -0.37 0.00 0.00 57.07 55.66 3kxk s TYR 31 Cb -0.02 -0.38 0.00 0.00 -0.40 0.00 0.00 41.96 41.16 3kxk s TYR 31 CO -0.00 -0.38 0.00 1.63 -1.57 0.00 0.00 175.55 175.23 3kxk n LYS 32 N 0.15 0.03 -3.81 -0.62 5.02 -1.26 -1.73 118.16 115.94 3kxk n LYS 32 Ca -0.14 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.79 3kxk n LYS 32 Cb 0.61 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.51 3kxk n LYS 32 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kxk s LEU 33 N 0.00 3.68 -0.27 -0.35 1.02 -1.26 -4.35 118.68 117.14 3kxk s LEU 33 Ca 0.00 -0.08 -0.35 0.00 0.02 0.00 0.00 54.13 53.72 3kxk s LEU 33 Cb 0.00 -1.98 -0.11 0.00 0.02 0.00 0.00 46.19 44.12 3kxk s LEU 33 CO 0.00 0.03 2.07 -0.81 0.02 0.00 0.00 176.35 177.65 3kxk n PRO 34 N 4.51 1.39 -0.34 1.29 -0.04 -1.26 -4.82 135.00 135.73 3kxk n PRO 34 Ca -0.16 0.44 0.06 0.00 -0.04 0.00 0.00 63.50 63.79 3kxk n PRO 34 Cb 0.52 -2.51 0.13 0.00 -0.04 0.00 0.00 33.50 31.60 3kxk n PRO 34 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3kxk n LYS 35 N 7.53 -0.09 -3.87 0.54 5.02 -1.26 -2.63 118.16 123.41 3kxk n LYS 35 Ca 0.34 1.47 -0.32 0.00 -2.02 0.00 0.00 58.31 57.78 3kxk n LYS 35 Cb 0.25 -2.19 -0.12 0.00 -0.02 0.00 0.00 35.03 32.94 3kxk n LYS 35 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3kxk s SER 36 N -5.24 4.64 0.33 4.39 1.04 -1.26 -5.09 113.70 112.50 3kxk s SER 36 Ca -0.14 -3.02 -0.27 0.00 0.48 0.00 0.00 55.95 53.00 3kxk s SER 36 Cb 0.25 -1.71 -0.13 0.00 0.10 0.00 0.00 66.02 64.53 3kxk s SER 36 CO 0.73 -0.27 0.92 -2.65 0.98 0.00 0.00 173.24 172.96 3kxk n PRO 37 N 3.15 1.17 -0.95 4.02 -0.02 -1.08 -4.94 135.00 136.36 3kxk n PRO 37 Ca 0.07 0.41 -0.31 0.00 -2.02 0.00 0.00 63.50 61.65 3kxk n PRO 37 Cb 0.34 -1.78 0.14 0.00 -0.02 0.00 0.00 33.50 32.18 3kxk n PRO 37 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3kxk s ASN 38 N -0.67 3.40 -0.08 2.55 3.84 0.26 -4.89 114.94 119.35 3kxk s ASN 38 Ca 0.60 1.92 -0.06 0.00 0.21 0.00 0.00 52.86 55.54 3kxk s ASN 38 Cb -0.67 -2.48 -0.27 0.00 -0.55 0.00 0.00 41.25 37.27 3kxk s ASN 38 CO 0.59 -2.75 0.53 0.58 -2.79 0.00 0.00 177.10 173.26 3kxk h VAL 39 N -1.63 0.79 0.05 -5.21 2.07 -1.92 -3.07 116.25 107.34 3kxk h VAL 39 Ca -0.45 -2.47 -0.24 0.00 0.82 0.00 0.00 66.70 64.35 3kxk h VAL 39 Cb 1.26 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 33.61 3kxk h VAL 39 CO 0.47 0.84 -1.26 0.11 0.02 0.00 0.00 177.57 177.75 3kxk h LYS 40 N 0.07 0.11 -0.01 1.57 1.57 -1.94 -3.41 116.57 114.53 3kxk h LYS 40 Ca -0.37 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 3kxk h LYS 40 Cb 2.05 0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.43 3kxk h LYS 40 CO 0.12 1.09 -0.07 1.19 -0.57 0.00 0.00 179.45 181.21 3kxk n PHE 41 N -4.17 0.00 0.00 -1.35 3.72 -1.26 -4.01 117.46 110.38 3kxk n PHE 41 Ca -0.27 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 3kxk n PHE 41 Cb 0.77 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.31 3kxk n PHE 41 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3kxk n TYR 42 N 0.00 0.00 -3.04 1.38 9.36 -1.16 -4.80 117.16 118.90 3kxk n TYR 42 Ca 0.03 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 60.95 3kxk n TYR 42 Cb 0.15 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.82 3kxk n TYR 42 CO 0.00 0.00 0.00 0.96 0.22 0.00 0.00 176.86 178.04 3kxk s ILE 43 N 0.00 4.81 0.35 2.97 -4.36 -1.26 0.93 121.20 124.65 3kxk s ILE 43 Ca 0.00 0.59 -0.28 0.00 -0.26 0.00 0.00 60.65 60.69 3kxk s ILE 43 Cb 0.00 -3.69 -0.12 0.00 1.25 0.00 0.00 42.46 39.90 3kxk s ILE 43 CO 0.00 -0.37 1.44 0.00 0.24 0.00 0.00 174.94 176.25 3kxk n GLN 44 N -0.93 2.50 -0.32 0.37 3.00 -1.26 -4.69 117.38 116.05 3kxk n GLN 44 Ca 0.02 0.88 0.04 0.00 -0.01 0.00 0.00 57.00 57.92 3kxk n GLN 44 Cb 0.54 -2.57 0.18 0.00 0.00 0.00 0.00 30.24 28.38 3kxk n GLN 44 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.06 176.14 3kxk h TYR 45 N 3.09 1.00 -0.32 1.08 5.03 -1.95 -1.70 116.97 123.20 3kxk h TYR 45 Ca -0.49 0.03 0.04 0.00 2.58 0.00 0.00 58.73 60.89 3kxk h TYR 45 Cb 1.25 -0.32 -0.04 0.00 1.55 0.00 0.00 36.73 39.18 3kxk h TYR 45 CO 0.53 0.44 0.10 0.38 -1.32 0.00 0.00 178.16 178.29 3kxk h ASP 46 N 0.93 0.09 -0.82 -2.11 2.03 -1.99 0.58 116.42 115.13 3kxk h ASP 46 Ca 0.42 0.04 -0.03 0.00 -0.73 0.00 0.00 57.03 56.73 3kxk h ASP 46 Cb 0.33 0.04 -0.04 0.00 -0.83 0.00 0.00 39.33 38.83 3kxk h ASP 46 CO -0.23 0.09 0.39 0.11 -1.03 0.00 0.00 179.24 178.57 3kxk h LYS 47 N 0.23 1.18 -0.43 4.15 1.57 -1.78 0.26 116.57 121.75 3kxk h LYS 47 Ca 0.15 -0.18 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3kxk h LYS 47 Cb 0.13 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 3kxk h LYS 47 CO -0.16 0.91 0.20 1.25 -0.57 0.00 0.00 179.45 181.08 3kxk h LEU 48 N 1.16 0.28 -1.16 2.94 5.85 -0.57 0.78 115.31 124.59 3kxk h LEU 48 Ca 0.28 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.96 3kxk h LEU 48 Cb 0.12 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3kxk h LEU 48 CO -0.03 0.20 -0.16 1.56 -0.34 0.00 0.00 178.44 179.67 3kxk h GLN 49 N 0.41 0.40 -0.45 1.25 1.08 -0.47 -0.08 115.11 117.25 3kxk h GLN 49 Ca 0.19 -0.11 -0.02 0.00 -1.45 0.00 0.00 58.65 57.26 3kxk h GLN 49 Cb 0.11 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 3kxk h GLN 49 CO -0.15 0.55 0.22 0.37 -0.95 0.00 0.00 178.83 178.87 3kxk h GLN 50 N 0.37 0.65 -0.78 1.46 5.75 -0.01 0.18 115.11 122.73 3kxk h GLN 50 Ca 0.07 -0.10 -0.04 0.00 -0.15 0.00 0.00 58.65 58.43 3kxk h GLN 50 Cb 0.49 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.89 3kxk h GLN 50 CO 0.03 0.56 0.32 0.82 -2.65 0.00 0.00 178.83 177.91 3kxk h ILE 51 N 0.59 1.26 -0.65 2.39 1.08 -0.38 -2.60 117.51 119.19 3kxk h ILE 51 Ca 0.16 -0.80 -0.06 0.00 -0.39 0.00 0.00 64.86 63.77 3kxk h ILE 51 Cb 0.12 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 34.16 3kxk h ILE 51 CO -0.02 0.33 0.17 0.50 -0.69 0.00 0.00 178.15 178.44 3kxk h LYS 52 N 1.13 1.01 -2.40 2.37 3.64 -0.64 -3.22 116.57 118.46 3kxk h LYS 52 Ca 0.26 -0.22 -0.74 0.00 -1.27 0.00 0.00 60.65 58.68 3kxk h LYS 52 Cb 0.20 -0.15 -0.19 0.00 -0.41 0.00 0.00 32.23 31.69 3kxk h LYS 52 CO -0.02 0.89 1.68 0.09 -2.27 0.00 0.00 179.45 179.81 3kxk n ASN 53 N -4.25 7.64 -3.15 4.20 3.02 0.61 -4.77 115.26 118.56 3kxk n ASN 53 Ca 0.05 -3.37 0.04 0.00 -0.03 0.00 0.00 54.58 51.26 3kxk n ASN 53 Cb 0.24 -1.27 -0.00 0.00 -0.61 0.00 0.00 39.78 38.14 3kxk n ASN 53 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kxk s ASP 54 N -0.29 -1.58 0.00 6.41 -1.08 -1.22 -4.91 116.67 114.00 3kxk s ASP 54 Ca 0.49 0.26 0.12 0.00 -0.52 0.00 0.00 52.55 52.90 3kxk s ASP 54 Cb 0.22 2.04 0.61 0.00 -1.46 0.00 0.00 42.92 44.34 3kxk s ASP 54 CO -0.14 -0.30 1.23 -0.62 0.52 0.00 0.00 175.17 175.87 3kxk n GLU 55 N 5.42 0.22 0.00 4.34 1.02 -1.26 -1.64 120.64 128.74 3kxk n GLU 55 Ca 0.04 0.13 0.14 0.00 -0.02 0.00 0.00 57.16 57.45 3kxk n GLU 55 Cb 0.54 -1.50 0.44 0.00 -0.02 0.00 0.00 31.44 30.90 3kxk n GLU 55 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3kxk n GLU 56 N -1.20 1.72 -4.45 3.49 1.02 -1.26 -4.81 120.64 115.14 3kxk n GLU 56 Ca 0.06 -1.09 -0.33 0.00 -0.02 0.00 0.00 57.16 55.78 3kxk n GLU 56 Cb 0.08 -1.48 -0.15 0.00 -0.02 0.00 0.00 31.44 29.87 3kxk n GLU 56 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3kxk s ILE 57 N -2.03 2.71 -0.23 -3.67 -1.09 -0.65 -4.76 121.20 111.47 3kxk s ILE 57 Ca 0.35 -0.75 0.06 0.00 -2.23 0.00 0.00 60.65 58.08 3kxk s ILE 57 Cb 0.21 -2.15 -0.07 0.00 -1.58 0.00 0.00 42.46 38.86 3kxk s ILE 57 CO 0.34 0.51 0.23 -1.54 -1.23 0.00 0.00 174.94 173.26 3kxk n SER 58 N 4.14 0.98 -3.69 3.58 3.41 -1.25 -4.95 113.62 115.83 3kxk n SER 58 Ca -0.19 -0.51 -0.10 0.00 -0.26 0.00 0.00 58.87 57.81 3kxk n SER 58 Cb 0.52 1.06 -0.11 0.00 -0.26 0.00 0.00 64.21 65.42 3kxk n SER 58 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3kxk s THR 59 N -1.76 -0.19 -0.19 6.66 2.01 -1.15 -2.00 115.64 119.02 3kxk s THR 59 Ca 0.01 0.13 -0.14 0.00 0.31 0.00 0.00 61.69 62.00 3kxk s THR 59 Cb 0.05 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 3kxk s THR 59 CO 0.25 0.05 0.30 -0.22 -0.69 0.00 0.00 174.62 174.32 3kxk s LEU 60 N 1.72 4.19 -0.15 4.42 2.96 0.17 -0.83 118.68 131.16 3kxk s LEU 60 Ca -0.07 0.44 0.00 0.00 -0.22 0.00 0.00 54.13 54.28 3kxk s LEU 60 Cb -0.10 -2.37 0.03 0.00 0.50 0.00 0.00 46.19 44.25 3kxk s LEU 60 CO -0.12 0.04 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.21 3kxk s ILE 61 N 0.83 1.40 -0.23 6.68 1.01 0.92 -0.03 121.20 131.79 3kxk s ILE 61 Ca 0.16 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 3kxk s ILE 61 Cb -0.14 -1.39 0.01 0.00 0.01 0.00 0.00 42.46 40.95 3kxk s ILE 61 CO 0.05 0.36 -0.06 -0.63 0.00 0.00 0.00 174.94 174.65 3kxk s ILE 62 N 1.54 3.03 -1.36 2.92 1.01 -0.19 -1.20 121.20 126.95 3kxk s ILE 62 Ca 0.04 -0.76 -0.13 0.00 0.00 0.00 0.00 60.65 59.79 3kxk s ILE 62 Cb -0.14 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 3kxk s ILE 62 CO -0.09 0.34 2.39 0.33 0.00 0.00 0.00 174.94 177.90 3kxk n PHE 63 N 4.73 2.76 -3.85 3.97 7.35 -0.84 -2.83 117.46 128.75 3kxk n PHE 63 Ca -0.18 -2.75 -0.08 0.00 -0.76 0.00 0.00 57.45 53.69 3kxk n PHE 63 Cb 0.49 -2.33 -0.00 0.00 0.35 0.00 0.00 39.48 37.99 3kxk n PHE 63 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3kxk s GLU 64 N 3.18 2.00 -0.45 -4.13 0.41 -1.26 -4.83 118.70 113.62 3kxk s GLU 64 Ca 0.54 -1.24 -0.18 0.00 -0.41 0.00 0.00 54.97 53.68 3kxk s GLU 64 Cb 0.15 0.61 0.04 0.00 -1.78 0.00 0.00 34.13 33.14 3kxk s GLU 64 CO -0.05 -0.92 0.54 -1.14 -0.49 0.00 0.00 175.26 173.20 3kxk s GLN 65 N -3.12 3.14 0.17 1.61 0.74 -1.26 -1.10 119.66 119.83 3kxk s GLN 65 Ca 0.14 -0.75 -0.15 0.00 0.05 0.00 0.00 55.36 54.65 3kxk s GLN 65 Cb -0.05 -4.01 -0.07 0.00 1.10 0.00 0.00 33.01 29.97 3kxk s GLN 65 CO 0.10 -1.01 0.59 -0.51 -0.55 0.00 0.00 175.29 173.91 3kxk s LEU 66 N 2.41 4.32 0.58 3.68 1.43 -1.26 -5.06 118.68 124.78 3kxk s LEU 66 Ca 0.15 1.15 -0.14 0.00 -1.03 0.00 0.00 54.13 54.25 3kxk s LEU 66 Cb -0.17 -3.38 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 3kxk s LEU 66 CO 0.14 0.07 1.02 -0.54 0.23 0.00 0.00 176.35 177.27 3kxk s LYS 67 N -2.03 3.57 0.29 1.70 -0.14 -1.26 -4.91 119.74 116.96 3kxk s LYS 67 Ca 0.40 0.98 0.03 0.00 -1.36 0.00 0.00 55.97 56.02 3kxk s LYS 67 Cb -0.15 -2.08 0.68 0.00 -1.68 0.00 0.00 37.83 34.61 3kxk s LYS 67 CO 0.20 -0.59 1.73 -1.35 -0.76 0.00 0.00 175.35 174.57 3kxk h PRO 68 N 0.32 0.51 -0.27 -1.68 0.11 -1.95 0.49 132.00 129.53 3kxk h PRO 68 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3kxk h PRO 68 Cb 1.20 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3kxk h PRO 68 CO 0.60 0.34 0.12 0.07 -0.21 0.00 0.00 178.00 178.92 3kxk h ARG 69 N 0.53 0.36 -0.04 1.05 0.11 -1.92 0.62 114.38 115.08 3kxk h ARG 69 Ca 0.54 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 60.58 3kxk h ARG 69 Cb 0.93 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 31.93 3kxk h ARG 69 CO -0.45 0.29 0.01 0.45 0.10 0.00 0.00 179.97 180.37 3kxk h HIS 70 N 0.37 0.07 -0.51 4.08 3.86 -1.04 -0.54 115.15 121.44 3kxk h HIS 70 Ca 0.09 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.32 3kxk h HIS 70 Cb 0.05 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.47 3kxk h HIS 70 CO 0.00 0.23 0.31 0.74 0.86 0.00 0.00 177.93 180.07 3kxk h PHE 71 N -0.12 0.58 0.14 2.45 0.04 -1.13 0.97 116.94 119.87 3kxk h PHE 71 Ca 0.01 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.81 3kxk h PHE 71 Cb 0.20 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 3kxk h PHE 71 CO -0.01 0.34 -0.19 0.82 -0.60 0.00 0.00 178.31 178.67 3kxk h ILE 72 N 0.62 0.58 -0.16 -0.55 2.04 -0.75 0.78 117.51 120.07 3kxk h ILE 72 Ca 0.20 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.03 3kxk h ILE 72 Cb -0.00 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3kxk h ILE 72 CO -0.08 0.00 -0.01 0.78 0.00 0.00 0.00 178.15 178.84 3kxk h ASN 73 N -0.38 0.29 -0.06 1.72 -0.26 -0.96 -0.47 115.58 115.46 3kxk h ASN 73 Ca 0.02 -0.33 -0.00 0.00 -0.56 0.00 0.00 56.30 55.42 3kxk h ASN 73 Cb 0.38 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 37.56 3kxk h ASN 73 CO -0.08 0.55 0.03 0.40 -1.06 0.00 0.00 177.43 177.28 3kxk h ILE 74 N 0.02 1.06 -0.36 2.81 2.04 -0.76 -1.34 117.51 120.98 3kxk h ILE 74 Ca 0.04 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 3kxk h ILE 74 Cb 0.41 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3kxk h ILE 74 CO 0.01 0.05 0.10 0.03 0.00 0.00 0.00 178.15 178.35 3kxk h ARG 75 N 0.02 0.52 0.00 2.37 3.08 -0.88 0.12 114.38 119.61 3kxk h ARG 75 Ca 0.02 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3kxk h ARG 75 Cb 0.06 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 3kxk h ARG 75 CO -0.00 0.47 -0.15 -0.09 -1.07 0.00 0.00 179.97 179.12 3kxk h ARG 76 N 0.51 0.00 0.06 0.04 9.65 -0.49 -1.99 114.38 122.17 3kxk h ARG 76 Ca 0.12 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.65 3kxk h ARG 76 Cb 0.17 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.71 3kxk h ARG 76 CO -0.01 0.15 -1.98 0.39 2.80 0.00 0.00 179.97 181.33 3kxk n GLU 77 N -3.69 0.68 -0.16 0.20 -0.58 -0.53 -4.42 120.64 112.14 3kxk n GLU 77 Ca -0.02 0.31 -0.08 0.00 -0.42 0.00 0.00 57.16 56.95 3kxk n GLU 77 Cb 0.27 -1.66 0.06 0.00 -0.57 0.00 0.00 31.44 29.54 3kxk n GLU 77 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3kxk h LEU 78 N -0.31 0.94 -3.61 -4.62 3.38 -0.80 -3.48 115.31 106.82 3kxk h LEU 78 Ca -0.47 -0.30 -0.43 0.00 0.09 0.00 0.00 57.88 56.78 3kxk h LEU 78 Cb 1.80 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 42.30 3kxk h LEU 78 CO -0.07 1.05 -1.13 0.29 0.09 0.00 0.00 178.44 178.67 3kxk n LYS 79 N -4.15 -1.75 0.00 1.13 5.02 -0.75 -3.91 118.16 113.74 3kxk n LYS 79 Ca 0.02 1.12 0.00 0.00 -2.02 0.00 0.00 58.31 57.43 3kxk n LYS 79 Cb 0.38 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 3kxk n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kxk n GLY 80 N -0.91 1.07 3.96 0.72 0.00 -1.26 -5.12 105.19 103.64 3kxk n GLY 80 Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 3kxk n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kxk s LYS 81 N 0.00 3.30 0.14 1.61 1.02 -1.25 -5.09 119.74 119.47 3kxk s LYS 81 Ca 0.00 -0.57 -0.13 0.00 0.02 0.00 0.00 55.97 55.29 3kxk s LYS 81 Cb 0.00 -2.70 -0.07 0.00 -0.52 0.00 0.00 37.83 34.54 3kxk s LYS 81 CO 0.00 0.07 0.53 -2.00 -0.92 0.00 0.00 175.35 173.03 3kxk s GLU 82 N -4.30 3.94 -0.03 1.68 2.56 -0.85 -4.96 118.70 116.74 3kxk s GLU 82 Ca 0.42 0.44 0.04 0.00 0.00 0.00 0.00 54.97 55.86 3kxk s GLU 82 Cb -0.10 -2.93 -0.00 0.00 2.00 0.00 0.00 34.13 33.11 3kxk s GLU 82 CO 0.34 0.48 -0.13 0.54 -0.56 0.00 0.00 175.26 175.93 3kxk s VAL 83 N -1.47 1.11 0.00 3.70 0.11 -1.26 0.46 120.40 123.04 3kxk s VAL 83 Ca 0.38 -0.55 -0.01 0.00 -2.93 0.00 0.00 61.98 58.87 3kxk s VAL 83 Cb -0.15 -0.96 -0.00 0.00 -1.53 0.00 0.00 36.38 33.74 3kxk s VAL 83 CO 0.19 0.33 0.01 -0.76 -3.33 0.00 0.00 175.10 171.54 3kxk s LEU 84 N 0.03 2.00 0.00 2.54 1.43 0.96 -4.95 118.68 120.70 3kxk s LEU 84 Ca -0.02 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 3kxk s LEU 84 Cb -0.09 0.09 0.02 0.00 0.03 0.00 0.00 46.19 46.23 3kxk s LEU 84 CO 0.01 -0.09 0.13 -0.90 0.23 0.00 0.00 176.35 175.73 3kxk n ASP 85 N 2.64 1.69 -0.15 2.29 5.75 -1.26 -1.03 116.55 126.48 3kxk n ASP 85 Ca -0.15 -1.68 -0.03 0.00 -0.01 0.00 0.00 54.79 52.91 3kxk n ASP 85 Cb 0.58 -0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.73 3kxk n ASP 85 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 3kxk h LYS 86 N 0.00 0.25 -0.05 0.11 3.64 -0.95 -0.47 116.57 119.10 3kxk h LYS 86 Ca -0.13 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3kxk h LYS 86 Cb 0.45 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3kxk h LYS 86 CO 0.20 0.17 0.02 0.82 -2.27 0.00 0.00 179.45 178.38 3kxk h ILE 87 N 0.26 1.14 -0.48 2.00 2.04 -1.92 -0.36 117.51 120.20 3kxk h ILE 87 Ca 0.23 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 3kxk h ILE 87 Cb 0.28 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 3kxk h ILE 87 CO -0.28 0.12 0.06 -0.07 0.00 0.00 0.00 178.15 177.99 3kxk h LEU 88 N -0.09 0.70 -0.04 1.44 3.38 -1.92 -1.83 115.31 116.96 3kxk h LEU 88 Ca 0.02 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3kxk h LEU 88 Cb 0.17 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3kxk h LEU 88 CO -0.00 0.73 0.01 0.25 0.09 0.00 0.00 178.44 179.52 3kxk h LEU 89 N 0.71 0.06 -0.70 1.67 5.85 -0.84 -2.00 115.31 120.06 3kxk h LEU 89 Ca 0.15 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.66 3kxk h LEU 89 Cb 0.34 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 3kxk h LEU 89 CO 0.01 0.26 0.46 -0.07 -0.34 0.00 0.00 178.44 178.76 3kxk h LEU 90 N -0.14 0.79 -0.74 2.25 3.38 -0.93 -1.95 115.31 117.98 3kxk h LEU 90 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kxk h LEU 90 Cb 0.23 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3kxk h LEU 90 CO -0.00 0.57 0.46 -0.07 0.09 0.00 0.00 178.44 179.49 3kxk h LEU 91 N 0.94 0.87 -0.70 1.67 3.38 -1.26 0.13 115.31 120.33 3kxk h LEU 91 Ca 0.26 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.21 3kxk h LEU 91 Cb -0.09 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 3kxk h LEU 91 CO -0.06 0.66 0.45 -0.33 0.09 0.00 0.00 178.44 179.24 3kxk h GLU 92 N 1.00 0.87 -0.61 1.13 5.08 -0.96 -1.30 114.58 119.79 3kxk h GLU 92 Ca 0.27 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3kxk h GLU 92 Cb -0.07 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 28.96 3kxk h GLU 92 CO -0.05 0.58 0.26 0.82 -1.00 0.00 0.00 179.01 179.61 3kxk h ILE 93 N 0.90 1.23 -0.45 3.13 2.04 -0.67 -2.61 117.51 121.07 3kxk h ILE 93 Ca 0.27 -0.68 0.06 0.00 1.00 0.00 0.00 64.86 65.51 3kxk h ILE 93 Cb -0.03 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 36.53 3kxk h ILE 93 CO -0.09 0.27 0.17 -0.26 0.00 0.00 0.00 178.15 178.24 3kxk h PHE 94 N 0.84 0.29 0.00 1.37 -1.00 -0.17 -1.75 116.94 116.53 3kxk h PHE 94 Ca 0.21 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.98 3kxk h PHE 94 Cb 0.17 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 39.67 3kxk h PHE 94 CO 0.01 0.11 -0.14 0.00 -1.61 0.00 0.00 178.31 176.67 3kxk h ALA 95 N 1.29 1.63 -0.23 2.45 0.00 -1.04 0.76 119.26 124.12 3kxk h ALA 95 Ca 0.21 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 3kxk h ALA 95 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kxk h ALA 95 CO -0.21 0.18 -0.61 -0.07 0.00 0.00 0.00 179.25 178.53 3kxk h LEU 96 N 0.00 0.88 0.00 0.00 3.38 -0.96 -3.15 115.31 115.47 3kxk h LEU 96 Ca -0.00 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3kxk h LEU 96 Cb 0.28 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kxk h LEU 96 CO 0.02 1.29 -0.45 1.41 0.09 0.00 0.00 178.44 180.80 3kxk n HIS 97 N -3.97 0.06 -1.87 1.13 8.25 -0.95 -4.91 115.22 112.96 3kxk n HIS 97 Ca -0.05 0.02 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 3kxk n HIS 97 Cb 0.66 -0.33 -0.02 0.00 1.12 0.00 0.00 29.99 31.42 3kxk n HIS 97 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kxk s ALA 98 N -3.02 3.75 0.00 -1.41 0.00 0.22 -4.73 121.76 116.57 3kxk s ALA 98 Ca 0.11 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.53 3kxk s ALA 98 Cb 0.17 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3kxk s ALA 98 CO 0.68 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.99 3kxk n GLY 99 N 2.84 0.00 3.73 0.00 0.00 -1.26 -5.00 105.19 105.50 3kxk n GLY 99 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3kxk n GLY 99 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kxk s SER 100 N -1.74 5.30 0.25 1.61 1.04 -1.26 -5.02 113.70 113.88 3kxk s SER 100 Ca 0.00 -0.04 -0.06 0.00 0.48 0.00 0.00 55.95 56.33 3kxk s SER 100 Cb 0.00 -1.38 0.27 0.00 0.10 0.00 0.00 66.02 65.00 3kxk s SER 100 CO 0.00 0.21 1.93 0.50 0.98 0.00 0.00 173.24 176.86 3kxk h LYS 101 N 3.69 1.32 -0.75 4.02 3.64 -1.99 -1.87 116.57 124.63 3kxk h LYS 101 Ca -0.48 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 58.88 3kxk h LYS 101 Cb 1.17 -0.30 -0.06 0.00 -0.41 0.00 0.00 32.23 32.63 3kxk h LYS 101 CO 0.62 0.88 0.45 1.49 -2.27 0.00 0.00 179.45 180.61 3kxk h GLU 102 N 1.36 0.79 -0.33 1.90 4.81 -1.99 -0.93 114.58 120.19 3kxk h GLU 102 Ca 0.37 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.53 3kxk h GLU 102 Cb -0.15 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.04 3kxk h GLU 102 CO -0.08 0.52 0.13 0.00 -0.73 0.00 0.00 179.01 178.85 3kxk h ALA 103 N 1.37 0.43 -0.40 2.92 0.00 -1.70 -1.41 119.26 120.48 3kxk h ALA 103 Ca 0.33 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.19 3kxk h ALA 103 Cb 0.18 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 3kxk h ALA 103 CO -0.18 0.03 -0.12 0.87 0.00 0.00 0.00 179.25 179.85 3kxk h LYS 104 N 0.38 -0.03 -0.07 0.00 1.79 -0.63 -0.60 116.57 117.42 3kxk h LYS 104 Ca 0.11 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.58 3kxk h LYS 104 Cb 0.19 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.85 3kxk h LYS 104 CO -0.01 -0.02 0.03 0.52 -1.08 0.00 0.00 179.45 178.89 3kxk h MET 105 N -0.03 0.10 -0.76 3.15 2.86 -1.01 -0.89 114.93 118.35 3kxk h MET 105 Ca 0.20 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.90 3kxk h MET 105 Cb 0.33 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.91 3kxk h MET 105 CO -0.43 0.21 0.42 1.96 1.06 0.00 0.00 176.91 180.13 3kxk h GLN 106 N -0.04 0.72 -0.24 1.72 1.08 -0.94 0.39 115.11 117.82 3kxk h GLN 106 Ca 0.02 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 3kxk h GLN 106 Cb 0.15 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 3kxk h GLN 106 CO -0.00 0.48 0.07 0.82 -0.95 0.00 0.00 178.83 179.24 3kxk h ILE 107 N 0.74 1.20 -0.49 2.54 2.04 -0.90 -2.12 117.51 120.52 3kxk h ILE 107 Ca 0.35 -0.64 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 3kxk h ILE 107 Cb 0.28 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3kxk h ILE 107 CO -0.22 0.21 0.00 -0.08 0.00 0.00 0.00 178.15 178.06 3kxk h GLU 108 N 0.21 0.82 -0.20 2.37 4.57 -0.58 -1.65 114.58 120.12 3kxk h GLU 108 Ca 0.08 -0.22 0.03 0.00 -1.18 0.00 0.00 59.36 58.06 3kxk h GLU 108 Cb 0.25 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 3kxk h GLU 108 CO -0.00 0.82 0.04 -0.07 -1.18 0.00 0.00 179.01 178.62 3kxk h LEU 109 N 0.77 0.01 -0.97 1.64 3.38 -0.07 0.38 115.31 120.45 3kxk h LEU 109 Ca 0.15 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3kxk h LEU 109 Cb 0.46 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3kxk h LEU 109 CO 0.02 0.04 0.36 0.00 0.09 0.00 0.00 178.44 178.94 3kxk h ALA 110 N 1.15 1.19 -0.56 1.53 0.00 -1.15 -0.12 119.26 121.30 3kxk h ALA 110 Ca 0.09 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3kxk h ALA 110 Cb 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3kxk h ALA 110 CO -0.12 0.61 0.18 -0.09 0.00 0.00 0.00 179.25 179.84 3kxk h ARG 111 N 1.09 0.86 -0.14 0.00 2.43 -0.80 -1.52 114.38 116.29 3kxk h ARG 111 Ca 0.26 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3kxk h ARG 111 Cb 0.13 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3kxk h ARG 111 CO -0.03 0.77 -0.07 -0.07 -1.51 0.00 0.00 179.97 179.06 3kxk h LEU 112 N 0.77 0.30 -2.17 3.80 3.38 -0.62 -0.78 115.31 120.00 3kxk h LEU 112 Ca 0.18 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.76 3kxk h LEU 112 Cb 0.26 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3kxk h LEU 112 CO -0.01 0.65 0.07 0.11 0.09 0.00 0.00 178.44 179.35 3kxk h LYS 113 N -0.04 0.00 0.00 1.13 1.57 -0.96 0.06 116.57 118.33 3kxk h LYS 113 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3kxk h LYS 113 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3kxk h LYS 113 CO 0.02 0.00 -0.99 0.98 -0.57 0.00 0.00 179.45 178.89 3kxk n TYR 114 N -4.21 0.84 -0.02 -1.35 9.36 -0.58 -4.13 117.16 117.07 3kxk n TYR 114 Ca -0.01 0.24 -0.01 0.00 3.32 0.00 0.00 57.90 61.44 3kxk n TYR 114 Cb 0.17 -0.87 -0.12 0.00 -0.63 0.00 0.00 39.34 37.89 3kxk n TYR 114 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 3kxk n GLU 115 N -2.54 0.65 0.09 2.98 4.07 -0.32 -4.37 120.64 121.20 3kxk n GLU 115 Ca 0.00 0.08 -0.12 0.00 -0.06 0.00 0.00 57.16 57.06 3kxk n GLU 115 Cb 0.53 -1.67 -0.06 0.00 -0.06 0.00 0.00 31.44 30.17 3kxk n GLU 115 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3kxk h LEU 116 N 0.00 -0.23 -1.97 4.31 3.38 -1.19 -2.58 115.31 117.03 3kxk h LEU 116 Ca -0.25 0.02 0.09 0.00 0.09 0.00 0.00 57.88 57.83 3kxk h LEU 116 Cb 1.69 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 3kxk h LEU 116 CO 0.03 -0.14 0.23 -0.65 0.09 0.00 0.00 178.44 178.01 3kxk h PRO 117 N -0.20 0.03 -0.60 1.13 0.11 -1.76 0.21 132.00 130.93 3kxk h PRO 117 Ca 0.00 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 3kxk h PRO 117 Cb 0.19 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 3kxk h PRO 117 CO -0.03 0.02 0.03 0.82 -0.21 0.00 0.00 178.00 178.63 3kxk h ILE 118 N 0.03 1.26 0.00 4.15 2.04 -1.66 -2.32 117.51 121.02 3kxk h ILE 118 Ca 0.15 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.91 3kxk h ILE 118 Cb 0.57 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3kxk h ILE 118 CO -0.01 0.40 -0.51 -0.29 0.00 0.00 0.00 178.15 177.74 3kxk h ILE 119 N 0.93 0.00 -0.09 -0.67 2.10 -1.12 -3.34 117.51 115.33 3kxk h ILE 119 Ca 0.17 -0.72 -0.03 0.00 1.08 0.00 0.00 64.86 65.37 3kxk h ILE 119 Cb 0.52 1.42 -0.00 0.00 -1.09 0.00 0.00 36.82 37.67 3kxk h ILE 119 CO 0.03 0.00 -0.05 0.11 -1.08 0.00 0.00 178.15 177.15 3kxk h LYS 120 N 0.00 0.20 -2.01 2.19 6.56 -0.32 -3.28 116.57 119.90 3kxk h LYS 120 Ca 0.00 -0.09 -0.08 0.00 -1.06 0.00 0.00 60.65 59.42 3kxk h LYS 120 Cb 0.86 -0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.48 3kxk h LYS 120 CO 0.00 0.57 -0.16 0.39 -2.06 0.00 0.00 179.45 178.19 3kxk n GLU 121 N -4.72 1.40 0.00 3.15 1.02 -0.90 -5.08 120.64 115.51 3kxk n GLU 121 Ca -0.07 -0.43 0.00 0.00 -0.02 0.00 0.00 57.16 56.64 3kxk n GLU 121 Cb 0.28 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 3kxk n GLU 121 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3kxk n THR 122 N 1.96 0.00 0.00 2.62 -1.04 -1.24 -4.96 114.28 111.63 3kxk n THR 122 Ca 0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 3kxk n THR 122 Cb 0.67 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.68 3kxk n THR 122 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3kxk n ASN 178 N -2.08 0.00 -4.64 8.00 5.15 -1.26 -5.20 115.26 115.24 3kxk n ASN 178 Ca 0.00 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.56 3kxk n ASN 178 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 3kxk n ASN 178 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3kxk s ILE 179 N 0.00 3.17 0.58 -1.44 1.01 -1.26 -4.98 121.20 118.28 3kxk s ILE 179 Ca 0.00 0.19 -0.15 0.00 0.00 0.00 0.00 60.65 60.69 3kxk s ILE 179 Cb 0.00 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 3kxk s ILE 179 CO 0.00 -0.05 1.03 -2.84 0.00 0.00 0.00 174.94 173.08 3kxk s PRO 180 N 4.96 3.48 -0.20 2.79 0.02 -1.26 -4.88 135.00 139.92 3kxk s PRO 180 Ca 0.88 1.06 0.00 0.00 0.02 0.00 0.00 61.00 62.96 3kxk s PRO 180 Cb -0.37 -2.06 0.02 0.00 0.02 0.00 0.00 34.50 32.11 3kxk s PRO 180 CO 0.37 -0.67 -0.15 0.45 -0.33 0.00 0.00 177.00 176.67 3kxk s SER 181 N -3.10 3.52 -0.18 2.53 0.15 -1.26 -1.64 113.70 113.72 3kxk s SER 181 Ca 0.61 -0.66 -0.03 0.00 0.70 0.00 0.00 55.95 56.56 3kxk s SER 181 Cb -0.14 -1.55 -0.02 0.00 -1.71 0.00 0.00 66.02 62.61 3kxk s SER 181 CO 0.39 -0.03 -0.05 -0.63 1.20 0.00 0.00 173.24 174.13 3kxk s ILE 182 N 1.32 3.61 -0.26 6.45 -1.09 0.44 -0.77 121.20 130.90 3kxk s ILE 182 Ca 0.04 -0.44 -0.10 0.00 -2.23 0.00 0.00 60.65 57.92 3kxk s ILE 182 Cb -0.14 -2.60 -0.05 0.00 -1.58 0.00 0.00 42.46 38.09 3kxk s ILE 182 CO -0.10 0.46 0.16 -0.83 -1.23 0.00 0.00 174.94 173.40 3kxk s GLY 183 N 0.83 1.92 -0.42 6.18 0.00 -0.34 -0.42 107.32 115.07 3kxk s GLY 183 Ca -0.01 -1.03 -0.22 0.00 0.00 0.00 0.00 44.72 43.46 3kxk s GLY 183 CO 0.02 0.54 0.74 -0.42 0.00 0.00 0.00 173.10 173.97 3kxk s ILE 184 N 1.49 4.73 0.33 0.90 1.01 0.26 -0.60 121.20 129.32 3kxk s ILE 184 Ca 0.07 0.49 0.09 0.00 0.00 0.00 0.00 60.65 61.30 3kxk s ILE 184 Cb -0.15 -4.24 -0.06 0.00 0.01 0.00 0.00 42.46 38.02 3kxk s ILE 184 CO 0.08 -0.58 -0.03 0.68 0.00 0.00 0.00 174.94 175.09 3kxk s VAL 185 N 3.08 2.53 0.00 2.92 -7.23 -0.32 -2.87 120.40 118.52 3kxk s VAL 185 Ca 0.28 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 3kxk s VAL 185 Cb -0.13 -2.72 0.00 0.00 0.56 0.00 0.00 36.38 34.09 3kxk s VAL 185 CO 0.20 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 3kxk n GLY 186 N -0.88 3.47 3.74 2.32 0.00 -1.26 -1.23 105.19 111.35 3kxk n GLY 186 Ca -0.05 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.12 3kxk n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kxk s TYR 187 N -2.00 2.25 0.73 1.61 1.51 -1.26 -1.13 117.35 119.05 3kxk s TYR 187 Ca 0.00 1.58 -0.15 0.00 -1.01 0.00 0.00 57.07 57.49 3kxk s TYR 187 Cb 0.00 -3.39 0.04 0.00 -0.11 0.00 0.00 41.96 38.50 3kxk s TYR 187 CO 0.00 -2.30 1.20 0.99 -1.11 0.00 0.00 175.55 174.33 3kxk s THR 188 N -2.03 2.38 -1.57 -0.71 2.01 -1.21 -2.73 115.64 111.78 3kxk s THR 188 Ca 0.73 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.91 3kxk s THR 188 Cb -0.27 -2.74 0.00 0.00 0.01 0.00 0.00 72.50 69.50 3kxk s THR 188 CO 0.42 -0.10 0.00 -3.20 -0.69 0.00 0.00 174.62 171.05 3kxk n ASN 189 N -2.72 -4.79 -0.44 3.53 4.05 -1.26 -4.82 115.26 108.81 3kxk n ASN 189 Ca 0.13 0.34 0.12 0.00 0.45 0.00 0.00 54.58 55.63 3kxk n ASN 189 Cb 0.50 -3.63 0.17 0.00 1.23 0.00 0.00 39.78 38.06 3kxk n ASN 189 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 3kxk n SER 190 N -0.45 1.71 0.00 1.20 3.41 -1.11 -4.88 113.62 113.51 3kxk n SER 190 Ca -0.15 -1.33 0.00 0.00 -0.26 0.00 0.00 58.87 57.13 3kxk n SER 190 Cb 0.50 0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 3kxk n SER 190 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kxk n GLY 191 N 1.37 0.69 0.13 5.00 0.00 -1.26 -4.41 105.19 106.71 3kxk n GLY 191 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 3kxk n GLY 191 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kxk h LYS 192 N 4.42 -0.08 -0.94 1.61 1.57 -1.92 0.57 116.57 121.81 3kxk h LYS 192 Ca 0.00 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.86 3kxk h LYS 192 Cb 0.00 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.26 3kxk h LYS 192 CO 0.00 -0.05 0.59 1.15 -0.57 0.00 0.00 179.45 180.57 3kxk h THR 193 N -0.08 1.04 -0.59 -0.16 2.02 -1.95 0.14 112.91 113.32 3kxk h THR 193 Ca 0.03 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 3kxk h THR 193 Cb 0.16 -0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.43 3kxk h THR 193 CO -0.21 0.19 0.33 0.28 0.37 0.00 0.00 175.52 176.48 3kxk h SER 194 N 1.06 0.73 -0.34 4.18 0.02 -1.80 0.14 113.55 117.53 3kxk h SER 194 Ca 0.42 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3kxk h SER 194 Cb 0.23 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3kxk h SER 194 CO -0.19 0.61 0.21 0.25 -1.14 0.00 0.00 176.83 176.56 3kxk h LEU 195 N 0.79 0.41 -0.66 5.07 6.46 0.16 0.11 115.31 127.65 3kxk h LEU 195 Ca 0.21 -0.05 0.02 0.00 -0.12 0.00 0.00 57.88 57.94 3kxk h LEU 195 Cb 0.03 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 39.82 3kxk h LEU 195 CO -0.03 0.34 0.43 0.15 -0.62 0.00 0.00 178.44 178.70 3kxk h PHE 196 N 0.45 0.81 -0.40 1.25 3.57 -0.41 -1.91 116.94 120.30 3kxk h PHE 196 Ca 0.12 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.52 3kxk h PHE 196 Cb -0.00 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 3kxk h PHE 196 CO -0.04 0.49 -0.24 -0.91 -2.23 0.00 0.00 178.31 175.38 3kxk h ASN 197 N 0.86 0.82 0.01 0.41 2.35 -0.37 -1.64 115.58 118.02 3kxk h ASN 197 Ca 0.25 -0.31 -0.09 0.00 -0.55 0.00 0.00 56.30 55.61 3kxk h ASN 197 Cb -0.04 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 3kxk h ASN 197 CO -0.08 1.03 -0.26 0.28 -1.65 0.00 0.00 177.43 176.75 3kxk h SER 198 N 0.70 0.40 0.68 5.81 0.02 -0.50 0.57 113.55 121.23 3kxk h SER 198 Ca 0.09 -0.13 -0.24 0.00 -0.84 0.00 0.00 61.79 60.67 3kxk h SER 198 Cb 0.76 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 3kxk h SER 198 CO 0.06 0.66 -1.07 -0.07 -1.14 0.00 0.00 176.83 175.27 3kxk h LEU 199 N 0.36 0.29 0.04 5.07 3.38 -1.24 -3.34 115.31 119.88 3kxk h LEU 199 Ca 0.05 -0.29 -0.30 0.00 0.09 0.00 0.00 57.88 57.44 3kxk h LEU 199 Cb 0.65 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3kxk h LEU 199 CO 0.05 1.18 -1.67 0.71 0.09 0.00 0.00 178.44 178.79 3kxk h THR 200 N 0.08 0.93 0.00 0.22 1.35 -1.14 -3.47 112.91 110.88 3kxk h THR 200 Ca -0.08 -2.71 0.00 0.00 -0.55 0.00 0.00 66.41 63.07 3kxk h THR 200 Cb 1.78 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 70.73 3kxk h THR 200 CO 0.17 0.66 0.00 0.61 -0.25 0.00 0.00 175.52 176.71 3kxk n GLY 201 N 1.64 0.74 0.00 5.82 0.00 0.20 -5.04 105.19 108.56 3kxk n GLY 201 Ca -0.18 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3kxk n GLY 201 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kxk n LEU 202 N 0.00 0.00 -3.55 0.99 4.77 -1.05 -5.03 117.00 113.12 3kxk n LEU 202 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 3kxk n LEU 202 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 3kxk n LEU 202 CO 0.00 -0.03 0.09 -1.20 -1.33 0.00 0.00 177.39 174.91 3kxk n SER 215 N 0.00 3.69 -0.27 -1.43 7.64 -1.26 -4.78 113.62 117.22 3kxk n SER 215 Ca 0.00 -3.39 -0.06 0.00 1.01 0.00 0.00 58.87 56.43 3kxk n SER 215 Cb 0.00 -0.71 0.06 0.00 -1.01 0.00 0.00 64.21 62.54 3kxk n SER 215 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3kxk h PRO 216 N 4.50 1.07 0.00 1.43 0.11 -2.04 -3.46 132.00 133.62 3kxk h PRO 216 Ca 0.19 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3kxk h PRO 216 Cb 0.68 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.60 3kxk h PRO 216 CO 0.83 0.85 0.00 1.63 -0.21 0.00 0.00 178.00 181.10 3kxk n LYS 217 N -4.39 -0.96 -3.06 1.05 4.76 -1.26 -4.81 118.16 109.49 3kxk n LYS 217 Ca 0.06 0.24 0.01 0.00 -2.87 0.00 0.00 58.31 55.75 3kxk n LYS 217 Cb 0.15 -4.41 -0.00 0.00 -1.84 0.00 0.00 35.03 28.93 3kxk n LYS 217 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3kxk s ARG 218 N -1.29 0.62 -0.05 1.97 3.52 -1.26 -2.09 118.95 120.37 3kxk s ARG 218 Ca 0.00 -0.21 0.04 0.00 -0.13 0.00 0.00 55.73 55.43 3kxk s ARG 218 Cb 0.00 0.07 -0.00 0.00 -1.56 0.00 0.00 34.95 33.46 3kxk s ARG 218 CO 0.00 -0.89 -0.18 -0.47 -0.81 0.00 0.00 175.30 172.95 3kxk s TYR 219 N 1.85 1.84 -0.38 5.12 5.04 -0.48 -4.94 117.35 125.39 3kxk s TYR 219 Ca 0.16 -0.58 -0.19 0.00 -2.44 0.00 0.00 57.07 54.02 3kxk s TYR 219 Cb -0.02 -1.24 0.01 0.00 0.35 0.00 0.00 41.96 41.06 3kxk s TYR 219 CO -0.09 -0.21 0.58 0.00 -1.34 0.00 0.00 175.55 174.49 3kxk s ALA 220 N 0.13 3.43 -0.13 3.97 0.00 -1.26 -1.01 121.76 126.88 3kxk s ALA 220 Ca -0.07 -1.06 -0.08 0.00 0.00 0.00 0.00 51.96 50.75 3kxk s ALA 220 Cb -0.13 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 3kxk s ALA 220 CO 0.03 -1.45 0.15 0.96 0.00 0.00 0.00 175.76 175.44 3kxk s ILE 221 N 2.60 5.48 -0.30 0.00 -4.36 0.82 -4.83 121.20 120.60 3kxk s ILE 221 Ca 0.21 0.22 -0.28 0.00 -0.26 0.00 0.00 60.65 60.55 3kxk s ILE 221 Cb -0.15 -3.42 0.01 0.00 1.25 0.00 0.00 42.46 40.15 3kxk s ILE 221 CO 0.15 0.58 1.01 -2.84 0.24 0.00 0.00 174.94 174.08 3kxk s PRO 222 N -0.72 4.08 -0.23 0.37 0.02 -1.26 -1.20 135.00 136.06 3kxk s PRO 222 Ca 0.14 1.02 -0.02 0.00 0.02 0.00 0.00 61.00 62.16 3kxk s PRO 222 Cb -0.12 -3.72 0.01 0.00 0.02 0.00 0.00 34.50 30.70 3kxk s PRO 222 CO 0.03 -0.80 -0.06 0.42 -0.33 0.00 0.00 177.00 176.25 3kxk s ILE 223 N 3.42 3.01 0.00 2.83 1.01 0.25 -4.98 121.20 126.74 3kxk s ILE 223 Ca 0.42 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 60.28 3kxk s ILE 223 Cb -0.13 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.90 3kxk s ILE 223 CO 0.13 0.32 0.00 0.59 0.00 0.00 0.00 174.94 175.98 3kxk n ASN 224 N 4.72 0.00 -0.84 3.58 5.03 -1.26 -1.08 115.26 125.41 3kxk n ASN 224 Ca -0.18 0.00 0.07 0.00 0.87 0.00 0.00 54.58 55.35 3kxk n ASN 224 Cb 0.49 0.00 0.22 0.00 -1.02 0.00 0.00 39.78 39.47 3kxk n ASN 224 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3kxk n ASN 225 N 8.85 3.57 -4.41 6.41 4.05 -1.26 -4.97 115.26 127.50 3kxk n ASN 225 Ca 0.00 -2.55 -0.33 0.00 0.45 0.00 0.00 54.58 52.15 3kxk n ASN 225 Cb 0.00 -0.42 -0.14 0.00 1.23 0.00 0.00 39.78 40.45 3kxk n ASN 225 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 3kxk s ARG 226 N -2.00 2.76 -0.19 1.20 0.52 -0.24 -5.11 118.95 115.89 3kxk s ARG 226 Ca 0.35 -0.73 -0.14 0.00 -0.52 0.00 0.00 55.73 54.68 3kxk s ARG 226 Cb 0.25 -2.41 -0.04 0.00 0.52 0.00 0.00 34.95 33.27 3kxk s ARG 226 CO 0.13 0.46 0.33 0.21 0.02 0.00 0.00 175.30 176.45 3kxk s LYS 227 N -0.32 4.20 -0.08 3.54 2.20 -1.26 -0.58 119.74 127.43 3kxk s LYS 227 Ca 0.02 0.10 0.03 0.00 -0.36 0.00 0.00 55.97 55.77 3kxk s LYS 227 Cb -0.13 -3.49 0.01 0.00 -1.51 0.00 0.00 37.83 32.71 3kxk s LYS 227 CO 0.02 0.09 -0.18 0.42 -0.36 0.00 0.00 175.35 175.34 3kxk s ILE 228 N 0.94 1.55 -0.34 5.43 1.01 -0.34 -4.22 121.20 125.21 3kxk s ILE 228 Ca 0.17 -0.72 -0.23 0.00 0.00 0.00 0.00 60.65 59.86 3kxk s ILE 228 Cb -0.14 -1.37 0.01 0.00 0.01 0.00 0.00 42.46 40.97 3kxk s ILE 228 CO 0.06 0.45 0.77 -0.32 0.00 0.00 0.00 174.94 175.89 3kxk s MET 229 N 0.50 3.81 -0.12 2.79 -2.45 -0.65 -0.13 119.30 123.05 3kxk s MET 229 Ca -0.16 0.37 -0.12 0.00 -1.25 0.00 0.00 55.69 54.53 3kxk s MET 229 Cb -0.17 -3.78 -0.05 0.00 1.25 0.00 0.00 34.83 32.08 3kxk s MET 229 CO 0.06 -0.78 0.28 -0.51 1.05 0.00 0.00 175.02 175.11 3kxk s LEU 230 N 3.01 4.33 -0.23 4.11 1.43 -0.18 -0.42 118.68 130.74 3kxk s LEU 230 Ca 0.31 0.59 0.01 0.00 -1.03 0.00 0.00 54.13 54.01 3kxk s LEU 230 Cb -0.14 -2.34 0.05 0.00 0.03 0.00 0.00 46.19 43.80 3kxk s LEU 230 CO 0.15 0.23 -0.07 -0.69 0.23 0.00 0.00 176.35 176.20 3kxk s VAL 231 N -0.24 1.62 -1.06 -1.59 1.01 0.44 -1.38 120.40 119.20 3kxk s VAL 231 Ca 0.17 -1.19 -0.22 0.00 0.00 0.00 0.00 61.98 60.74 3kxk s VAL 231 Cb -0.14 -1.82 0.05 0.00 0.00 0.00 0.00 36.38 34.48 3kxk s VAL 231 CO 0.06 -0.01 1.49 -0.62 0.00 0.00 0.00 175.10 176.02 3kxk s ASP 232 N 1.37 6.56 1.03 3.32 2.15 -0.89 -0.58 116.67 129.63 3kxk s ASP 232 Ca -0.05 -1.62 -0.12 0.00 0.43 0.00 0.00 52.55 51.19 3kxk s ASP 232 Cb -0.18 -2.57 0.21 0.00 -0.30 0.00 0.00 42.92 40.07 3kxk s ASP 232 CO -0.07 -1.45 1.07 0.42 -0.17 0.00 0.00 175.17 174.98 3kxk s THR 233 N 4.83 2.18 0.17 1.71 -4.23 -1.14 -4.87 115.64 114.28 3kxk s THR 233 Ca 0.47 0.06 -0.32 0.00 -1.18 0.00 0.00 61.69 60.72 3kxk s THR 233 Cb 0.01 -2.39 -0.10 0.00 1.34 0.00 0.00 72.50 71.35 3kxk s THR 233 CO -0.07 -0.07 1.63 0.54 -0.54 0.00 0.00 174.62 176.11 3kxk s VAL 234 N -2.78 2.48 0.65 2.29 0.11 -1.26 -4.92 120.40 116.97 3kxk s VAL 234 Ca 0.66 0.31 -0.17 0.00 -2.93 0.00 0.00 61.98 59.85 3kxk s VAL 234 Cb -0.21 -3.20 -0.00 0.00 -1.53 0.00 0.00 36.38 31.44 3kxk s VAL 234 CO 0.60 0.02 1.17 -2.84 -3.33 0.00 0.00 175.10 170.72 3kxk s PRO 235 N 1.35 2.69 0.29 1.54 0.02 -1.26 -4.80 135.00 134.84 3kxk s PRO 235 Ca 0.72 1.66 -0.29 0.00 0.02 0.00 0.00 61.00 63.11 3kxk s PRO 235 Cb -0.45 -1.91 -0.10 0.00 0.02 0.00 0.00 34.50 32.05 3kxk s PRO 235 CO 0.32 -1.38 1.45 -0.06 -0.33 0.00 0.00 177.00 177.00 3kxk s PHE 236 N -1.95 2.90 -0.07 6.54 0.08 -0.29 -4.83 117.98 120.37 3kxk s PHE 236 Ca 0.73 1.07 0.04 0.00 0.12 0.00 0.00 56.93 58.89 3kxk s PHE 236 Cb -0.26 -3.88 -0.00 0.00 -0.57 0.00 0.00 43.02 38.31 3kxk s PHE 236 CO 0.39 -2.75 -0.20 0.42 -0.10 0.00 0.00 175.22 172.98 3kxk s ILE 237 N -0.39 1.67 -0.10 0.64 1.01 -1.26 -3.32 121.20 119.45 3kxk s ILE 237 Ca 0.57 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 3kxk s ILE 237 Cb -0.43 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 3kxk s ILE 237 CO 0.49 0.47 0.28 -0.13 0.00 0.00 0.00 174.94 176.05 3kxk s ARG 238 N 0.23 3.92 -0.48 2.79 0.52 -1.26 -4.36 118.95 120.30 3kxk s ARG 238 Ca -0.11 0.12 -0.00 0.00 -0.52 0.00 0.00 55.73 55.22 3kxk s ARG 238 Cb -0.15 -3.30 -0.00 0.00 0.52 0.00 0.00 34.95 32.03 3kxk s ARG 238 CO 0.05 0.53 0.40 0.41 0.02 0.00 0.00 175.30 176.71 3kxk n GLY 239 N 2.52 0.12 3.68 -3.53 0.00 -1.26 -4.98 105.19 101.73 3kxk n GLY 239 Ca -0.15 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 3kxk n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kxk s ILE 240 N -3.15 4.22 0.22 -0.61 1.01 -1.26 -4.98 121.20 116.66 3kxk s ILE 240 Ca 0.00 1.53 -0.32 0.00 0.00 0.00 0.00 60.65 61.86 3kxk s ILE 240 Cb -0.00 -3.98 -0.13 0.00 0.01 0.00 0.00 42.46 38.36 3kxk s ILE 240 CO 0.29 -0.05 1.56 -2.65 0.00 0.00 0.00 174.94 174.10 3kxk n PRO 241 N 5.75 2.37 -0.28 2.79 -0.02 -1.26 -4.88 135.00 139.48 3kxk n PRO 241 Ca 0.12 0.85 0.19 0.00 -2.02 0.00 0.00 63.50 62.65 3kxk n PRO 241 Cb 0.45 -2.60 0.49 0.00 -0.02 0.00 0.00 33.50 31.82 3kxk n PRO 241 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3kxk h PRO 242 N 5.33 0.43 -0.69 0.52 0.13 -2.01 -1.61 132.00 134.09 3kxk h PRO 242 Ca -0.45 -0.03 0.07 0.00 -0.87 0.00 0.00 66.00 64.72 3kxk h PRO 242 Cb 1.24 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 3kxk h PRO 242 CO 0.84 0.28 0.46 1.96 -0.23 0.00 0.00 178.00 181.31 3kxk h GLN 243 N 0.44 0.68 -0.27 0.86 7.50 -2.02 -2.78 115.11 119.52 3kxk h GLN 243 Ca 0.51 -0.04 -0.04 0.00 0.50 0.00 0.00 58.65 59.58 3kxk h GLN 243 Cb 1.23 -0.15 -0.02 0.00 0.05 0.00 0.00 27.48 28.59 3kxk h GLN 243 CO -0.22 0.45 -0.00 0.44 -1.50 0.00 0.00 178.83 177.99 3kxk n ILE 244 N -4.48 2.33 -0.03 2.54 -5.35 -0.61 -4.64 119.36 109.12 3kxk n ILE 244 Ca 0.10 -2.07 -0.12 0.00 -0.27 0.00 0.00 62.75 60.40 3kxk n ILE 244 Cb 0.24 -0.27 -0.06 0.00 -1.74 0.00 0.00 39.64 37.81 3kxk n ILE 244 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3kxk h VAL 245 N 1.53 1.18 -0.06 7.28 2.07 -1.43 -1.85 116.25 124.97 3kxk h VAL 245 Ca 0.05 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 3kxk h VAL 245 Cb 1.48 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 32.58 3kxk h VAL 245 CO 0.25 0.16 0.03 0.44 0.02 0.00 0.00 177.57 178.48 3kxk h ASP 246 N -0.00 0.08 -0.99 0.57 3.32 -1.82 -2.14 116.42 115.44 3kxk h ASP 246 Ca 0.04 -0.09 0.09 0.00 0.02 0.00 0.00 57.03 57.09 3kxk h ASP 246 Cb 0.23 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.68 3kxk h ASP 246 CO -0.00 0.15 0.63 0.00 -1.72 0.00 0.00 179.24 178.30 3kxk h ALA 247 N 0.94 1.48 0.57 3.45 0.00 -1.82 -1.50 119.26 122.38 3kxk h ALA 247 Ca 0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3kxk h ALA 247 Cb 0.08 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.63 3kxk h ALA 247 CO -0.00 0.32 -0.27 0.35 0.00 0.00 0.00 179.25 179.64 3kxk h PHE 248 N 1.07 -0.71 -0.81 0.00 3.57 -1.03 -2.52 116.94 116.50 3kxk h PHE 248 Ca 0.46 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.92 3kxk h PHE 248 Cb 0.33 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 3kxk h PHE 248 CO -0.00 -0.39 0.43 0.74 -2.23 0.00 0.00 178.31 176.86 3kxk h PHE 249 N -0.93 1.13 -0.42 0.41 0.04 -1.17 0.11 116.94 116.11 3kxk h PHE 249 Ca -0.08 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.64 3kxk h PHE 249 Cb 0.64 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 3kxk h PHE 249 CO -0.01 0.79 0.20 0.28 -0.60 0.00 0.00 178.31 178.97 3kxk h VAL 250 N 1.14 1.15 -0.03 -0.55 2.07 -1.31 0.34 116.25 119.06 3kxk h VAL 250 Ca 0.28 -0.42 -0.18 0.00 0.82 0.00 0.00 66.70 67.21 3kxk h VAL 250 Cb 0.05 0.62 0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3kxk h VAL 250 CO -0.04 0.17 -0.67 0.74 0.02 0.00 0.00 177.57 177.79 3kxk h THR 251 N 0.58 1.38 -0.19 2.57 2.02 -0.78 -3.30 112.91 115.19 3kxk h THR 251 Ca 0.15 -2.05 -0.13 0.00 0.77 0.00 0.00 66.41 65.14 3kxk h THR 251 Cb 0.07 2.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 3kxk h THR 251 CO -0.02 0.61 -0.45 0.25 0.37 0.00 0.00 175.52 176.28 3kxk h LEU 252 N 0.06 0.50 -0.82 2.58 5.85 -0.51 -2.97 115.31 120.01 3kxk h LEU 252 Ca -0.08 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3kxk h LEU 252 Cb 1.35 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.24 3kxk h LEU 252 CO 0.13 0.88 0.01 -1.20 -0.34 0.00 0.00 178.44 177.93 3kxk n SER 253 N -4.00 0.32 0.00 1.25 7.64 0.12 -0.85 113.62 118.10 3kxk n SER 253 Ca -0.02 0.64 0.03 0.00 1.01 0.00 0.00 58.87 60.54 3kxk n SER 253 Cb 0.53 -0.68 0.16 0.00 -1.01 0.00 0.00 64.21 63.21 3kxk n SER 253 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3kxk n GLU 254 N -1.93 0.03 0.20 1.43 1.02 -1.12 -1.48 120.64 118.78 3kxk n GLU 254 Ca -0.01 0.33 0.09 0.00 -0.02 0.00 0.00 57.16 57.55 3kxk n GLU 254 Cb 0.03 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.09 3kxk n GLU 254 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kxk h ALA 255 N 2.28 0.90 0.00 0.62 0.00 -1.24 -3.21 119.26 118.61 3kxk h ALA 255 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3kxk h ALA 255 Cb 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kxk h ALA 255 CO 0.00 0.20 -0.10 0.87 0.00 0.00 0.00 179.25 180.22 3kxk h LYS 256 N 0.00 0.00 -0.32 0.00 1.57 -1.48 -2.52 116.57 113.83 3kxk h LYS 256 Ca -0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 3kxk h LYS 256 Cb 1.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 3kxk h LYS 256 CO 0.02 0.10 -0.37 1.88 -0.57 0.00 0.00 179.45 180.51 3kxk h TYR 257 N 0.00 0.98 -2.45 -1.35 0.05 -1.74 -3.45 116.97 109.01 3kxk h TYR 257 Ca -0.00 -0.31 -0.61 0.00 0.05 0.00 0.00 58.73 57.86 3kxk h TYR 257 Cb 0.21 -0.20 0.09 0.00 1.01 0.00 0.00 36.73 37.84 3kxk h TYR 257 CO 0.00 1.10 0.37 0.43 -1.05 0.00 0.00 178.16 179.02 3kxk n SER 258 N -4.15 1.95 0.00 3.88 7.64 -0.95 -4.88 113.62 117.12 3kxk n SER 258 Ca -0.04 1.16 -0.01 0.00 1.01 0.00 0.00 58.87 60.99 3kxk n SER 258 Cb 0.53 -1.33 0.26 0.00 -1.01 0.00 0.00 64.21 62.66 3kxk n SER 258 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3kxk h ASP 259 N 3.23 0.49 -5.28 6.43 3.32 -1.27 -3.45 116.42 119.89 3kxk h ASP 259 Ca -0.43 -0.12 -0.12 0.00 0.02 0.00 0.00 57.03 56.38 3kxk h ASP 259 Cb 1.31 -0.13 -0.13 0.00 0.22 0.00 0.00 39.33 40.60 3kxk h ASP 259 CO 0.69 0.63 -0.41 0.00 -1.72 0.00 0.00 179.24 178.43 3kxk s ALA 260 N -4.79 0.17 0.04 3.45 0.00 -1.14 -4.32 121.76 115.17 3kxk s ALA 260 Ca -0.07 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 50.96 3kxk s ALA 260 Cb 0.15 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 24.02 3kxk s ALA 260 CO 0.77 -0.58 -0.15 -0.51 0.00 0.00 0.00 175.76 175.29 3kxk s LEU 261 N -2.97 2.17 -0.38 0.00 1.43 -0.80 -1.19 118.68 116.95 3kxk s LEU 261 Ca 0.16 -0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 52.73 3kxk s LEU 261 Cb 0.05 -0.65 0.07 0.00 0.03 0.00 0.00 46.19 45.69 3kxk s LEU 261 CO -0.02 0.05 0.16 -0.63 0.23 0.00 0.00 176.35 176.14 3kxk s ILE 262 N -0.86 3.67 -0.40 -0.59 1.01 0.23 -0.91 121.20 123.35 3kxk s ILE 262 Ca 0.02 -1.50 -0.25 0.00 0.00 0.00 0.00 60.65 58.92 3kxk s ILE 262 Cb -0.08 -3.25 0.02 0.00 0.01 0.00 0.00 42.46 39.16 3kxk s ILE 262 CO 0.01 -0.41 0.91 -0.22 0.00 0.00 0.00 174.94 175.23 3kxk s LEU 263 N 1.32 4.02 -0.17 2.97 2.96 -0.17 -1.18 118.68 128.42 3kxk s LEU 263 Ca 0.02 0.39 -0.14 0.00 -0.22 0.00 0.00 54.13 54.17 3kxk s LEU 263 Cb -0.22 -3.21 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 3kxk s LEU 263 CO 0.00 -0.91 0.32 -0.69 -1.32 0.00 0.00 176.35 173.76 3kxk s VAL 264 N 3.52 5.27 -0.02 1.68 1.01 -0.37 -0.78 120.40 130.73 3kxk s VAL 264 Ca 0.37 0.59 0.05 0.00 0.00 0.00 0.00 61.98 62.99 3kxk s VAL 264 Cb -0.11 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 3kxk s VAL 264 CO 0.21 0.35 -0.17 -0.63 0.00 0.00 0.00 175.10 174.86 3kxk s ILE 265 N 0.74 1.33 -0.35 2.22 -1.09 -0.79 -4.39 121.20 118.88 3kxk s ILE 265 Ca 0.17 -0.71 -0.29 0.00 -2.23 0.00 0.00 60.65 57.59 3kxk s ILE 265 Cb -0.14 -1.11 0.02 0.00 -1.58 0.00 0.00 42.46 39.65 3kxk s ILE 265 CO 0.05 0.38 1.13 -0.62 -1.23 0.00 0.00 174.94 174.65 3kxk s ASP 266 N -0.34 6.83 0.27 3.58 2.15 -1.26 -0.92 116.67 126.97 3kxk s ASP 266 Ca 0.05 0.96 0.26 0.00 0.43 0.00 0.00 52.55 54.25 3kxk s ASP 266 Cb -0.07 -2.54 0.84 0.00 -0.30 0.00 0.00 42.92 40.85 3kxk s ASP 266 CO -0.00 -0.99 1.75 0.77 -0.17 0.00 0.00 175.17 176.53 3kxk h SER 267 N 8.53 0.00 0.40 -0.34 4.64 -1.65 -3.22 113.55 121.92 3kxk h SER 267 Ca -0.22 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.09 3kxk h SER 267 Cb 1.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3kxk h SER 267 CO 1.05 0.00 -0.07 0.71 -0.87 0.00 0.00 176.83 177.65 3kxk h THR 268 N 0.00 0.34 -4.25 2.95 1.35 -1.80 -3.44 112.91 108.06 3kxk h THR 268 Ca 0.00 -0.40 -0.52 0.00 -0.55 0.00 0.00 66.41 64.94 3kxk h THR 268 Cb 0.65 1.29 0.18 0.00 -1.73 0.00 0.00 68.15 68.55 3kxk h THR 268 CO 0.00 0.07 0.28 -0.36 -0.25 0.00 0.00 175.52 175.25 3kxk s PHE 269 N -4.10 1.77 0.74 4.73 0.08 -1.22 -4.95 117.98 115.03 3kxk s PHE 269 Ca -0.03 1.73 -0.13 0.00 0.12 0.00 0.00 56.93 58.63 3kxk s PHE 269 Cb 0.12 -3.37 0.17 0.00 -0.57 0.00 0.00 43.02 39.37 3kxk s PHE 269 CO 0.54 -2.74 0.91 -1.13 -0.10 0.00 0.00 175.22 172.70 3kxk n SER 270 N -3.80 -0.37 -0.00 1.36 3.41 -1.26 -4.74 113.62 108.21 3kxk n SER 270 Ca 0.12 -1.25 -0.12 0.00 -0.26 0.00 0.00 58.87 57.36 3kxk n SER 270 Cb 0.52 -0.72 -0.08 0.00 -0.26 0.00 0.00 64.21 63.66 3kxk n SER 270 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3kxk h GLU 271 N 0.00 0.06 -0.60 4.33 5.08 -1.97 0.97 114.58 122.44 3kxk h GLU 271 Ca -0.30 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.13 3kxk h GLU 271 Cb 0.85 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 3kxk h GLU 271 CO 0.21 0.31 0.40 -0.91 -1.00 0.00 0.00 179.01 178.02 3kxk h ASN 272 N -0.20 0.42 0.43 1.42 -0.26 -2.00 -0.46 115.58 114.93 3kxk h ASN 272 Ca 0.01 0.01 -0.31 0.00 -0.56 0.00 0.00 56.30 55.45 3kxk h ASN 272 Cb 0.28 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 3kxk h ASN 272 CO 0.00 0.26 -1.50 -0.07 -1.06 0.00 0.00 177.43 175.06 3kxk h LEU 273 N 0.47 0.49 -0.31 1.61 3.38 -1.89 -2.95 115.31 116.11 3kxk h LEU 273 Ca 0.27 -0.63 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3kxk h LEU 273 Cb 0.45 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3kxk h LEU 273 CO -0.08 1.51 0.17 -0.07 0.09 0.00 0.00 178.44 180.06 3kxk h LEU 274 N 0.09 0.39 -0.82 1.67 3.38 -0.27 0.16 115.31 119.92 3kxk h LEU 274 Ca -0.24 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.67 3kxk h LEU 274 Cb 2.04 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 42.64 3kxk h LEU 274 CO 0.19 0.37 0.52 0.40 0.09 0.00 0.00 178.44 180.01 3kxk h ILE 275 N 0.39 1.13 0.04 1.22 2.04 -1.21 -0.21 117.51 120.91 3kxk h ILE 275 Ca 0.11 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 3kxk h ILE 275 Cb 0.07 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.16 3kxk h ILE 275 CO -0.02 0.19 -0.02 -0.08 0.00 0.00 0.00 178.15 178.22 3kxk h GLU 276 N 1.02 -0.05 -0.63 2.37 4.81 -1.28 -1.36 114.58 119.46 3kxk h GLU 276 Ca 0.33 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.58 3kxk h GLU 276 Cb 0.01 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 3kxk h GLU 276 CO -0.11 0.15 0.39 1.15 -0.73 0.00 0.00 179.01 179.86 3kxk h THR 277 N -0.26 1.10 0.32 0.32 2.02 -0.41 0.14 112.91 116.15 3kxk h THR 277 Ca -0.01 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 3kxk h THR 277 Cb 0.23 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 3kxk h THR 277 CO 0.01 0.14 -0.15 -0.07 0.37 0.00 0.00 175.52 175.82 3kxk h LEU 278 N 0.78 -0.37 -1.47 2.58 3.38 -1.01 0.15 115.31 119.36 3kxk h LEU 278 Ca 0.25 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3kxk h LEU 278 Cb -0.01 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3kxk h LEU 278 CO -0.09 -0.20 0.24 1.56 0.09 0.00 0.00 178.44 180.04 3kxk h GLN 279 N -0.51 0.60 -0.08 1.13 4.20 -1.00 -1.24 115.11 118.22 3kxk h GLN 279 Ca -0.04 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 3kxk h GLN 279 Cb 0.38 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3kxk h GLN 279 CO 0.07 0.44 -0.17 0.77 -0.67 0.00 0.00 178.83 179.27 3kxk h SER 280 N 0.61 0.29 -0.37 1.46 0.02 -0.55 -1.49 113.55 113.50 3kxk h SER 280 Ca 0.16 -0.58 0.04 0.00 -0.84 0.00 0.00 61.79 60.57 3kxk h SER 280 Cb 0.02 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 3kxk h SER 280 CO -0.03 0.81 0.15 0.28 -1.14 0.00 0.00 176.83 176.90 3kxk h SER 281 N -0.22 0.19 -0.17 3.07 0.02 -0.32 -0.46 113.55 115.66 3kxk h SER 281 Ca 0.00 0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 60.84 3kxk h SER 281 Cb 0.77 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 3kxk h SER 281 CO 0.04 0.15 -0.38 -0.26 -1.14 0.00 0.00 176.83 175.23 3kxk h PHE 282 N 0.32 0.83 -0.47 3.45 0.04 -1.31 -2.45 116.94 117.35 3kxk h PHE 282 Ca 0.17 -0.24 0.02 0.00 2.80 0.00 0.00 57.97 60.72 3kxk h PHE 282 Cb 0.12 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.06 3kxk h PHE 282 CO -0.13 0.98 0.28 1.49 -0.60 0.00 0.00 178.31 180.33 3kxk h GLU 283 N 0.58 0.55 -0.93 1.51 4.81 -0.80 -0.90 114.58 119.40 3kxk h GLU 283 Ca 0.05 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3kxk h GLU 283 Cb 0.91 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.12 3kxk h GLU 283 CO 0.08 0.36 0.61 0.82 -0.73 0.00 0.00 179.01 180.15 3kxk h ILE 284 N 0.56 1.24 -0.54 2.32 2.04 -0.99 -0.35 117.51 121.79 3kxk h ILE 284 Ca 0.19 -0.45 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 3kxk h ILE 284 Cb 0.01 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 35.95 3kxk h ILE 284 CO -0.08 0.24 0.10 -0.07 0.00 0.00 0.00 178.15 178.33 3kxk h LEU 285 N 1.26 0.80 -0.64 1.44 3.38 -0.87 -1.83 115.31 118.85 3kxk h LEU 285 Ca 0.34 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 3kxk h LEU 285 Cb -0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 3kxk h LEU 285 CO -0.07 0.81 -0.22 0.03 0.09 0.00 0.00 178.44 179.07 3kxk h ARG 286 N 0.81 0.83 -0.29 1.13 3.08 -0.58 0.11 114.38 119.48 3kxk h ARG 286 Ca 0.17 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 3kxk h ARG 286 Cb 0.34 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3kxk h ARG 286 CO 0.00 0.97 0.15 1.49 -1.07 0.00 0.00 179.97 181.52 3kxk h GLU 287 N 0.73 0.39 0.00 0.04 4.81 -0.28 -0.77 114.58 119.49 3kxk h GLU 287 Ca 0.10 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3kxk h GLU 287 Cb 0.75 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.05 3kxk h GLU 287 CO 0.06 0.29 -0.67 0.44 -0.73 0.00 0.00 179.01 178.40 3kxk n ILE 288 N -4.46 0.10 -0.59 2.32 -5.35 -0.84 -4.97 119.36 105.57 3kxk n ILE 288 Ca 0.01 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 3kxk n ILE 288 Cb 0.10 0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.22 3kxk n ILE 288 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kxk n GLY 289 N 1.44 1.11 3.65 3.28 0.00 -0.30 -4.98 105.19 109.40 3kxk n GLY 289 Ca 0.04 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3kxk n GLY 289 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kxk s VAL 290 N -2.20 4.83 -0.16 1.61 1.01 0.32 -5.01 120.40 120.81 3kxk s VAL 290 Ca 0.00 1.64 -0.08 0.00 0.00 0.00 0.00 61.98 63.53 3kxk s VAL 290 Cb 0.00 -4.14 0.06 0.00 0.00 0.00 0.00 36.38 32.29 3kxk s VAL 290 CO 0.00 -0.06 0.37 -0.55 0.00 0.00 0.00 175.10 174.87 3kxk s SER 291 N 1.28 -0.44 0.00 3.32 0.15 -1.26 -4.59 113.70 112.15 3kxk s SER 291 Ca 0.37 0.82 0.00 0.00 0.70 0.00 0.00 55.95 57.83 3kxk s SER 291 Cb -0.16 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 3kxk s SER 291 CO 0.08 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.95 3kxk n GLY 292 N 4.31 0.85 3.74 9.45 0.00 -1.25 -5.00 105.19 117.29 3kxk n GLY 292 Ca -0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 3kxk n GLY 292 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kxk s LYS 293 N -0.11 4.32 0.09 1.61 1.02 -1.26 -4.63 119.74 120.79 3kxk s LYS 293 Ca 0.00 0.65 -0.33 0.00 0.02 0.00 0.00 55.97 56.31 3kxk s LYS 293 Cb 0.00 -3.39 -0.12 0.00 -0.52 0.00 0.00 37.83 33.80 3kxk s LYS 293 CO 0.00 0.26 1.74 -2.30 -0.92 0.00 0.00 175.35 174.13 3kxk n PRO 294 N 3.18 2.40 -4.23 -1.68 -0.02 -1.26 -4.33 135.00 129.07 3kxk n PRO 294 Ca -0.06 0.87 -0.32 0.00 -2.02 0.00 0.00 63.50 61.97 3kxk n PRO 294 Cb 0.51 -2.71 -0.16 0.00 -0.02 0.00 0.00 33.50 31.13 3kxk n PRO 294 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kxk s ILE 295 N 2.26 1.93 -0.34 4.25 1.01 -0.97 -1.91 121.20 127.43 3kxk s ILE 295 Ca 0.83 -0.87 -0.13 0.00 0.00 0.00 0.00 60.65 60.48 3kxk s ILE 295 Cb -0.61 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 3kxk s ILE 295 CO 0.41 0.52 0.26 -0.22 0.00 0.00 0.00 174.94 175.90 3kxk s LEU 296 N 1.22 4.54 -0.16 2.97 2.96 -0.09 -1.93 118.68 128.19 3kxk s LEU 296 Ca 0.02 -0.41 -0.19 0.00 -0.22 0.00 0.00 54.13 53.32 3kxk s LEU 296 Cb -0.14 -2.17 -0.03 0.00 0.50 0.00 0.00 46.19 44.35 3kxk s LEU 296 CO -0.10 -0.26 0.54 -0.69 -1.32 0.00 0.00 176.35 174.52 3kxk s VAL 297 N 1.76 5.11 -0.24 1.68 1.01 -0.62 -1.00 120.40 128.10 3kxk s VAL 297 Ca 0.07 1.03 -0.01 0.00 0.00 0.00 0.00 61.98 63.07 3kxk s VAL 297 Cb -0.17 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.37 3kxk s VAL 297 CO 0.11 0.22 -0.08 0.42 0.00 0.00 0.00 175.10 175.76 3kxk s THR 298 N 1.29 2.69 -0.85 3.92 -4.23 0.04 -1.80 115.64 116.69 3kxk s THR 298 Ca 0.26 -1.09 -0.25 0.00 -1.18 0.00 0.00 61.69 59.44 3kxk s THR 298 Cb -0.16 -2.36 0.05 0.00 1.34 0.00 0.00 72.50 71.37 3kxk s THR 298 CO 0.11 0.21 1.30 -0.22 -0.54 0.00 0.00 174.62 175.48 3kxk s LEU 299 N 1.29 3.51 0.58 4.79 2.96 -0.31 -1.88 118.68 129.63 3kxk s LEU 299 Ca -0.00 -0.97 -0.02 0.00 -0.22 0.00 0.00 54.13 52.92 3kxk s LEU 299 Cb -0.17 -2.54 0.03 0.00 0.50 0.00 0.00 46.19 44.01 3kxk s LEU 299 CO -0.06 -1.63 0.84 0.21 -1.32 0.00 0.00 176.35 174.39 3kxk s ASN 300 N 4.19 5.32 -1.12 3.68 2.47 -0.09 -0.46 114.94 128.91 3kxk s ASN 300 Ca 0.38 0.30 -0.05 0.00 0.42 0.00 0.00 52.86 53.91 3kxk s ASN 300 Cb -0.06 -1.21 0.01 0.00 -1.45 0.00 0.00 41.25 38.54 3kxk s ASN 300 CO 0.04 -1.17 0.60 0.29 -3.72 0.00 0.00 177.10 173.14 3kxk n LYS 301 N -2.49 -4.43 0.02 0.43 5.02 -1.05 -1.86 118.16 113.80 3kxk n LYS 301 Ca 0.06 0.67 0.08 0.00 -2.02 0.00 0.00 58.31 57.10 3kxk n LYS 301 Cb 0.59 -5.07 0.36 0.00 -0.02 0.00 0.00 35.03 30.89 3kxk n LYS 301 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3kxk n ILE 302 N -4.26 0.91 0.45 -0.18 -5.35 -1.07 -2.36 119.36 107.49 3kxk n ILE 302 Ca -0.06 0.23 0.13 0.00 -0.27 0.00 0.00 62.75 62.78 3kxk n ILE 302 Cb 0.58 -0.99 0.34 0.00 -1.74 0.00 0.00 39.64 37.82 3kxk n ILE 302 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 3kxk h ASP 303 N 0.00 0.00 -0.26 7.28 2.03 -1.90 -3.19 116.42 120.38 3kxk h ASP 303 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3kxk h ASP 303 Cb 0.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.79 3kxk h ASP 303 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 3kxk n LYS 304 N -2.61 2.84 -2.76 4.15 5.02 -0.99 -4.99 118.16 118.81 3kxk n LYS 304 Ca 0.05 -2.69 -0.42 0.00 -2.02 0.00 0.00 58.31 53.22 3kxk n LYS 304 Cb 0.45 -1.73 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 3kxk n LYS 304 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kxk s ILE 305 N -2.53 4.81 -0.70 -0.18 1.01 -1.21 -4.88 121.20 117.53 3kxk s ILE 305 Ca 0.38 1.91 -0.01 0.00 0.00 0.00 0.00 60.65 62.93 3kxk s ILE 305 Cb 0.30 -4.25 0.40 0.00 0.01 0.00 0.00 42.46 38.92 3kxk s ILE 305 CO 0.09 0.01 1.86 0.59 0.00 0.00 0.00 174.94 177.50 3kxk n ASN 306 N 5.10 7.08 0.00 3.58 3.02 -1.26 -4.96 115.26 127.82 3kxk n ASN 306 Ca 0.07 -3.80 0.00 0.00 -0.03 0.00 0.00 54.58 50.82 3kxk n ASN 306 Cb 0.49 -0.91 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 3kxk n ASN 306 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kxk n GLY 307 N -0.68 3.58 3.90 7.41 0.00 -1.26 -5.17 105.19 112.97 3kxk n GLY 307 Ca 0.55 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 3kxk n GLY 307 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kxk s ASP 308 N 1.88 6.39 -0.14 1.61 3.68 -1.26 -5.05 116.67 123.77 3kxk s ASP 308 Ca 0.00 0.39 -0.11 0.00 2.13 0.00 0.00 52.55 54.97 3kxk s ASP 308 Cb 0.00 -2.02 -0.07 0.00 -1.45 0.00 0.00 42.92 39.38 3kxk s ASP 308 CO 0.00 0.28 0.01 0.25 0.13 0.00 0.00 175.17 175.85 3kxk h LEU 309 N 4.01 0.00 -1.12 -1.34 5.85 -1.99 -3.36 115.31 117.37 3kxk h LEU 309 Ca -0.50 -0.17 0.14 0.00 0.84 0.00 0.00 57.88 58.19 3kxk h LEU 309 Cb 1.19 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.14 3kxk h LEU 309 CO 0.67 0.84 0.61 1.88 -0.34 0.00 0.00 178.44 182.10 3kxk h TYR 310 N -1.00 1.01 -0.66 1.25 0.05 -1.97 0.21 116.97 115.86 3kxk h TYR 310 Ca -0.06 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.80 3kxk h TYR 310 Cb 0.56 -0.32 -0.05 0.00 1.01 0.00 0.00 36.73 37.93 3kxk h TYR 310 CO -0.07 0.37 0.37 -0.22 -1.05 0.00 0.00 178.16 177.56 3kxk h LYS 311 N 0.85 0.68 -0.01 4.88 3.64 -2.00 0.29 116.57 124.89 3kxk h LYS 311 Ca 0.49 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.61 3kxk h LYS 311 Cb 0.64 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3kxk h LYS 311 CO -0.26 0.45 -0.90 0.87 -2.27 0.00 0.00 179.45 177.34 3kxk h LYS 312 N 0.70 0.38 -0.26 1.90 1.57 -1.27 -2.56 116.57 117.02 3kxk h LYS 312 Ca 0.29 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3kxk h LYS 312 Cb 0.15 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3kxk h LYS 312 CO -0.17 1.07 0.12 1.25 -0.57 0.00 0.00 179.45 181.15 3kxk h LEU 313 N 0.22 0.34 -0.74 2.94 5.85 0.14 0.20 115.31 124.26 3kxk h LEU 313 Ca -0.07 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.42 3kxk h LEU 313 Cb 1.53 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 3kxk h LEU 313 CO 0.15 0.38 -0.10 0.44 -0.34 0.00 0.00 178.44 178.97 3kxk h ASP 314 N 0.28 0.86 -0.04 1.25 3.32 -0.54 0.50 116.42 122.05 3kxk h ASP 314 Ca 0.09 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 3kxk h ASP 314 Cb 0.13 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 3kxk h ASP 314 CO -0.01 0.98 0.02 0.25 -1.72 0.00 0.00 179.24 178.75 3kxk h LEU 315 N 0.78 0.05 -0.37 1.55 7.12 -1.15 -0.96 115.31 122.34 3kxk h LEU 315 Ca 0.13 -0.14 -0.03 0.00 0.13 0.00 0.00 57.88 57.97 3kxk h LEU 315 Cb 0.61 -0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.71 3kxk h LEU 315 CO 0.04 0.17 0.09 0.58 -0.13 0.00 0.00 178.44 179.20 3kxk h VAL 316 N -0.08 1.22 -0.28 1.05 2.07 -0.51 -0.78 116.25 118.95 3kxk h VAL 316 Ca 0.01 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.80 3kxk h VAL 316 Cb 0.14 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3kxk h VAL 316 CO -0.00 0.26 0.15 -0.08 0.02 0.00 0.00 177.57 177.91 3kxk h GLU 317 N 0.44 0.30 -0.02 1.57 4.81 -0.84 -0.04 114.58 120.80 3kxk h GLU 317 Ca 0.12 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3kxk h GLU 317 Cb 0.29 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 3kxk h GLU 317 CO 0.00 0.20 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.25 3kxk h LYS 318 N 0.30 0.04 -0.61 1.92 3.64 -1.12 -2.68 116.57 118.07 3kxk h LYS 318 Ca 0.11 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3kxk h LYS 318 Cb 0.02 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 3kxk h LYS 318 CO -0.07 0.42 0.31 1.25 -2.27 0.00 0.00 179.45 179.09 3kxk h LEU 319 N -0.33 0.77 -0.32 5.20 5.85 -1.07 -2.04 115.31 123.37 3kxk h LEU 319 Ca 0.01 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 3kxk h LEU 319 Cb 0.40 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3kxk h LEU 319 CO 0.00 0.64 0.01 0.28 -0.34 0.00 0.00 178.44 179.03 3kxk h SER 320 N 0.86 0.54 1.02 1.25 0.02 -0.98 -2.03 113.55 114.23 3kxk h SER 320 Ca 0.22 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3kxk h SER 320 Cb 0.06 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 3kxk h SER 320 CO -0.03 0.71 -0.02 0.11 -1.14 0.00 0.00 176.83 176.46 3kxk h LYS 321 N 0.35 0.00 0.00 3.45 1.57 -1.21 0.11 116.57 120.85 3kxk h LYS 321 Ca 0.09 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 3kxk h LYS 321 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3kxk h LYS 321 CO 0.01 0.02 -0.59 0.93 -0.57 0.00 0.00 179.45 179.25 3kxk h GLU 322 N 0.00 0.00 0.00 3.15 5.08 -1.12 -3.35 114.58 118.35 3kxk h GLU 322 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kxk h GLU 322 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3kxk h GLU 322 CO 0.00 0.37 -1.79 1.28 -1.00 0.00 0.00 179.01 177.88 3kxk n LEU 323 N -3.13 0.13 -3.53 1.33 4.77 -0.79 -5.03 117.00 110.76 3kxk n LEU 323 Ca 0.00 -0.07 -0.12 0.00 -0.03 0.00 0.00 56.01 55.79 3kxk n LEU 323 Cb 0.71 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.76 3kxk n LEU 323 CO 0.40 0.03 0.30 -0.47 -1.33 0.00 0.00 177.39 176.32 3kxk s TYR 324 N -3.34 -0.41 -0.11 -1.77 5.04 0.34 -5.04 117.35 112.05 3kxk s TYR 324 Ca -0.05 0.28 -0.22 0.00 -2.44 0.00 0.00 57.07 54.64 3kxk s TYR 324 Cb 0.13 0.40 0.05 0.00 0.35 0.00 0.00 41.96 42.90 3kxk s TYR 324 CO 0.84 -0.73 0.54 0.45 -1.34 0.00 0.00 175.55 175.31 3kxk s SER 325 N -2.46 -0.51 0.07 4.32 0.15 -1.26 -4.22 113.70 109.78 3kxk s SER 325 Ca -0.01 0.74 -0.20 0.00 0.70 0.00 0.00 55.95 57.18 3kxk s SER 325 Cb -0.00 0.75 -0.06 0.00 -1.71 0.00 0.00 66.02 64.99 3kxk s SER 325 CO -0.08 -0.39 0.60 -2.84 1.20 0.00 0.00 173.24 171.73 3kxk s PRO 326 N -0.57 4.27 -0.42 5.44 0.02 -1.26 -3.91 135.00 138.57 3kxk s PRO 326 Ca -0.07 0.79 -0.17 0.00 0.02 0.00 0.00 61.00 61.57 3kxk s PRO 326 Cb -0.03 -3.27 0.02 0.00 0.02 0.00 0.00 34.50 31.24 3kxk s PRO 326 CO 0.05 0.57 0.42 0.42 -0.33 0.00 0.00 177.00 178.12 3kxk s ILE 327 N -0.89 5.11 0.11 2.83 -1.09 -1.26 -2.30 121.20 123.71 3kxk s ILE 327 Ca 0.30 -0.38 -0.18 0.00 -2.23 0.00 0.00 60.65 58.16 3kxk s ILE 327 Cb -0.20 -4.02 -0.05 0.00 -1.58 0.00 0.00 42.46 36.61 3kxk s ILE 327 CO 0.19 -0.40 1.65 0.15 -1.23 0.00 0.00 174.94 175.31 3kxk h PHE 328 N 8.71 0.44 -1.68 3.97 3.57 -1.74 -3.48 116.94 126.73 3kxk h PHE 328 Ca -0.27 -0.03 0.27 0.00 3.53 0.00 0.00 57.97 61.48 3kxk h PHE 328 Cb 1.11 -0.13 -0.12 0.00 2.79 0.00 0.00 35.95 39.60 3kxk h PHE 328 CO 0.61 0.43 0.74 0.34 -2.23 0.00 0.00 178.31 178.20 3kxk s ASP 329 N -5.71 -0.11 -0.22 0.41 2.15 -1.26 -5.04 116.67 106.89 3kxk s ASP 329 Ca -0.13 -0.17 -0.04 0.00 0.43 0.00 0.00 52.55 52.64 3kxk s ASP 329 Cb 0.09 0.24 0.08 0.00 -0.30 0.00 0.00 42.92 43.02 3kxk s ASP 329 CO 0.73 -0.43 0.09 -0.69 -0.17 0.00 0.00 175.17 174.70 3kxk s VAL 330 N -2.64 0.11 0.01 1.11 1.01 -1.26 -1.59 120.40 117.15 3kxk s VAL 330 Ca 0.13 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.66 3kxk s VAL 330 Cb 0.02 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 3kxk s VAL 330 CO -0.03 -0.43 -0.21 0.27 0.00 0.00 0.00 175.10 174.70 3kxk s ILE 331 N 2.03 1.66 0.23 2.22 -4.36 -0.75 -4.99 121.20 117.25 3kxk s ILE 331 Ca 0.04 -1.03 -0.30 0.00 -0.26 0.00 0.00 60.65 59.10 3kxk s ILE 331 Cb -0.16 -1.41 -0.09 0.00 1.25 0.00 0.00 42.46 42.05 3kxk s ILE 331 CO -0.18 0.35 0.96 -2.84 0.24 0.00 0.00 174.94 173.47 3kxk s PRO 332 N -0.79 4.83 0.30 0.37 0.02 -1.26 -1.16 135.00 137.30 3kxk s PRO 332 Ca 0.08 1.51 -0.03 0.00 0.02 0.00 0.00 61.00 62.58 3kxk s PRO 332 Cb -0.08 -3.28 -0.01 0.00 0.02 0.00 0.00 34.50 31.14 3kxk s PRO 332 CO 0.00 0.47 0.39 0.96 -0.33 0.00 0.00 177.00 178.49 3kxk s ILE 333 N -1.07 0.00 -0.34 2.83 -4.36 0.39 -4.74 121.20 113.91 3kxk s ILE 333 Ca 0.42 -1.69 0.02 0.00 -0.26 0.00 0.00 60.65 59.14 3kxk s ILE 333 Cb -0.26 -2.51 0.15 0.00 1.25 0.00 0.00 42.46 41.09 3kxk s ILE 333 CO 0.33 0.00 0.35 -0.55 0.24 0.00 0.00 174.94 175.31 3kxk s SER 334 N -3.20 1.26 0.32 4.36 0.15 -0.95 -2.52 113.70 113.12 3kxk s SER 334 Ca 0.32 -1.24 0.08 0.00 0.70 0.00 0.00 55.95 55.81 3kxk s SER 334 Cb 0.01 0.59 0.81 0.00 -1.71 0.00 0.00 66.02 65.72 3kxk s SER 334 CO 0.17 -0.31 1.77 0.00 1.20 0.00 0.00 173.24 176.08 3kxk h ALA 335 N 7.51 1.76 0.14 5.45 0.00 -1.92 0.37 119.26 132.57 3kxk h ALA 335 Ca -0.02 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3kxk h ALA 335 Cb 1.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3kxk h ALA 335 CO 0.25 -0.16 -0.07 -0.07 0.00 0.00 0.00 179.25 179.20 3kxk h LEU 336 N 0.68 -0.16 -0.18 0.00 4.07 -1.96 -3.24 115.31 114.52 3kxk h LEU 336 Ca 0.59 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 58.22 3kxk h LEU 336 Cb 1.02 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.80 3kxk h LEU 336 CO -0.39 0.27 -0.08 0.29 -1.08 0.00 0.00 178.44 177.46 3kxk n LYS 337 N -4.98 0.65 -0.95 1.13 4.76 -0.89 -4.89 118.16 112.99 3kxk n LYS 337 Ca -0.09 -0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.17 3kxk n LYS 337 Cb 0.25 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 3kxk n LYS 337 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3kxk n ARG 338 N -1.02 -0.81 -1.69 1.97 1.74 0.12 -4.94 116.66 112.03 3kxk n ARG 338 Ca 0.15 0.20 -0.43 0.00 -0.77 0.00 0.00 57.85 57.00 3kxk n ARG 338 Cb 0.26 -3.90 -0.03 0.00 -1.02 0.00 0.00 32.46 27.77 3kxk n ARG 338 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3kxk n THR 339 N -2.41 0.28 -0.90 0.55 -1.04 -1.06 -1.88 114.28 107.81 3kxk n THR 339 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3kxk n THR 339 Cb 0.20 -2.06 0.00 0.00 -1.82 0.00 0.00 70.33 66.65 3kxk n THR 339 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3kxk n ASN 340 N 5.21 -3.20 0.17 8.00 4.13 -1.26 -2.24 115.26 126.07 3kxk n ASN 340 Ca 0.18 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.48 3kxk n ASN 340 Cb 0.36 -2.05 0.48 0.00 -1.54 0.00 0.00 39.78 37.03 3kxk n ASN 340 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 3kxk h LEU 341 N 0.00 0.14 -0.64 3.41 3.38 -1.73 0.18 115.31 120.05 3kxk h LEU 341 Ca 0.00 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 3kxk h LEU 341 Cb 0.40 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3kxk h LEU 341 CO 0.00 0.24 -0.38 -0.33 0.09 0.00 0.00 178.44 178.06 3kxk h GLU 342 N 0.15 0.64 -0.48 1.13 4.39 -1.89 0.30 114.58 118.82 3kxk h GLU 342 Ca 0.03 -0.32 -0.09 0.00 0.34 0.00 0.00 59.36 59.33 3kxk h GLU 342 Cb 0.23 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 3kxk h GLU 342 CO 0.01 0.92 -0.04 1.25 -1.16 0.00 0.00 179.01 179.99 3kxk h LEU 343 N 0.53 0.87 -0.26 1.33 5.85 -1.70 -2.07 115.31 119.86 3kxk h LEU 343 Ca 0.05 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.46 3kxk h LEU 343 Cb 0.89 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3kxk h LEU 343 CO 0.08 0.99 0.11 0.25 -0.34 0.00 0.00 178.44 179.53 3kxk h LEU 344 N 0.73 0.15 -0.77 2.25 5.85 -0.74 -0.61 115.31 122.17 3kxk h LEU 344 Ca 0.13 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.98 3kxk h LEU 344 Cb 0.57 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 3kxk h LEU 344 CO 0.03 0.12 0.39 0.03 -0.34 0.00 0.00 178.44 178.67 3kxk h ARG 345 N 0.25 0.60 -0.41 1.25 3.08 -0.80 0.20 114.38 118.54 3kxk h ARG 345 Ca 0.11 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3kxk h ARG 345 Cb 0.05 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3kxk h ARG 345 CO -0.09 0.39 0.17 -0.44 -1.07 0.00 0.00 179.97 178.93 3kxk h ASP 346 N 0.61 0.57 -0.33 7.04 3.32 -0.76 -1.30 116.42 125.57 3kxk h ASP 346 Ca 0.40 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 57.20 3kxk h ASP 346 Cb 0.48 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3kxk h ASP 346 CO -0.31 0.57 -0.06 0.11 -1.72 0.00 0.00 179.24 177.83 3kxk h LYS 347 N 0.52 0.73 -0.43 3.56 1.79 -0.22 0.04 116.57 122.57 3kxk h LYS 347 Ca 0.14 -0.21 -0.06 0.00 -2.18 0.00 0.00 60.65 58.33 3kxk h LYS 347 Cb 0.18 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 3kxk h LYS 347 CO -0.01 0.78 0.02 0.82 -1.08 0.00 0.00 179.45 179.98 3kxk h ILE 348 N 0.67 1.22 -0.09 1.86 1.08 -0.41 -1.18 117.51 120.66 3kxk h ILE 348 Ca 0.12 -0.89 -0.04 0.00 -0.39 0.00 0.00 64.86 63.66 3kxk h ILE 348 Cb 0.51 0.88 -0.00 0.00 -3.07 0.00 0.00 36.82 35.14 3kxk h ILE 348 CO 0.03 0.31 -0.10 0.22 -0.69 0.00 0.00 178.15 177.92 3kxk h TYR 349 N 0.65 0.28 -0.76 1.37 3.20 -0.62 0.14 116.97 121.24 3kxk h TYR 349 Ca 0.13 -0.09 0.08 0.00 3.14 0.00 0.00 58.73 62.00 3kxk h TYR 349 Cb 0.38 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 3kxk h TYR 349 CO 0.02 0.66 0.50 1.96 -1.64 0.00 0.00 178.16 179.66 3kxk h GLN 350 N -0.19 0.72 -0.18 1.82 4.20 -0.87 0.28 115.11 120.90 3kxk h GLN 350 Ca 0.01 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.51 3kxk h GLN 350 Cb 0.62 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 28.24 3kxk h GLN 350 CO 0.02 0.48 -0.56 1.25 -0.67 0.00 0.00 178.83 179.35 3kxk h LEU 351 N 0.74 0.80 -0.28 1.46 5.85 -1.11 -2.10 115.31 120.68 3kxk h LEU 351 Ca 0.34 -0.59 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 3kxk h LEU 351 Cb 0.34 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3kxk h LEU 351 CO -0.12 1.26 0.13 0.00 -0.34 0.00 0.00 178.44 179.36 3kxk h ALA 352 N 0.57 0.36 -0.76 1.25 0.00 0.04 -2.56 119.26 118.16 3kxk h ALA 352 Ca -0.02 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.85 3kxk h ALA 352 Cb 1.18 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 3kxk h ALA 352 CO 0.12 -0.07 0.45 1.15 0.00 0.00 0.00 179.25 180.90 3kxk h THR 353 N 0.31 1.00 0.00 0.00 2.02 -0.52 -3.49 112.91 112.23 3kxk h THR 353 Ca 0.09 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.00 3kxk h THR 353 Cb 0.14 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 3kxk h THR 353 CO -0.01 0.15 0.00 1.67 0.37 0.00 0.00 175.52 177.70