#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxk s LYS 2 N 0.00 3.94 0.25 2.12 1.02 -1.22 -4.91 119.74 120.93 3kxk s LYS 2 Ca 0.00 0.43 -0.00 0.00 0.02 0.00 0.00 55.97 56.41 3kxk s LYS 2 Cb 0.00 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.25 3kxk s LYS 2 CO 0.00 0.55 0.44 0.95 -0.92 0.00 0.00 175.35 176.37 3kxk s THR 3 N -1.36 5.17 -0.11 2.17 -4.23 -1.26 -0.12 115.64 115.90 3kxk s THR 3 Ca 0.34 -0.39 -0.16 0.00 -1.18 0.00 0.00 61.69 60.30 3kxk s THR 3 Cb -0.15 -3.77 0.04 0.00 1.34 0.00 0.00 72.50 69.95 3kxk s THR 3 CO 0.18 -0.29 0.42 0.00 -0.54 0.00 0.00 174.62 174.39 3kxk s ALA 4 N -2.00 -1.04 -0.28 3.99 0.00 -1.03 -2.20 121.76 119.19 3kxk s ALA 4 Ca 0.39 0.98 -0.11 0.00 0.00 0.00 0.00 51.96 53.22 3kxk s ALA 4 Cb -0.10 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 3kxk s ALA 4 CO 0.31 -0.23 0.19 0.00 0.00 0.00 0.00 175.76 176.02 3kxk s ALA 5 N -0.31 3.52 -0.26 0.00 0.00 -0.88 -2.30 121.76 121.53 3kxk s ALA 5 Ca -0.05 -1.09 -0.09 0.00 0.00 0.00 0.00 51.96 50.74 3kxk s ALA 5 Cb -0.03 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 3kxk s ALA 5 CO 0.02 -0.55 0.11 -1.17 0.00 0.00 0.00 175.76 174.18 3kxk s LEU 6 N 1.76 3.64 -0.31 0.00 2.96 -0.40 -1.50 118.68 124.83 3kxk s LEU 6 Ca 0.07 -0.15 -0.11 0.00 -0.22 0.00 0.00 54.13 53.73 3kxk s LEU 6 Cb -0.16 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 3kxk s LEU 6 CO 0.11 -0.04 0.18 -0.36 -1.32 0.00 0.00 176.35 174.92 3kxk s PHE 7 N 1.66 3.19 -0.08 5.38 0.08 -0.39 0.15 117.98 127.97 3kxk s PHE 7 Ca 0.07 -0.28 -0.30 0.00 0.12 0.00 0.00 56.93 56.53 3kxk s PHE 7 Cb -0.15 -2.39 0.08 0.00 -0.57 0.00 0.00 43.02 39.99 3kxk s PHE 7 CO 0.06 -0.35 0.73 0.54 -0.10 0.00 0.00 175.22 176.11 3kxk s VAL 8 N 1.68 0.00 0.88 -0.44 0.11 0.17 -0.76 120.40 122.05 3kxk s VAL 8 Ca 0.06 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.99 3kxk s VAL 8 Cb -0.17 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 33.80 3kxk s VAL 8 CO 0.08 0.00 1.09 -0.94 -3.33 0.00 0.00 175.10 172.01 3kxk s SER 9 N -1.05 3.63 0.25 3.54 1.04 -1.26 -3.58 113.70 116.27 3kxk s SER 9 Ca -0.09 1.47 -0.00 0.00 0.48 0.00 0.00 55.95 57.81 3kxk s SER 9 Cb -0.00 -2.16 0.32 0.00 0.10 0.00 0.00 66.02 64.28 3kxk s SER 9 CO 0.08 -2.54 1.69 0.11 0.98 0.00 0.00 173.24 173.56 3kxk h LYS 10 N -1.48 0.60 0.00 4.02 1.79 -1.99 -0.12 116.57 119.40 3kxk h LYS 10 Ca -0.49 -0.23 -0.07 0.00 -2.18 0.00 0.00 60.65 57.68 3kxk h LYS 10 Cb 1.28 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.89 3kxk h LYS 10 CO 0.55 0.79 -0.31 1.05 -1.08 0.00 0.00 179.45 180.45 3kxk h GLU 11 N 0.53 0.00 -0.01 3.15 4.11 -2.06 -3.05 114.58 117.26 3kxk h GLU 11 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.51 3kxk h GLU 11 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3kxk h GLU 11 CO 0.05 0.31 -0.18 1.19 0.07 0.00 0.00 179.01 180.45 3kxk n PHE 12 N -3.48 0.00 0.16 2.06 3.72 -1.14 -4.68 117.46 114.10 3kxk n PHE 12 Ca -0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 3kxk n PHE 12 Cb 0.47 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.95 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 2.29 -0.42 -0.54 -1.08 4.81 -0.89 0.16 114.58 118.91 3kxk h GLU 13 Ca 0.00 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 3kxk h GLU 13 Cb 0.58 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.00 3kxk h GLU 13 CO 0.00 -0.28 0.28 1.49 -0.73 0.00 0.00 179.01 179.77 3kxk h GLU 14 N -0.44 0.52 -0.45 1.92 4.81 -1.84 0.76 114.58 119.87 3kxk h GLU 14 Ca -0.01 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 3kxk h GLU 14 Cb 0.39 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3kxk h GLU 14 CO -0.02 0.35 -0.20 1.49 -0.73 0.00 0.00 179.01 179.89 3kxk h GLU 15 N 0.54 0.90 -0.36 1.92 4.81 -1.83 -2.76 114.58 117.81 3kxk h GLU 15 Ca 0.24 -0.37 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3kxk h GLU 15 Cb 0.15 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3kxk h GLU 15 CO -0.17 1.02 0.21 0.00 -0.73 0.00 0.00 179.01 179.34 3kxk h ALA 16 N 0.98 0.46 -0.32 2.92 0.00 0.17 -1.58 119.26 121.88 3kxk h ALA 16 Ca 0.11 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3kxk h ALA 16 Cb 0.75 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3kxk h ALA 16 CO 0.06 -0.03 0.14 0.82 0.00 0.00 0.00 179.25 180.24 3kxk h ILE 17 N 0.46 0.96 -0.66 0.00 2.04 -0.82 0.38 117.51 119.87 3kxk h ILE 17 Ca 0.13 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 3kxk h ILE 17 Cb 0.03 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3kxk h ILE 17 CO -0.02 0.05 0.37 0.00 0.00 0.00 0.00 178.15 178.55 3kxk h ALA 18 N 1.18 0.84 -0.36 1.87 0.00 -1.30 0.00 119.26 121.50 3kxk h ALA 18 Ca 0.14 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3kxk h ALA 18 Cb 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3kxk h ALA 18 CO -0.12 0.35 0.01 -0.07 0.00 0.00 0.00 179.25 179.43 3kxk h LEU 19 N 0.90 0.61 -0.26 0.00 3.38 -0.98 0.02 115.31 118.98 3kxk h LEU 19 Ca 0.23 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3kxk h LEU 19 Cb 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3kxk h LEU 19 CO -0.04 0.76 0.13 0.58 0.09 0.00 0.00 178.44 179.96 3kxk h VAL 20 N 0.44 1.14 -0.09 1.22 2.07 -0.70 -1.98 116.25 118.35 3kxk h VAL 20 Ca 0.10 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 3kxk h VAL 20 Cb 0.44 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3kxk h VAL 20 CO 0.02 0.14 -0.21 -0.33 0.02 0.00 0.00 177.57 177.20 3kxk h GLU 21 N 0.29 0.15 0.00 1.57 5.08 -0.95 -1.12 114.58 119.60 3kxk h GLU 21 Ca 0.09 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3kxk h GLU 21 Cb 0.10 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3kxk h GLU 21 CO -0.01 0.36 -0.05 0.78 -1.00 0.00 0.00 179.01 179.09 3kxk h GLY 22 N 0.82 0.00 -2.39 -3.84 0.00 -0.51 -1.64 103.07 95.51 3kxk h GLY 22 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3kxk h GLY 22 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.57 3kxk n ALA 23 N -2.14 3.24 -3.11 3.60 0.00 -0.44 -4.89 120.51 116.77 3kxk n ALA 23 Ca -0.00 -1.06 -0.14 0.00 0.00 0.00 0.00 53.44 52.23 3kxk n ALA 23 Cb 0.28 -1.07 0.05 0.00 0.00 0.00 0.00 19.45 18.72 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 0.38 -3.83 -4.28 0.00 3.02 -0.62 -5.03 115.26 104.90 3kxk n ASN 24 Ca 0.16 -0.37 -0.28 0.00 -0.03 0.00 0.00 54.58 54.06 3kxk n ASN 24 Cb 0.76 -3.46 -0.15 0.00 -0.61 0.00 0.00 39.78 36.32 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 -3.22 2.04 -0.37 3.10 2.02 -1.09 -3.46 117.35 116.37 3kxk s TYR 25 Ca 0.24 -0.39 -0.11 0.00 -0.37 0.00 0.00 57.07 56.44 3kxk s TYR 25 Cb -0.11 -1.26 0.03 0.00 -0.40 0.00 0.00 41.96 40.22 3kxk s TYR 25 CO 0.47 0.05 0.21 0.15 -1.57 0.00 0.00 175.55 174.87 3kxk s LYS 26 N -0.95 2.86 -0.45 -0.62 1.02 0.83 -3.86 119.74 118.58 3kxk s LYS 26 Ca 0.09 -1.06 -0.28 0.00 0.02 0.00 0.00 55.97 54.74 3kxk s LYS 26 Cb -0.09 -3.74 -0.01 0.00 -0.52 0.00 0.00 37.83 33.46 3kxk s LYS 26 CO 0.01 -0.69 1.73 0.08 -0.92 0.00 0.00 175.35 175.56 3kxk s VAL 27 N 1.57 3.53 -0.04 3.17 1.01 -1.26 -2.48 120.40 125.90 3kxk s VAL 27 Ca 0.02 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.48 3kxk s VAL 27 Cb -0.19 -3.88 -0.26 0.00 0.00 0.00 0.00 36.38 32.05 3kxk s VAL 27 CO 0.07 -0.68 0.69 0.71 0.00 0.00 0.00 175.10 175.89 3kxk h THR 28 N 6.75 0.94 -3.93 3.92 1.35 -1.85 -3.48 112.91 116.61 3kxk h THR 28 Ca -0.30 -2.66 -0.24 0.00 -0.55 0.00 0.00 66.41 62.66 3kxk h THR 28 Cb 1.15 2.61 -0.23 0.00 -1.73 0.00 0.00 68.15 69.95 3kxk h THR 28 CO 1.11 0.76 -0.72 -0.94 -0.25 0.00 0.00 175.52 175.47 3kxk s SER 29 N -6.76 0.50 -0.05 5.36 1.04 -1.24 -5.08 113.70 107.46 3kxk s SER 29 Ca -0.11 -0.40 0.02 0.00 0.48 0.00 0.00 55.95 55.94 3kxk s SER 29 Cb 0.07 0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.24 3kxk s SER 29 CO 0.82 -0.18 -0.11 -0.63 0.98 0.00 0.00 173.24 174.13 3kxk s ILE 30 N -1.06 1.00 0.17 -1.02 1.01 -1.26 -1.27 121.20 118.77 3kxk s ILE 30 Ca -0.09 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 60.19 3kxk s ILE 30 Cb -0.08 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 3kxk s ILE 30 CO -0.00 0.32 -0.13 -0.31 0.00 0.00 0.00 174.94 174.81 3kxk s TYR 31 N 0.47 1.52 0.34 3.97 2.02 0.12 -4.97 117.35 120.82 3kxk s TYR 31 Ca -0.09 -0.63 -0.00 0.00 -0.37 0.00 0.00 57.07 55.97 3kxk s TYR 31 Cb -0.13 -0.74 -0.04 0.00 -0.40 0.00 0.00 41.96 40.66 3kxk s TYR 31 CO 0.02 0.23 0.55 -1.59 -1.57 0.00 0.00 175.55 173.20 3kxk s LYS 32 N -3.51 3.51 0.35 -0.62 -2.85 -1.25 -0.65 119.74 114.71 3kxk s LYS 32 Ca 0.18 -0.27 -0.29 0.00 -1.00 0.00 0.00 55.97 54.60 3kxk s LYS 32 Cb -0.00 -2.65 -0.11 0.00 -2.06 0.00 0.00 37.83 33.00 3kxk s LYS 32 CO 0.04 0.15 1.53 -0.51 0.10 0.00 0.00 175.35 176.66 3kxk s LEU 33 N -4.20 4.32 0.28 2.77 1.43 -1.24 -4.61 118.68 117.44 3kxk s LEU 33 Ca 0.41 3.04 -0.30 0.00 -1.03 0.00 0.00 54.13 56.25 3kxk s LEU 33 Cb -0.10 -3.66 -0.12 0.00 0.03 0.00 0.00 46.19 42.34 3kxk s LEU 33 CO 0.35 -0.90 1.51 -2.65 0.23 0.00 0.00 176.35 174.89 3kxk n PRO 34 N 0.94 2.44 -0.11 1.29 -0.02 -1.26 -4.91 135.00 133.37 3kxk n PRO 34 Ca 0.03 0.87 -0.08 0.00 -2.02 0.00 0.00 63.50 62.30 3kxk n PRO 34 Cb 0.39 -2.60 -0.02 0.00 -0.02 0.00 0.00 33.50 31.24 3kxk n PRO 34 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3kxk h LYS 35 N 4.40 -0.27 -4.25 -0.52 3.64 -1.99 -3.35 116.57 114.24 3kxk h LYS 35 Ca -0.46 0.02 -0.62 0.00 -1.27 0.00 0.00 60.65 58.31 3kxk h LYS 35 Cb 1.25 0.06 -0.39 0.00 -0.41 0.00 0.00 32.23 32.73 3kxk h LYS 35 CO 0.77 -0.18 -0.75 -1.54 -2.27 0.00 0.00 179.45 175.47 3kxk s SER 36 N -5.06 4.30 0.35 4.20 1.04 -1.26 -5.11 113.70 112.16 3kxk s SER 36 Ca -0.15 -1.73 -0.25 0.00 0.48 0.00 0.00 55.95 54.30 3kxk s SER 36 Cb 0.13 -1.27 -0.13 0.00 0.10 0.00 0.00 66.02 64.84 3kxk s SER 36 CO 0.67 -0.35 0.71 -2.65 0.98 0.00 0.00 173.24 172.60 3kxk n PRO 37 N 4.55 0.77 -2.35 4.02 -0.02 -1.26 -4.87 135.00 135.85 3kxk n PRO 37 Ca -0.02 0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 61.31 3kxk n PRO 37 Cb 0.42 -1.57 -0.03 0.00 -0.02 0.00 0.00 33.50 32.31 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 -0.83 6.96 0.40 2.55 3.84 0.20 -4.87 114.94 123.19 3kxk s ASN 38 Ca 0.62 1.97 0.18 0.00 0.21 0.00 0.00 52.86 55.85 3kxk s ASN 38 Cb -0.68 -2.56 1.10 0.00 -0.55 0.00 0.00 41.25 38.56 3kxk s ASN 38 CO 0.58 -0.64 1.78 0.58 -2.79 0.00 0.00 177.10 176.62 3kxk h VAL 39 N 4.91 0.55 0.00 -5.21 2.07 -1.89 0.31 116.25 116.99 3kxk h VAL 39 Ca -0.37 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3kxk h VAL 39 Cb 1.17 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3kxk h VAL 39 CO 0.88 0.07 -0.34 1.17 0.02 0.00 0.00 177.57 179.38 3kxk n LYS 40 N -4.61 0.30 0.00 1.57 3.00 -1.26 -4.66 118.16 112.50 3kxk n LYS 40 Ca 0.24 0.44 0.09 0.00 -0.00 0.00 0.00 58.31 59.08 3kxk n LYS 40 Cb 0.85 -1.38 0.03 0.00 0.00 0.00 0.00 35.03 34.54 3kxk n LYS 40 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3kxk n PHE 41 N -3.82 0.00 0.00 5.64 3.72 -1.23 -4.53 117.46 117.24 3kxk n PHE 41 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3kxk n PHE 41 Cb 0.17 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 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 0.37 0.00 -2.89 1.38 9.36 0.11 -4.84 117.16 120.66 3kxk n TYR 42 Ca 0.08 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.98 3kxk n TYR 42 Cb 0.39 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.05 3kxk n TYR 42 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3kxk s ILE 43 N 0.00 4.57 0.14 2.97 1.01 -1.26 0.59 121.20 129.23 3kxk s ILE 43 Ca 0.00 1.13 -0.32 0.00 0.00 0.00 0.00 60.65 61.46 3kxk s ILE 43 Cb 0.00 -3.64 -0.12 0.00 0.01 0.00 0.00 42.46 38.72 3kxk s ILE 43 CO 0.00 -0.35 1.76 1.67 0.00 0.00 0.00 174.94 178.03 3kxk n GLN 44 N -0.76 2.64 -0.33 2.79 -0.06 -1.26 -4.72 117.38 115.68 3kxk n GLN 44 Ca 0.05 0.96 0.09 0.00 -2.00 0.00 0.00 57.00 56.10 3kxk n GLN 44 Cb 0.54 -2.82 0.26 0.00 -4.06 0.00 0.00 30.24 24.16 3kxk n GLN 44 CO 0.00 0.00 0.00 -0.92 -0.20 0.00 0.00 177.06 175.94 3kxk h TYR 45 N 7.62 0.98 -0.48 3.69 3.20 -1.95 -0.94 116.97 129.09 3kxk h TYR 45 Ca -0.45 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.45 3kxk h TYR 45 Cb 1.22 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 3kxk h TYR 45 CO 0.72 0.29 0.31 0.38 -1.64 0.00 0.00 178.16 178.22 3kxk h ASP 46 N 0.79 0.56 -0.29 -2.11 2.03 -2.00 -1.11 116.42 114.28 3kxk h ASP 46 Ca 0.51 -0.02 -0.08 0.00 -0.73 0.00 0.00 57.03 56.70 3kxk h ASP 46 Cb 0.67 -0.14 -0.02 0.00 -0.83 0.00 0.00 39.33 39.01 3kxk h ASP 46 CO -0.33 0.41 -0.09 0.50 -1.03 0.00 0.00 179.24 178.70 3kxk h LYS 47 N 0.65 0.70 -0.51 4.15 1.63 -1.60 -1.47 116.57 120.11 3kxk h LYS 47 Ca 0.17 -0.21 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 3kxk h LYS 47 Cb -0.06 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.48 3kxk h LYS 47 CO -0.04 0.77 0.29 1.25 -3.45 0.00 0.00 179.45 178.27 3kxk h LEU 48 N 0.64 0.64 -0.74 5.20 5.85 -0.74 -1.31 115.31 124.85 3kxk h LEU 48 Ca 0.12 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 3kxk h LEU 48 Cb 0.53 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3kxk h LEU 48 CO 0.03 0.54 0.04 1.56 -0.34 0.00 0.00 178.44 180.27 3kxk h GLN 49 N 0.68 1.00 -0.72 1.25 1.08 -0.93 0.17 115.11 117.65 3kxk h GLN 49 Ca 0.18 -0.29 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 3kxk h GLN 49 Cb 0.04 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.33 3kxk h GLN 49 CO -0.03 0.96 0.45 0.37 -0.95 0.00 0.00 178.83 179.63 3kxk h GLN 50 N 0.93 0.96 -0.01 1.46 4.15 -0.91 -1.31 115.11 120.36 3kxk h GLN 50 Ca 0.18 -0.07 -0.16 0.00 0.77 0.00 0.00 58.65 59.36 3kxk h GLN 50 Cb 0.49 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 3kxk h GLN 50 CO 0.02 0.66 -0.74 0.82 -1.93 0.00 0.00 178.83 177.66 3kxk h ILE 51 N 0.97 1.48 -0.49 2.39 2.04 -1.03 -2.76 117.51 120.11 3kxk h ILE 51 Ca 0.26 -2.41 -0.03 0.00 1.00 0.00 0.00 64.86 63.69 3kxk h ILE 51 Cb -0.07 2.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 3kxk h ILE 51 CO -0.05 0.70 0.19 0.50 0.00 0.00 0.00 178.15 179.48 3kxk h LYS 52 N 0.07 0.70 -0.03 2.37 3.64 0.03 -2.85 116.57 120.50 3kxk h LYS 52 Ca -0.02 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3kxk h LYS 52 Cb 1.30 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3kxk h LYS 52 CO 0.10 0.58 -0.03 0.09 -2.27 0.00 0.00 179.45 177.93 3kxk n ASN 53 N -4.35 2.70 -4.44 4.20 3.02 -0.56 -4.82 115.26 111.01 3kxk n ASN 53 Ca 0.04 -1.89 -0.44 0.00 -0.03 0.00 0.00 54.58 52.27 3kxk n ASN 53 Cb 0.16 0.03 -0.05 0.00 -0.61 0.00 0.00 39.78 39.31 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 -2.03 6.21 0.58 6.41 -1.08 -1.05 -4.89 116.67 120.82 3kxk s ASP 54 Ca 0.29 -1.01 0.38 0.00 -0.52 0.00 0.00 52.55 51.68 3kxk s ASP 54 Cb 0.20 -2.36 1.81 0.00 -1.46 0.00 0.00 42.92 41.11 3kxk s ASP 54 CO 0.32 -1.20 2.13 -0.33 0.52 0.00 0.00 175.17 176.61 3kxk h GLU 55 N 9.30 0.00 0.00 4.34 5.08 -1.87 -1.39 114.58 130.04 3kxk h GLU 55 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3kxk h GLU 55 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3kxk h GLU 55 CO 1.10 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 179.50 3kxk n GLU 56 N -3.03 0.98 -3.90 2.33 1.02 -1.26 -4.58 120.64 112.20 3kxk n GLU 56 Ca -0.01 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.85 3kxk n GLU 56 Cb 0.20 -1.22 -0.17 0.00 -0.02 0.00 0.00 31.44 30.23 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 -2.00 1.11 -0.15 -3.67 1.01 -0.53 -4.81 121.20 112.17 3kxk s ILE 57 Ca 0.20 -0.58 0.08 0.00 0.00 0.00 0.00 60.65 60.36 3kxk s ILE 57 Cb 0.09 -1.25 -0.23 0.00 0.01 0.00 0.00 42.46 41.08 3kxk s ILE 57 CO 0.16 0.18 0.25 -1.54 0.00 0.00 0.00 174.94 173.98 3kxk n SER 58 N 4.88 1.09 -3.99 3.58 3.41 -1.19 -4.87 113.62 116.54 3kxk n SER 58 Ca -0.12 0.14 -0.17 0.00 -0.26 0.00 0.00 58.87 58.46 3kxk n SER 58 Cb 0.48 0.02 -0.14 0.00 -0.26 0.00 0.00 64.21 64.31 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 -2.54 0.55 -0.22 6.66 2.01 -0.93 -3.58 115.64 117.58 3kxk s THR 59 Ca -0.16 -0.34 -0.11 0.00 0.31 0.00 0.00 61.69 61.39 3kxk s THR 59 Cb 0.07 -0.47 -0.05 0.00 0.01 0.00 0.00 72.50 72.06 3kxk s THR 59 CO 0.77 0.12 0.17 -0.22 -0.69 0.00 0.00 174.62 174.77 3kxk s LEU 60 N -0.24 4.16 -0.20 4.42 2.96 -0.31 -2.08 118.68 127.40 3kxk s LEU 60 Ca 0.02 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.15 3kxk s LEU 60 Cb -0.03 -2.14 0.05 0.00 0.50 0.00 0.00 46.19 44.56 3kxk s LEU 60 CO -0.00 0.11 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.41 3kxk s ILE 61 N 0.75 1.58 -0.28 6.68 1.01 -0.56 -0.35 121.20 130.03 3kxk s ILE 61 Ca 0.09 -1.01 -0.08 0.00 0.00 0.00 0.00 60.65 59.65 3kxk s ILE 61 Cb -0.13 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 3kxk s ILE 61 CO 0.02 0.12 0.09 -0.63 0.00 0.00 0.00 174.94 174.55 3kxk s ILE 62 N 1.42 4.24 -1.52 2.92 1.01 0.74 -1.26 121.20 128.75 3kxk s ILE 62 Ca -0.02 -0.44 -0.11 0.00 0.00 0.00 0.00 60.65 60.07 3kxk s ILE 62 Cb -0.17 -3.11 -0.01 0.00 0.01 0.00 0.00 42.46 39.19 3kxk s ILE 62 CO -0.08 0.17 2.55 0.33 0.00 0.00 0.00 174.94 177.91 3kxk n PHE 63 N 4.92 2.96 -3.51 3.97 7.35 0.06 -2.45 117.46 130.75 3kxk n PHE 63 Ca -0.15 -3.01 -0.09 0.00 -0.76 0.00 0.00 57.45 53.44 3kxk n PHE 63 Cb 0.49 -2.46 -0.02 0.00 0.35 0.00 0.00 39.48 37.85 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 2.34 0.89 -0.27 -4.13 0.41 -1.26 -4.83 118.70 111.85 3kxk s GLU 64 Ca 0.57 -0.34 -0.28 0.00 -0.41 0.00 0.00 54.97 54.51 3kxk s GLU 64 Cb 0.16 0.40 0.01 0.00 -1.78 0.00 0.00 34.13 32.92 3kxk s GLU 64 CO -0.07 -0.39 1.01 -1.14 -0.49 0.00 0.00 175.26 174.17 3kxk s GLN 65 N -3.20 4.15 0.20 1.61 0.74 -1.26 -2.42 119.66 119.48 3kxk s GLN 65 Ca 0.05 1.13 -0.09 0.00 0.05 0.00 0.00 55.36 56.49 3kxk s GLN 65 Cb -0.01 -3.69 -0.07 0.00 1.10 0.00 0.00 33.01 30.34 3kxk s GLN 65 CO -0.09 -0.73 0.52 -0.51 -0.55 0.00 0.00 175.29 173.93 3kxk s LEU 66 N 3.32 4.20 0.48 3.68 1.43 -1.26 -5.05 118.68 125.48 3kxk s LEU 66 Ca 0.42 0.89 -0.20 0.00 -1.03 0.00 0.00 54.13 54.22 3kxk s LEU 66 Cb -0.14 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.43 3kxk s LEU 66 CO 0.10 -0.03 1.01 -0.54 0.23 0.00 0.00 176.35 177.12 3kxk s LYS 67 N -2.67 3.89 0.47 1.70 1.02 -1.26 -4.93 119.74 117.96 3kxk s LYS 67 Ca 0.45 1.24 0.23 0.00 0.02 0.00 0.00 55.97 57.92 3kxk s LYS 67 Cb -0.12 -2.12 1.26 0.00 -0.52 0.00 0.00 37.83 36.34 3kxk s LYS 67 CO 0.21 -0.34 1.88 -1.35 -0.92 0.00 0.00 175.35 174.84 3kxk h PRO 68 N 1.50 0.21 -0.55 -1.68 0.11 -1.94 0.98 132.00 130.63 3kxk h PRO 68 Ca -0.49 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.69 3kxk h PRO 68 Cb 1.21 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 3kxk h PRO 68 CO 0.60 0.14 0.21 -0.09 -0.21 0.00 0.00 178.00 178.64 3kxk h ARG 69 N 0.22 0.38 -0.12 1.05 2.43 -1.92 -2.22 114.38 114.19 3kxk h ARG 69 Ca 0.43 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.55 3kxk h ARG 69 Cb 1.34 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3kxk h ARG 69 CO -0.10 0.25 -0.02 0.45 -1.51 0.00 0.00 179.97 179.05 3kxk h HIS 70 N 0.39 0.25 -0.66 2.20 3.86 -1.04 -2.21 115.15 117.94 3kxk h HIS 70 Ca 0.27 -0.05 0.12 0.00 -1.16 0.00 0.00 60.37 59.55 3kxk h HIS 70 Cb 0.29 -0.06 -0.09 0.00 1.06 0.00 0.00 27.41 28.62 3kxk h HIS 70 CO -0.16 0.50 0.21 0.74 0.86 0.00 0.00 177.93 180.08 3kxk h PHE 71 N -0.07 0.36 0.60 2.45 0.04 -1.36 0.96 116.94 119.92 3kxk h PHE 71 Ca 0.03 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.81 3kxk h PHE 71 Cb 0.41 -0.06 0.01 0.00 2.20 0.00 0.00 35.95 38.51 3kxk h PHE 71 CO 0.04 0.03 -0.29 0.82 -0.60 0.00 0.00 178.31 178.32 3kxk h ILE 72 N 0.36 0.39 -0.91 -0.55 2.04 -1.28 -0.46 117.51 117.10 3kxk h ILE 72 Ca 0.35 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 66.11 3kxk h ILE 72 Cb 0.50 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3kxk h ILE 72 CO -0.38 0.01 0.55 0.78 0.00 0.00 0.00 178.15 179.11 3kxk h ASN 73 N -0.87 1.10 -0.20 1.72 -0.26 -1.11 -2.33 115.58 113.64 3kxk h ASN 73 Ca -0.08 -0.07 -0.16 0.00 -0.56 0.00 0.00 56.30 55.43 3kxk h ASN 73 Cb 0.64 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.62 3kxk h ASN 73 CO 0.14 0.85 -0.45 0.40 -1.06 0.00 0.00 177.43 177.31 3kxk h ILE 74 N 1.26 1.29 -0.05 2.81 2.04 -0.78 -3.23 117.51 120.85 3kxk h ILE 74 Ca 0.33 -1.63 -0.14 0.00 1.00 0.00 0.00 64.86 64.42 3kxk h ILE 74 Cb -0.04 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3kxk h ILE 74 CO -0.06 0.53 -0.58 0.03 0.00 0.00 0.00 178.15 178.07 3kxk h ARG 75 N 0.61 0.17 0.00 2.37 3.08 -0.83 -2.15 114.38 117.63 3kxk h ARG 75 Ca 0.04 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3kxk h ARG 75 Cb 1.01 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.07 3kxk h ARG 75 CO 0.10 0.70 0.00 0.54 -1.07 0.00 0.00 179.97 180.24 3kxk n ARG 76 N -3.88 0.20 -0.12 0.04 1.74 -0.90 -2.53 116.66 111.21 3kxk n ARG 76 Ca -0.02 0.09 -0.18 0.00 -0.77 0.00 0.00 57.85 56.97 3kxk n ARG 76 Cb 0.59 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.42 3kxk n ARG 76 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kxk n GLU 77 N -1.36 0.61 -0.03 5.56 -0.58 -0.99 -4.67 120.64 119.18 3kxk n GLU 77 Ca 0.09 0.15 -0.14 0.00 -0.42 0.00 0.00 57.16 56.84 3kxk n GLU 77 Cb 0.21 -1.49 -0.10 0.00 -0.57 0.00 0.00 31.44 29.49 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 -0.11 0.19 0.00 -4.62 3.38 -1.39 -3.50 115.31 109.27 3kxk h LEU 78 Ca -0.57 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 56.77 3kxk h LEU 78 Cb 1.83 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.52 3kxk h LEU 78 CO -0.12 0.80 0.00 0.29 0.09 0.00 0.00 178.44 179.49 3kxk n LYS 79 N -4.62 -0.25 -1.15 1.13 5.02 -1.05 -5.03 118.16 112.21 3kxk n LYS 79 Ca -0.08 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3kxk n LYS 79 Cb 0.40 -4.29 0.00 0.00 -0.02 0.00 0.00 35.03 31.12 3kxk n LYS 79 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kxk n LYS 81 N -1.64 -0.94 -3.11 1.97 5.02 -1.26 -5.16 118.16 113.03 3kxk n LYS 81 Ca 0.00 0.70 -0.33 0.00 -2.02 0.00 0.00 58.31 56.66 3kxk n LYS 81 Cb 0.06 -1.19 -0.06 0.00 -0.02 0.00 0.00 35.03 33.82 3kxk n LYS 81 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3kxk s GLU 82 N -3.05 4.08 -0.10 1.97 0.41 -1.24 -4.95 118.70 115.83 3kxk s GLU 82 Ca 0.00 0.74 0.04 0.00 -0.41 0.00 0.00 54.97 55.34 3kxk s GLU 82 Cb 0.00 -2.53 -0.00 0.00 -1.78 0.00 0.00 34.13 29.82 3kxk s GLU 82 CO 0.00 0.20 -0.24 0.54 -0.49 0.00 0.00 175.26 175.28 3kxk s VAL 83 N -1.88 2.08 -0.06 2.63 0.11 -1.26 -1.16 120.40 120.86 3kxk s VAL 83 Ca 0.52 -1.01 0.03 0.00 -2.93 0.00 0.00 61.98 58.58 3kxk s VAL 83 Cb -0.12 -1.79 0.01 0.00 -1.53 0.00 0.00 36.38 32.95 3kxk s VAL 83 CO 0.18 0.56 -0.14 -0.76 -3.33 0.00 0.00 175.10 171.61 3kxk s LEU 84 N 0.32 1.73 0.00 2.54 1.43 0.53 -4.99 118.68 120.24 3kxk s LEU 84 Ca -0.18 -0.33 0.07 0.00 -1.03 0.00 0.00 54.13 52.66 3kxk s LEU 84 Cb -0.18 -0.90 0.07 0.00 0.03 0.00 0.00 46.19 45.22 3kxk s LEU 84 CO 0.09 0.06 0.60 -0.90 0.23 0.00 0.00 176.35 176.43 3kxk n ASP 85 N 3.67 1.59 -0.18 2.29 5.75 -1.26 -0.18 116.55 128.23 3kxk n ASP 85 Ca -0.22 -2.16 -0.01 0.00 -0.01 0.00 0.00 54.79 52.39 3kxk n ASP 85 Cb 0.52 -0.32 0.09 0.00 -1.03 0.00 0.00 41.12 40.38 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 0.32 0.16 0.11 3.64 -1.14 0.29 116.57 119.96 3kxk h LYS 86 Ca -0.20 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 3kxk h LYS 86 Cb 0.94 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 3kxk h LYS 86 CO 0.29 0.21 -0.08 0.82 -2.27 0.00 0.00 179.45 178.42 3kxk h ILE 87 N 0.33 0.91 -0.41 2.00 2.04 -1.91 -0.23 117.51 120.24 3kxk h ILE 87 Ca 0.28 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 3kxk h ILE 87 Cb 0.35 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3kxk h ILE 87 CO -0.31 0.08 0.05 -0.07 0.00 0.00 0.00 178.15 177.90 3kxk h LEU 88 N -0.37 0.59 0.20 1.44 3.38 -1.90 -1.21 115.31 117.43 3kxk h LEU 88 Ca -0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3kxk h LEU 88 Cb 0.29 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3kxk h LEU 88 CO 0.04 0.62 -0.10 0.25 0.09 0.00 0.00 178.44 179.34 3kxk h LEU 89 N 0.61 -0.23 -0.67 1.67 5.85 -0.72 -0.64 115.31 121.17 3kxk h LEU 89 Ca 0.13 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3kxk h LEU 89 Cb 0.30 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3kxk h LEU 89 CO 0.00 -0.05 0.44 -0.07 -0.34 0.00 0.00 178.44 178.42 3kxk h LEU 90 N -0.40 0.75 -0.88 2.25 3.38 -0.83 -0.37 115.31 119.20 3kxk h LEU 90 Ca -0.03 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3kxk h LEU 90 Cb 0.31 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3kxk h LEU 90 CO 0.05 0.54 0.41 -0.07 0.09 0.00 0.00 178.44 179.45 3kxk h LEU 91 N 0.89 1.10 -1.21 1.67 3.38 -1.16 0.28 115.31 120.25 3kxk h LEU 91 Ca 0.25 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3kxk h LEU 91 Cb -0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 3kxk h LEU 91 CO -0.07 0.92 -0.16 -0.08 0.09 0.00 0.00 178.44 179.14 3kxk h GLU 92 N 1.20 0.35 -0.21 1.13 4.81 -0.49 -1.78 114.58 119.59 3kxk h GLU 92 Ca 0.29 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 3kxk h GLU 92 Cb 0.11 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 3kxk h GLU 92 CO -0.04 0.51 -0.29 0.82 -0.73 0.00 0.00 179.01 179.29 3kxk h ILE 93 N 0.32 1.33 -0.83 2.32 2.04 -0.25 -3.08 117.51 119.35 3kxk h ILE 93 Ca 0.06 -1.48 0.01 0.00 1.00 0.00 0.00 64.86 64.44 3kxk h ILE 93 Cb 0.48 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 38.31 3kxk h ILE 93 CO 0.03 0.46 0.55 -0.26 0.00 0.00 0.00 178.15 178.93 3kxk h PHE 94 N 0.24 1.05 -0.57 1.37 0.04 -0.72 -2.40 116.94 115.95 3kxk h PHE 94 Ca 0.02 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.83 3kxk h PHE 94 Cb 0.86 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.63 3kxk h PHE 94 CO 0.08 0.66 0.38 0.00 -0.60 0.00 0.00 178.31 178.83 3kxk h ALA 95 N 1.30 1.63 -0.28 2.45 0.00 -1.32 0.33 119.26 123.38 3kxk h ALA 95 Ca 0.30 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 3kxk h ALA 95 Cb -0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3kxk h ALA 95 CO -0.07 0.33 -0.33 -0.07 0.00 0.00 0.00 179.25 179.11 3kxk h LEU 96 N 0.73 0.62 0.17 0.00 3.38 -1.35 -3.24 115.31 115.63 3kxk h LEU 96 Ca 0.22 -0.25 -0.29 0.00 0.09 0.00 0.00 57.88 57.65 3kxk h LEU 96 Cb -0.03 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 40.57 3kxk h LEU 96 CO -0.05 0.90 -1.36 0.45 0.09 0.00 0.00 178.44 178.48 3kxk h HIS 97 N 0.51 0.66 -2.15 1.13 3.86 -1.23 -3.47 115.15 114.46 3kxk h HIS 97 Ca 0.06 -0.48 -0.62 0.00 -1.16 0.00 0.00 60.37 58.17 3kxk h HIS 97 Cb 0.81 -0.03 0.06 0.00 1.06 0.00 0.00 27.41 29.32 3kxk h HIS 97 CO 0.03 1.53 0.62 0.00 0.86 0.00 0.00 177.93 180.97 3kxk n ALA 98 N -2.81 0.48 0.00 2.45 0.00 0.11 -4.88 120.51 115.85 3kxk n ALA 98 Ca -0.20 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3kxk n ALA 98 Cb 0.97 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3kxk n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kxk n GLY 99 N 2.81 0.34 3.87 0.00 0.00 -1.26 -4.93 105.19 106.02 3kxk n GLY 99 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.48 6.68 0.31 1.61 1.04 -1.26 -4.99 113.70 115.60 3kxk s SER 100 Ca 0.00 0.94 0.02 0.00 0.48 0.00 0.00 55.95 57.39 3kxk s SER 100 Cb 0.00 -2.24 0.52 0.00 0.10 0.00 0.00 66.02 64.40 3kxk s SER 100 CO 0.00 -0.00 1.86 0.50 0.98 0.00 0.00 173.24 176.58 3kxk h LYS 101 N 2.92 0.67 -0.31 4.02 3.64 -1.99 -1.94 116.57 123.58 3kxk h LYS 101 Ca -0.47 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 58.77 3kxk h LYS 101 Cb 1.18 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 3kxk h LYS 101 CO 0.68 0.63 0.18 1.49 -2.27 0.00 0.00 179.45 180.17 3kxk h GLU 102 N 0.64 0.42 0.09 1.90 4.81 -1.99 -0.56 114.58 119.89 3kxk h GLU 102 Ca 0.14 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3kxk h GLU 102 Cb 0.30 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3kxk h GLU 102 CO 0.00 0.33 -0.04 0.00 -0.73 0.00 0.00 179.01 178.57 3kxk h ALA 103 N 1.07 -0.12 -0.69 2.92 0.00 -1.82 0.48 119.26 121.10 3kxk h ALA 103 Ca 0.11 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.09 3kxk h ALA 103 Cb 0.02 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.75 3kxk h ALA 103 CO -0.02 -0.51 0.18 0.87 0.00 0.00 0.00 179.25 179.77 3kxk h LYS 104 N -0.22 0.29 -0.36 0.00 1.57 -1.23 0.12 116.57 116.75 3kxk h LYS 104 Ca -0.01 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.58 3kxk h LYS 104 Cb 0.18 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 3kxk h LYS 104 CO 0.02 0.19 -0.44 0.52 -0.57 0.00 0.00 179.45 179.17 3kxk h MET 105 N 0.30 0.93 -0.11 3.15 2.86 -0.85 0.12 114.93 121.32 3kxk h MET 105 Ca 0.38 -0.52 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3kxk h MET 105 Cb 0.60 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 3kxk h MET 105 CO -0.45 1.17 0.07 1.96 1.06 0.00 0.00 176.91 180.71 3kxk h GLN 106 N 0.74 0.15 0.23 1.72 1.08 -0.22 0.39 115.11 119.20 3kxk h GLN 106 Ca 0.05 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 3kxk h GLN 106 Cb 1.04 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.44 3kxk h GLN 106 CO 0.10 0.15 -0.12 0.82 -0.95 0.00 0.00 178.83 178.83 3kxk h ILE 107 N 0.11 0.74 -0.99 2.54 2.04 -0.72 -0.43 117.51 120.81 3kxk h ILE 107 Ca 0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.94 3kxk h ILE 107 Cb 0.04 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 3kxk h ILE 107 CO -0.01 0.00 0.65 -0.08 0.00 0.00 0.00 178.15 178.71 3kxk h GLU 108 N -0.33 1.20 0.32 2.37 4.57 -0.89 0.84 114.58 122.65 3kxk h GLU 108 Ca -0.03 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 3kxk h GLU 108 Cb 0.26 -0.27 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3kxk h GLU 108 CO 0.04 0.79 -0.15 1.25 -1.18 0.00 0.00 179.01 179.76 3kxk h LEU 109 N 1.24 -0.36 -0.89 1.64 5.85 0.09 0.18 115.31 123.06 3kxk h LEU 109 Ca 0.40 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.16 3kxk h LEU 109 Cb 0.03 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 3kxk h LEU 109 CO -0.13 -0.24 0.57 0.00 -0.34 0.00 0.00 178.44 178.30 3kxk h ALA 110 N 0.24 1.18 0.34 1.25 0.00 -0.67 0.47 119.26 122.08 3kxk h ALA 110 Ca -0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3kxk h ALA 110 Cb 0.34 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kxk h ALA 110 CO 0.07 0.42 -0.16 -0.09 0.00 0.00 0.00 179.25 179.49 3kxk h ARG 111 N 1.11 -0.44 -0.63 0.00 2.43 -0.63 0.26 114.38 116.47 3kxk h ARG 111 Ca 0.36 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.64 3kxk h ARG 111 Cb 0.02 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 3kxk h ARG 111 CO -0.12 -0.19 0.42 -0.07 -1.51 0.00 0.00 179.97 178.50 3kxk h LEU 112 N -0.65 0.47 0.51 3.80 3.38 -0.38 0.42 115.31 122.87 3kxk h LEU 112 Ca -0.05 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3kxk h LEU 112 Cb 0.46 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3kxk h LEU 112 CO 0.08 0.29 -0.24 0.11 0.09 0.00 0.00 178.44 178.77 3kxk h LYS 113 N 0.53 -0.66 -0.82 1.13 1.57 0.35 0.15 116.57 118.83 3kxk h LYS 113 Ca 0.29 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.13 3kxk h LYS 113 Cb 0.43 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 3kxk h LYS 113 CO -0.09 -0.38 0.54 -0.92 -0.57 0.00 0.00 179.45 178.03 3kxk h TYR 114 N -0.82 1.02 0.00 -1.35 3.20 0.54 -1.26 116.97 118.30 3kxk h TYR 114 Ca -0.07 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 3kxk h TYR 114 Cb 0.58 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 3kxk h TYR 114 CO -0.01 0.63 -0.15 0.93 -1.64 0.00 0.00 178.16 177.92 3kxk h GLU 115 N 1.09 0.00 0.80 1.82 4.39 -0.19 -3.14 114.58 119.35 3kxk h GLU 115 Ca 0.31 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.97 3kxk h GLU 115 Cb -0.09 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3kxk h GLU 115 CO -0.08 0.15 -0.39 1.25 -1.16 0.00 0.00 179.01 178.78 3kxk h LEU 116 N 0.00 -0.91 -0.83 1.33 7.12 0.56 0.97 115.31 123.54 3kxk h LEU 116 Ca -0.00 0.03 0.16 0.00 0.13 0.00 0.00 57.88 58.20 3kxk h LEU 116 Cb 0.76 0.24 -0.10 0.00 -0.53 0.00 0.00 40.66 41.02 3kxk h LEU 116 CO 0.02 -0.63 0.40 -0.65 -0.13 0.00 0.00 178.44 177.45 3kxk h PRO 117 N -1.12 0.53 0.18 5.25 0.11 -1.65 0.70 132.00 136.00 3kxk h PRO 117 Ca -0.11 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.98 3kxk h PRO 117 Cb 0.83 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.77 3kxk h PRO 117 CO 0.18 0.35 -0.48 0.82 -0.21 0.00 0.00 178.00 178.66 3kxk h ILE 118 N 0.55 0.07 0.00 4.15 2.04 -1.41 0.17 117.51 123.08 3kxk h ILE 118 Ca 0.47 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.25 3kxk h ILE 118 Cb 0.70 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3kxk h ILE 118 CO -0.39 0.00 -0.35 -0.29 0.00 0.00 0.00 178.15 177.11 3kxk h ILE 119 N -0.76 0.86 0.00 -0.67 2.10 -0.58 -2.77 117.51 115.70 3kxk h ILE 119 Ca -0.00 -1.44 0.00 0.00 1.08 0.00 0.00 64.86 64.49 3kxk h ILE 119 Cb 0.75 1.89 0.00 0.00 -1.09 0.00 0.00 36.82 38.37 3kxk h ILE 119 CO -0.24 0.35 0.00 0.50 -1.08 0.00 0.00 178.15 177.68 3kxk h LYS 120 N 0.00 0.00 -0.96 2.19 3.64 0.14 -1.79 116.57 119.79 3kxk h LYS 120 Ca -0.00 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.17 3kxk h LYS 120 Cb 0.86 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.56 3kxk h LYS 120 CO 0.05 0.00 0.26 -1.91 -2.27 0.00 0.00 179.45 175.58 3kxk n GLU 121 N -3.06 1.88 0.00 1.90 2.13 0.50 -5.02 120.64 118.97 3kxk n GLU 121 Ca 0.01 -1.50 0.00 0.00 0.66 0.00 0.00 57.16 56.33 3kxk n GLU 121 Cb 0.32 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.39 3kxk n GLU 121 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3kxk n THR 122 N -0.19 0.00 -2.99 6.31 -1.04 -0.68 -5.01 114.28 110.68 3kxk n THR 122 Ca 0.26 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.92 3kxk n THR 122 Cb 1.01 -0.45 -0.06 0.00 -1.82 0.00 0.00 70.33 69.00 3kxk n THR 122 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3kxk s ASN 177 N 0.59 7.09 -0.71 8.00 4.22 -1.26 -5.18 114.94 127.70 3kxk s ASN 177 Ca 0.00 1.54 -0.02 0.00 -2.14 0.00 0.00 52.86 52.24 3kxk s ASN 177 Cb 0.00 -2.47 0.00 0.00 1.28 0.00 0.00 41.25 40.06 3kxk s ASN 177 CO 0.00 -0.06 0.69 0.59 -2.04 0.00 0.00 177.10 176.27 3kxk n ASN 178 N 0.41 -7.74 -4.06 3.54 3.02 -1.26 -4.93 115.26 104.24 3kxk n ASN 178 Ca 0.01 -0.03 -0.33 0.00 -0.03 0.00 0.00 54.58 54.19 3kxk n ASN 178 Cb 0.51 -5.21 -0.13 0.00 -0.61 0.00 0.00 39.78 34.33 3kxk n ASN 178 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kxk s ILE 179 N -2.95 2.74 0.53 2.41 1.01 -1.26 -4.72 121.20 118.95 3kxk s ILE 179 Ca 0.03 -2.31 -0.20 0.00 0.00 0.00 0.00 60.65 58.17 3kxk s ILE 179 Cb -0.01 -2.94 -0.06 0.00 0.01 0.00 0.00 42.46 39.46 3kxk s ILE 179 CO 0.76 -0.66 1.12 -2.84 0.00 0.00 0.00 174.94 173.32 3kxk s PRO 180 N 0.90 3.46 -0.35 2.79 0.02 -1.26 -4.78 135.00 135.77 3kxk s PRO 180 Ca 0.10 1.58 -0.12 0.00 0.02 0.00 0.00 61.00 62.59 3kxk s PRO 180 Cb -0.21 -2.04 -0.00 0.00 0.02 0.00 0.00 34.50 32.27 3kxk s PRO 180 CO -0.06 -0.76 0.21 -1.12 -0.33 0.00 0.00 177.00 174.94 3kxk s SER 181 N -1.78 5.82 -0.42 2.53 0.01 -1.26 -1.41 113.70 117.19 3kxk s SER 181 Ca 0.71 -0.63 -0.09 0.00 1.31 0.00 0.00 55.95 57.26 3kxk s SER 181 Cb -0.23 -2.07 0.08 0.00 0.21 0.00 0.00 66.02 64.01 3kxk s SER 181 CO 0.26 -0.28 0.26 -0.63 0.41 0.00 0.00 173.24 173.26 3kxk s ILE 182 N 1.65 4.14 -0.01 1.44 -1.09 -0.27 -0.96 121.20 126.10 3kxk s ILE 182 Ca 0.05 -1.47 -0.28 0.00 -2.23 0.00 0.00 60.65 56.71 3kxk s ILE 182 Cb -0.18 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 3kxk s ILE 182 CO 0.08 -0.53 0.91 -0.83 -1.23 0.00 0.00 174.94 173.34 3kxk s GLY 183 N 2.12 2.84 -0.41 6.18 0.00 -0.57 -1.65 107.32 115.85 3kxk s GLY 183 Ca 0.03 0.44 -0.17 0.00 0.00 0.00 0.00 44.72 45.03 3kxk s GLY 183 CO 0.01 1.56 0.41 -0.42 0.00 0.00 0.00 173.10 174.66 3kxk s ILE 184 N 0.92 5.12 0.33 0.90 1.01 -0.05 -0.38 121.20 129.05 3kxk s ILE 184 Ca 0.48 -0.33 0.09 0.00 0.00 0.00 0.00 60.65 60.89 3kxk s ILE 184 Cb -0.20 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 3kxk s ILE 184 CO 0.26 -0.37 -0.00 0.68 0.00 0.00 0.00 174.94 175.51 3kxk s VAL 185 N 2.06 2.72 0.00 2.92 -7.23 -0.75 -3.19 120.40 116.93 3kxk s VAL 185 Ca 0.11 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 3kxk s VAL 185 Cb -0.17 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 33.99 3kxk s VAL 185 CO 0.13 -0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 3kxk n GLY 186 N -0.93 0.46 3.85 2.32 0.00 -1.26 -1.02 105.19 108.61 3kxk n GLY 186 Ca -0.04 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.48 3.19 -2.00 1.61 1.51 -1.26 -0.75 117.35 118.17 3kxk s TYR 187 Ca 0.00 1.16 0.08 0.00 -1.01 0.00 0.00 57.07 57.29 3kxk s TYR 187 Cb 0.00 -3.02 0.47 0.00 -0.11 0.00 0.00 41.96 39.31 3kxk s TYR 187 CO 0.00 -1.30 1.03 2.41 -1.11 0.00 0.00 175.55 176.58 3kxk n THR 188 N -3.11 0.00 -0.68 -0.71 -1.04 -1.25 -2.05 114.28 105.43 3kxk n THR 188 Ca 0.07 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.11 3kxk n THR 188 Cb 0.56 -0.35 0.04 0.00 -1.82 0.00 0.00 70.33 68.76 3kxk n THR 188 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3kxk n ASN 189 N -0.69 1.54 -0.39 8.00 6.94 -1.26 -4.70 115.26 124.71 3kxk n ASN 189 Ca 0.06 -2.13 0.13 0.00 -0.02 0.00 0.00 54.58 52.61 3kxk n ASN 189 Cb 0.03 -0.14 0.28 0.00 -2.36 0.00 0.00 39.78 37.59 3kxk n ASN 189 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 3kxk n SER 190 N -0.62 1.47 -0.02 0.53 3.41 -0.87 -4.72 113.62 112.81 3kxk n SER 190 Ca 0.04 -1.21 -0.00 0.00 -0.26 0.00 0.00 58.87 57.45 3kxk n SER 190 Cb 0.45 0.20 -0.00 0.00 -0.26 0.00 0.00 64.21 64.60 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 1.34 0.38 0.39 5.00 0.00 -1.26 -4.54 105.19 106.49 3kxk n GLY 191 Ca 0.12 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 -0.41 -0.72 1.61 1.57 -1.92 -1.66 116.57 115.04 3kxk h LYS 192 Ca -0.00 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.89 3kxk h LYS 192 Cb 0.41 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.74 3kxk h LYS 192 CO 0.00 -0.27 0.38 1.15 -0.57 0.00 0.00 179.45 180.14 3kxk h THR 193 N -0.42 0.87 -0.74 -0.16 2.02 -1.93 -0.21 112.91 112.34 3kxk h THR 193 Ca 0.04 -0.22 0.06 0.00 0.77 0.00 0.00 66.41 67.07 3kxk h THR 193 Cb 0.54 0.17 -0.06 0.00 -1.74 0.00 0.00 68.15 67.06 3kxk h THR 193 CO -0.43 0.12 0.43 0.28 0.37 0.00 0.00 175.52 176.29 3kxk h SER 194 N 0.64 0.64 -0.34 4.18 0.02 -1.87 0.12 113.55 116.94 3kxk h SER 194 Ca 0.35 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.29 3kxk h SER 194 Cb 0.34 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3kxk h SER 194 CO -0.25 0.41 0.08 0.25 -1.14 0.00 0.00 176.83 176.17 3kxk h LEU 195 N 0.77 0.53 -0.42 5.07 5.85 -0.16 -1.12 115.31 125.84 3kxk h LEU 195 Ca 0.33 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3kxk h LEU 195 Cb 0.20 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3kxk h LEU 195 CO -0.19 0.63 0.19 0.15 -0.34 0.00 0.00 178.44 178.89 3kxk h PHE 196 N 0.40 0.35 0.00 1.25 3.57 -0.50 -1.43 116.94 120.59 3kxk h PHE 196 Ca 0.11 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 3kxk h PHE 196 Cb 0.31 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3kxk h PHE 196 CO 0.02 0.17 -0.29 -0.91 -2.23 0.00 0.00 178.31 175.07 3kxk h ASN 197 N 0.39 0.00 -0.03 0.41 2.35 -0.61 -1.18 115.58 116.92 3kxk h ASN 197 Ca 0.18 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.79 3kxk h ASN 197 Cb 0.12 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.49 3kxk h ASN 197 CO -0.15 0.29 -0.53 0.28 -1.65 0.00 0.00 177.43 175.67 3kxk h SER 198 N 0.00 0.52 0.94 5.81 0.02 -0.61 0.30 113.55 120.53 3kxk h SER 198 Ca -0.00 -0.73 -0.06 0.00 -0.84 0.00 0.00 61.79 60.16 3kxk h SER 198 Cb 0.54 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 3kxk h SER 198 CO 0.04 1.17 -0.27 -0.07 -1.14 0.00 0.00 176.83 176.56 3kxk h LEU 199 N -0.09 0.00 0.10 5.07 3.38 -1.20 -3.26 115.31 119.32 3kxk h LEU 199 Ca -0.06 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.55 3kxk h LEU 199 Cb 1.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 3kxk h LEU 199 CO 0.11 0.27 -2.04 0.41 0.09 0.00 0.00 178.44 177.28 3kxk n THR 200 N -3.42 1.73 -0.96 0.22 -1.04 -0.45 -4.93 114.28 105.43 3kxk n THR 200 Ca 0.00 -0.66 0.00 0.00 -2.04 0.00 0.00 64.05 61.35 3kxk n THR 200 Cb 0.46 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.36 3kxk n THR 200 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kxk n GLY 201 N 1.98 1.02 0.00 3.41 0.00 0.97 -5.05 105.19 107.53 3kxk n GLY 201 Ca -0.32 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.18 0.00 0.00 0.99 4.77 -0.70 -5.05 117.00 116.84 3kxk n LEU 202 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3kxk n LEU 202 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3kxk n LEU 202 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 175.82 3kxk n SER 215 N 0.00 0.00 -4.68 -1.43 2.88 -1.26 -4.83 113.62 104.30 3kxk n SER 215 Ca 0.00 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.09 3kxk n SER 215 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 3kxk n SER 215 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3kxk n PRO 216 N -0.06 2.30 0.10 -1.46 -0.02 -1.26 -4.89 135.00 129.72 3kxk n PRO 216 Ca 0.00 0.83 0.12 0.00 -2.02 0.00 0.00 63.50 62.43 3kxk n PRO 216 Cb 0.00 -2.61 0.08 0.00 -0.02 0.00 0.00 33.50 30.95 3kxk n PRO 216 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3kxk h LYS 217 N 6.03 0.00 -4.41 -0.52 1.63 -1.92 -3.44 116.57 113.94 3kxk h LYS 217 Ca -0.44 0.00 -0.45 0.00 -0.85 0.00 0.00 60.65 58.90 3kxk h LYS 217 Cb 1.24 0.00 -0.33 0.00 -0.60 0.00 0.00 32.23 32.55 3kxk h LYS 217 CO 0.90 0.00 -0.79 1.03 -3.45 0.00 0.00 179.45 177.14 3kxk s ARG 218 N -3.28 1.17 -0.16 1.90 3.00 -1.26 -0.67 118.95 119.65 3kxk s ARG 218 Ca 0.03 -0.28 -0.08 0.00 0.00 0.00 0.00 55.73 55.39 3kxk s ARG 218 Cb 0.10 -1.05 0.06 0.00 0.00 0.00 0.00 34.95 34.06 3kxk s ARG 218 CO 0.75 0.03 0.38 -0.47 0.00 0.00 0.00 175.30 175.99 3kxk s TYR 219 N 0.56 -0.56 -0.05 -0.53 5.04 -0.45 -5.00 117.35 116.35 3kxk s TYR 219 Ca -0.10 1.21 -0.22 0.00 -2.44 0.00 0.00 57.07 55.53 3kxk s TYR 219 Cb -0.13 0.23 -0.04 0.00 0.35 0.00 0.00 41.96 42.36 3kxk s TYR 219 CO 0.01 -0.33 0.64 0.00 -1.34 0.00 0.00 175.55 174.53 3kxk s ALA 220 N 1.46 3.40 -0.04 3.97 0.00 -1.26 -0.86 121.76 128.44 3kxk s ALA 220 Ca -0.09 0.06 0.06 0.00 0.00 0.00 0.00 51.96 51.99 3kxk s ALA 220 Cb -0.09 -2.85 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 3kxk s ALA 220 CO -0.12 -0.00 -0.23 0.96 0.00 0.00 0.00 175.76 176.36 3kxk s ILE 221 N 0.45 2.26 -0.14 0.00 -4.36 0.45 -4.93 121.20 114.93 3kxk s ILE 221 Ca 0.34 -1.02 -0.28 0.00 -0.26 0.00 0.00 60.65 59.43 3kxk s ILE 221 Cb -0.18 -1.81 -0.01 0.00 1.25 0.00 0.00 42.46 41.71 3kxk s ILE 221 CO 0.17 0.58 0.94 -2.84 0.24 0.00 0.00 174.94 174.03 3kxk s PRO 222 N -0.47 4.36 -0.26 0.37 0.02 -1.26 -0.90 135.00 136.86 3kxk s PRO 222 Ca 0.06 1.24 -0.00 0.00 0.02 0.00 0.00 61.00 62.32 3kxk s PRO 222 Cb -0.11 -3.56 0.08 0.00 0.02 0.00 0.00 34.50 30.92 3kxk s PRO 222 CO 0.01 -0.34 0.02 0.42 -0.33 0.00 0.00 177.00 176.77 3kxk s ILE 223 N 2.16 1.19 0.00 2.83 1.01 0.99 -4.99 121.20 124.39 3kxk s ILE 223 Ca 0.44 -1.23 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3kxk s ILE 223 Cb -0.17 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.62 3kxk s ILE 223 CO 0.15 -0.34 0.00 0.59 0.00 0.00 0.00 174.94 175.34 3kxk n ASN 224 N 4.76 0.00 -1.05 3.58 5.03 -1.26 -1.46 115.26 124.87 3kxk n ASN 224 Ca -0.07 0.00 0.12 0.00 0.87 0.00 0.00 54.58 55.50 3kxk n ASN 224 Cb 0.44 0.00 0.16 0.00 -1.02 0.00 0.00 39.78 39.36 3kxk n ASN 224 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 3kxk n ASN 225 N 9.65 3.22 -4.60 6.41 6.94 -1.26 -4.95 115.26 130.68 3kxk n ASN 225 Ca 0.00 -1.98 -0.28 0.00 -0.02 0.00 0.00 54.58 52.30 3kxk n ASN 225 Cb 0.00 -0.14 -0.09 0.00 -2.36 0.00 0.00 39.78 37.19 3kxk n ASN 225 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3kxk s ARG 226 N -1.66 2.18 -0.13 -3.83 0.52 -0.54 -5.12 118.95 110.37 3kxk s ARG 226 Ca 0.33 -1.12 0.01 0.00 -0.52 0.00 0.00 55.73 54.43 3kxk s ARG 226 Cb 0.21 -2.28 0.02 0.00 0.52 0.00 0.00 34.95 33.42 3kxk s ARG 226 CO 0.30 0.47 -0.16 0.21 0.02 0.00 0.00 175.30 176.15 3kxk s LYS 227 N -2.59 2.35 -0.09 3.54 2.20 -1.26 -0.00 119.74 123.88 3kxk s LYS 227 Ca 0.24 -0.60 -0.02 0.00 -0.36 0.00 0.00 55.97 55.24 3kxk s LYS 227 Cb -0.10 -2.06 -0.03 0.00 -1.51 0.00 0.00 37.83 34.13 3kxk s LYS 227 CO 0.15 -0.14 -0.01 0.42 -0.36 0.00 0.00 175.35 175.42 3kxk s ILE 228 N 1.20 4.23 -0.57 5.43 1.09 -0.08 -4.40 121.20 128.11 3kxk s ILE 228 Ca -0.01 -0.27 -0.21 0.00 -1.10 0.00 0.00 60.65 59.06 3kxk s ILE 228 Cb -0.14 -2.79 0.07 0.00 -1.06 0.00 0.00 42.46 38.54 3kxk s ILE 228 CO -0.06 0.59 0.78 -0.32 -0.10 0.00 0.00 174.94 175.83 3kxk s MET 229 N -0.71 3.15 0.02 2.79 1.75 -0.50 -0.41 119.30 125.39 3kxk s MET 229 Ca 0.11 -0.82 -0.28 0.00 -1.25 0.00 0.00 55.69 53.45 3kxk s MET 229 Cb -0.12 -4.15 -0.04 0.00 2.84 0.00 0.00 34.83 33.36 3kxk s MET 229 CO 0.02 -1.47 0.89 -0.51 -0.65 0.00 0.00 175.02 173.30 3kxk s LEU 230 N 3.24 4.41 -0.25 4.11 1.43 -0.04 -1.11 118.68 130.47 3kxk s LEU 230 Ca 0.19 1.57 0.03 0.00 -1.03 0.00 0.00 54.13 54.89 3kxk s LEU 230 Cb -0.18 -3.42 0.05 0.00 0.03 0.00 0.00 46.19 42.67 3kxk s LEU 230 CO 0.12 -0.14 -0.12 -0.69 0.23 0.00 0.00 176.35 175.75 3kxk s VAL 231 N 0.53 2.15 -1.11 -1.59 1.01 -0.66 -1.34 120.40 119.40 3kxk s VAL 231 Ca 0.46 -1.55 -0.22 0.00 0.00 0.00 0.00 61.98 60.67 3kxk s VAL 231 Cb -0.21 -2.22 0.04 0.00 0.00 0.00 0.00 36.38 33.98 3kxk s VAL 231 CO 0.26 0.05 1.63 -0.62 0.00 0.00 0.00 175.10 176.41 3kxk s ASP 232 N 1.13 6.35 0.89 3.32 2.15 0.16 -0.87 116.67 129.79 3kxk s ASP 232 Ca -0.07 -1.70 -0.11 0.00 0.43 0.00 0.00 52.55 51.10 3kxk s ASP 232 Cb -0.19 -2.57 0.12 0.00 -0.30 0.00 0.00 42.92 39.98 3kxk s ASP 232 CO -0.06 -1.66 1.09 0.42 -0.17 0.00 0.00 175.17 174.80 3kxk s THR 233 N 5.76 2.70 0.22 1.71 -4.23 -1.19 -4.91 115.64 115.69 3kxk s THR 233 Ca 0.53 0.23 -0.31 0.00 -1.18 0.00 0.00 61.69 60.95 3kxk s THR 233 Cb 0.00 -2.61 -0.11 0.00 1.34 0.00 0.00 72.50 71.12 3kxk s THR 233 CO -0.02 -0.30 1.59 0.54 -0.54 0.00 0.00 174.62 175.90 3kxk s VAL 234 N -2.85 2.37 0.66 2.29 0.11 -1.26 -4.92 120.40 116.79 3kxk s VAL 234 Ca 0.64 0.28 -0.16 0.00 -2.93 0.00 0.00 61.98 59.80 3kxk s VAL 234 Cb -0.19 -3.18 -0.00 0.00 -1.53 0.00 0.00 36.38 31.48 3kxk s VAL 234 CO 0.57 0.03 1.15 -2.84 -3.33 0.00 0.00 175.10 170.69 3kxk s PRO 235 N 0.54 2.70 0.18 1.54 0.02 -1.26 -4.81 135.00 133.91 3kxk s PRO 235 Ca 0.68 1.57 -0.31 0.00 0.02 0.00 0.00 61.00 62.96 3kxk s PRO 235 Cb -0.46 -1.92 -0.10 0.00 0.02 0.00 0.00 34.50 32.04 3kxk s PRO 235 CO 0.37 -1.36 1.55 -0.06 -0.33 0.00 0.00 177.00 177.17 3kxk s PHE 236 N -2.08 3.04 -0.09 6.54 0.08 0.07 -4.90 117.98 120.65 3kxk s PHE 236 Ca 0.71 0.68 0.03 0.00 0.12 0.00 0.00 56.93 58.48 3kxk s PHE 236 Cb -0.24 -3.92 0.01 0.00 -0.57 0.00 0.00 43.02 38.29 3kxk s PHE 236 CO 0.40 -3.33 -0.19 0.42 -0.10 0.00 0.00 175.22 172.41 3kxk s ILE 237 N 0.93 1.67 0.15 0.64 1.01 -1.26 -3.76 121.20 120.59 3kxk s ILE 237 Ca 0.68 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 60.46 3kxk s ILE 237 Cb -0.44 -1.47 -0.06 0.00 0.01 0.00 0.00 42.46 40.50 3kxk s ILE 237 CO 0.34 0.47 0.43 -0.13 0.00 0.00 0.00 174.94 176.05 3kxk s ARG 238 N 0.49 3.72 -1.12 2.79 0.52 -1.26 -4.53 118.95 119.56 3kxk s ARG 238 Ca -0.17 0.10 -0.05 0.00 -0.52 0.00 0.00 55.73 55.09 3kxk s ARG 238 Cb -0.17 -2.84 -0.04 0.00 0.52 0.00 0.00 34.95 32.41 3kxk s ARG 238 CO 0.07 0.46 0.92 0.41 0.02 0.00 0.00 175.30 177.18 3kxk n GLY 239 N 0.29 -0.85 3.73 -3.53 0.00 -1.26 -4.98 105.19 98.60 3kxk n GLY 239 Ca -0.03 0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.40 4.96 0.08 -0.61 1.01 -1.26 -5.01 121.20 116.97 3kxk s ILE 240 Ca 0.29 1.40 -0.37 0.00 0.00 0.00 0.00 60.65 61.97 3kxk s ILE 240 Cb -0.04 -4.01 -0.17 0.00 0.01 0.00 0.00 42.46 38.25 3kxk s ILE 240 CO 0.75 0.32 1.37 -2.65 0.00 0.00 0.00 174.94 174.72 3kxk n PRO 241 N 3.34 1.21 0.04 2.79 -0.02 -1.26 -4.81 135.00 136.29 3kxk n PRO 241 Ca -0.03 0.44 0.21 0.00 -2.02 0.00 0.00 63.50 62.10 3kxk n PRO 241 Cb 0.51 -2.09 0.73 0.00 -0.02 0.00 0.00 33.50 32.63 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 4.73 0.00 0.00 0.52 0.13 -2.01 -1.30 132.00 134.07 3kxk h PRO 242 Ca -0.48 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 3kxk h PRO 242 Cb 1.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 3kxk h PRO 242 CO 0.79 0.00 -0.30 1.96 -0.23 0.00 0.00 178.00 180.22 3kxk h GLN 243 N 0.00 0.00 -0.08 0.86 4.20 -2.03 -3.08 115.11 114.98 3kxk h GLN 243 Ca 0.24 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 3kxk h GLN 243 Cb 1.14 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.92 3kxk h GLN 243 CO -0.00 0.30 -0.00 0.44 -0.67 0.00 0.00 178.83 178.90 3kxk n ILE 244 N -4.16 2.01 -0.08 2.54 -5.35 -0.50 -4.71 119.36 109.10 3kxk n ILE 244 Ca -0.02 -2.16 -0.10 0.00 -0.27 0.00 0.00 62.75 60.20 3kxk n ILE 244 Cb 0.35 -0.25 -0.03 0.00 -1.74 0.00 0.00 39.64 37.97 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 0.55 1.17 -0.78 7.28 2.07 -1.44 -1.81 116.25 123.29 3kxk h VAL 245 Ca 0.00 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 3kxk h VAL 245 Cb 1.14 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 3kxk h VAL 245 CO 0.07 0.17 0.38 0.44 0.02 0.00 0.00 177.57 178.65 3kxk h ASP 246 N 0.29 1.01 -0.41 0.57 3.32 -1.84 -0.29 116.42 119.07 3kxk h ASP 246 Ca 0.09 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3kxk h ASP 246 Cb 0.16 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3kxk h ASP 246 CO -0.01 0.85 0.22 0.00 -1.72 0.00 0.00 179.24 178.58 3kxk h ALA 247 N 1.20 0.52 -0.16 3.45 0.00 -1.82 -2.43 119.26 120.02 3kxk h ALA 247 Ca 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3kxk h ALA 247 Cb 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kxk h ALA 247 CO -0.04 0.05 0.04 0.35 0.00 0.00 0.00 179.25 179.66 3kxk h PHE 248 N 0.52 0.26 -0.26 0.00 3.57 -1.03 -2.45 116.94 117.54 3kxk h PHE 248 Ca 0.14 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.66 3kxk h PHE 248 Cb 0.07 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 3kxk h PHE 248 CO -0.02 0.40 -0.05 0.35 -2.23 0.00 0.00 178.31 176.75 3kxk h PHE 249 N 0.06 -0.11 -0.69 0.41 3.04 -0.97 0.43 116.94 119.10 3kxk h PHE 249 Ca 0.05 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.00 3kxk h PHE 249 Cb 0.27 0.09 -0.03 0.00 2.56 0.00 0.00 35.95 38.83 3kxk h PHE 249 CO 0.01 -0.10 0.33 0.28 -2.02 0.00 0.00 178.31 176.81 3kxk h VAL 250 N 0.02 1.23 -0.63 1.41 2.07 -1.45 0.13 116.25 119.02 3kxk h VAL 250 Ca 0.13 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 3kxk h VAL 250 Cb 0.19 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3kxk h VAL 250 CO -0.26 0.27 0.27 0.74 0.02 0.00 0.00 177.57 178.61 3kxk h THR 251 N 0.96 1.23 -0.17 2.57 2.02 -0.91 -2.70 112.91 115.91 3kxk h THR 251 Ca 0.24 -0.69 -0.15 0.00 0.77 0.00 0.00 66.41 66.57 3kxk h THR 251 Cb 0.12 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3kxk h THR 251 CO -0.03 0.28 -0.53 0.25 0.37 0.00 0.00 175.52 175.86 3kxk h LEU 252 N 0.88 0.54 -2.17 2.58 5.85 -0.66 -3.02 115.31 119.30 3kxk h LEU 252 Ca 0.21 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3kxk h LEU 252 Cb 0.18 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3kxk h LEU 252 CO -0.02 0.97 0.00 0.28 -0.34 0.00 0.00 178.44 179.33 3kxk h SER 253 N 0.38 0.00 -0.00 1.25 0.02 -0.42 -1.58 113.55 113.19 3kxk h SER 253 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3kxk h SER 253 Cb 1.05 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.59 3kxk h SER 253 CO 0.10 0.00 0.01 -0.33 -1.14 0.00 0.00 176.83 175.46 3kxk h GLU 254 N 0.00 0.00 0.00 3.45 5.08 -1.39 -0.91 114.58 120.81 3kxk h GLU 254 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kxk h GLU 254 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3kxk h GLU 254 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 3kxk h ALA 255 N 1.99 1.00 0.00 3.43 0.00 -1.51 -2.65 119.26 121.52 3kxk h ALA 255 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kxk h ALA 255 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kxk h ALA 255 CO -0.00 0.00 0.00 1.57 0.00 0.00 0.00 179.25 180.82 3kxk h LYS 256 N 0.00 0.00 -0.10 0.00 2.10 -1.38 -2.80 116.57 114.39 3kxk h LYS 256 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kxk h LYS 256 Cb 0.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 3kxk h LYS 256 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 3kxk n TYR 257 N -2.99 0.12 -2.33 0.07 4.02 -1.00 -4.87 117.16 110.17 3kxk n TYR 257 Ca 0.01 -0.06 -0.32 0.00 -0.01 0.00 0.00 57.90 57.52 3kxk n TYR 257 Cb 0.34 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.63 3kxk n TYR 257 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3kxk s SER 258 N -1.71 6.41 0.26 7.72 0.01 -1.06 -4.97 113.70 120.37 3kxk s SER 258 Ca 0.34 1.65 0.14 0.00 1.31 0.00 0.00 55.95 59.39 3kxk s SER 258 Cb 0.18 -2.52 0.06 0.00 0.21 0.00 0.00 66.02 63.96 3kxk s SER 258 CO 0.28 -0.73 1.44 0.44 0.41 0.00 0.00 173.24 175.08 3kxk h ASP 259 N 0.86 0.00 -5.00 2.44 3.32 -1.39 -3.47 116.42 113.18 3kxk h ASP 259 Ca -0.47 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.62 3kxk h ASP 259 Cb 1.19 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.66 3kxk h ASP 259 CO 0.60 0.58 0.24 0.00 -1.72 0.00 0.00 179.24 178.95 3kxk s ALA 260 N -2.97 -1.44 0.06 3.45 0.00 -1.13 -4.30 121.76 115.43 3kxk s ALA 260 Ca 0.03 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.16 3kxk s ALA 260 Cb 0.08 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 24.02 3kxk s ALA 260 CO 0.75 -0.90 -0.11 -0.51 0.00 0.00 0.00 175.76 174.99 3kxk s LEU 261 N -2.83 2.28 -0.41 0.00 1.43 -1.01 -1.51 118.68 116.64 3kxk s LEU 261 Ca 0.06 -0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 52.51 3kxk s LEU 261 Cb -0.03 -0.36 0.11 0.00 0.03 0.00 0.00 46.19 45.94 3kxk s LEU 261 CO -0.03 -0.15 0.22 -0.63 0.23 0.00 0.00 176.35 175.99 3kxk s ILE 262 N -1.45 3.36 -0.51 -0.59 1.01 0.48 -1.01 121.20 122.49 3kxk s ILE 262 Ca -0.04 -2.04 -0.29 0.00 0.00 0.00 0.00 60.65 58.28 3kxk s ILE 262 Cb -0.09 -3.30 0.03 0.00 0.01 0.00 0.00 42.46 39.11 3kxk s ILE 262 CO 0.01 -0.70 1.17 -0.22 0.00 0.00 0.00 174.94 175.20 3kxk s LEU 263 N 1.15 3.58 -0.15 2.97 2.96 -0.92 -1.81 118.68 126.45 3kxk s LEU 263 Ca 0.08 0.37 -0.22 0.00 -0.22 0.00 0.00 54.13 54.14 3kxk s LEU 263 Cb -0.23 -3.44 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 3kxk s LEU 263 CO -0.04 -1.33 0.67 -0.69 -1.32 0.00 0.00 176.35 173.64 3kxk s VAL 264 N 4.65 5.02 -0.11 1.68 1.01 -0.19 -1.21 120.40 131.25 3kxk s VAL 264 Ca 0.47 1.31 0.02 0.00 0.00 0.00 0.00 61.98 63.78 3kxk s VAL 264 Cb -0.07 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 3kxk s VAL 264 CO 0.30 0.15 -0.18 -0.63 0.00 0.00 0.00 175.10 174.74 3kxk s ILE 265 N 1.55 2.62 -0.42 2.22 -1.09 -0.42 -4.37 121.20 121.29 3kxk s ILE 265 Ca 0.32 -0.83 -0.29 0.00 -2.23 0.00 0.00 60.65 57.63 3kxk s ILE 265 Cb -0.16 -2.05 0.02 0.00 -1.58 0.00 0.00 42.46 38.68 3kxk s ILE 265 CO 0.13 0.55 1.25 -0.62 -1.23 0.00 0.00 174.94 175.01 3kxk s ASP 266 N 0.20 6.56 0.18 3.58 2.15 -1.26 -0.30 116.67 127.78 3kxk s ASP 266 Ca -0.11 0.73 0.26 0.00 0.43 0.00 0.00 52.55 53.86 3kxk s ASP 266 Cb -0.16 -2.54 0.89 0.00 -0.30 0.00 0.00 42.92 40.81 3kxk s ASP 266 CO 0.06 -1.26 1.79 -1.54 -0.17 0.00 0.00 175.17 174.04 3kxk n SER 267 N 8.08 0.66 0.00 -0.34 3.41 -0.95 -3.52 113.62 120.96 3kxk n SER 267 Ca 0.14 0.57 0.05 0.00 -0.26 0.00 0.00 58.87 59.37 3kxk n SER 267 Cb 0.48 -0.75 0.27 0.00 -0.26 0.00 0.00 64.21 63.95 3kxk n SER 267 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kxk n THR 268 N -2.13 0.69 -2.22 6.66 -2.24 -1.26 -4.72 114.28 109.05 3kxk n THR 268 Ca 0.05 0.17 -0.32 0.00 -2.27 0.00 0.00 64.05 61.68 3kxk n THR 268 Cb 0.39 -1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 67.61 3kxk n THR 268 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3kxk s PHE 269 N -2.53 3.26 0.29 4.78 0.08 -1.23 -5.05 117.98 117.59 3kxk s PHE 269 Ca 0.10 1.48 -0.05 0.00 0.12 0.00 0.00 56.93 58.58 3kxk s PHE 269 Cb 0.07 -2.88 0.07 0.00 -0.57 0.00 0.00 43.02 39.71 3kxk s PHE 269 CO 0.16 -0.70 0.28 -1.13 -0.10 0.00 0.00 175.22 173.72 3kxk n SER 270 N -1.83 -1.11 0.24 1.36 3.41 -1.26 -4.60 113.62 109.83 3kxk n SER 270 Ca 0.07 -0.72 -0.10 0.00 -0.26 0.00 0.00 58.87 57.87 3kxk n SER 270 Cb 0.54 -0.25 -0.05 0.00 -0.26 0.00 0.00 64.21 64.19 3kxk n SER 270 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3kxk h GLU 271 N 0.00 -0.61 -0.79 4.33 4.81 -1.97 0.17 114.58 120.52 3kxk h GLU 271 Ca -0.10 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 3kxk h GLU 271 Cb 0.30 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 3kxk h GLU 271 CO 0.07 -0.41 0.35 -0.91 -0.73 0.00 0.00 179.01 177.38 3kxk h ASN 272 N -0.64 1.05 -0.75 1.04 -0.26 -1.99 -2.10 115.58 111.94 3kxk h ASN 272 Ca -0.06 -0.15 -0.04 0.00 -0.56 0.00 0.00 56.30 55.49 3kxk h ASN 272 Cb 0.49 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.45 3kxk h ASN 272 CO 0.09 0.91 0.32 -0.07 -1.06 0.00 0.00 177.43 177.63 3kxk h LEU 273 N 1.12 1.02 -0.27 1.61 3.38 -1.92 0.29 115.31 120.54 3kxk h LEU 273 Ca 0.27 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3kxk h LEU 273 Cb 0.16 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3kxk h LEU 273 CO -0.03 0.90 0.12 0.25 0.09 0.00 0.00 178.44 179.77 3kxk h LEU 274 N 1.10 0.37 -0.60 1.67 5.85 -0.64 0.94 115.31 123.99 3kxk h LEU 274 Ca 0.26 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.88 3kxk h LEU 274 Cb 0.18 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 3kxk h LEU 274 CO -0.02 0.40 0.34 0.40 -0.34 0.00 0.00 178.44 179.22 3kxk h ILE 275 N 0.30 1.01 -0.51 4.05 2.04 -1.05 0.08 117.51 123.44 3kxk h ILE 275 Ca 0.09 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 3kxk h ILE 275 Cb 0.14 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 3kxk h ILE 275 CO -0.01 0.12 0.26 -0.08 0.00 0.00 0.00 178.15 178.44 3kxk h GLU 276 N 0.66 0.72 -0.20 2.37 4.22 -0.57 0.15 114.58 121.92 3kxk h GLU 276 Ca 0.26 -0.09 -0.01 0.00 0.08 0.00 0.00 59.36 59.60 3kxk h GLU 276 Cb 0.10 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3kxk h GLU 276 CO -0.14 0.58 0.10 1.15 -2.18 0.00 0.00 179.01 178.51 3kxk h THR 277 N 0.67 1.13 0.26 0.32 2.02 -0.40 0.15 112.91 117.07 3kxk h THR 277 Ca 0.18 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 3kxk h THR 277 Cb 0.08 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3kxk h THR 277 CO -0.03 0.13 -0.13 0.25 0.37 0.00 0.00 175.52 176.12 3kxk h LEU 278 N 0.20 -0.30 -0.63 2.58 5.85 -0.79 0.74 115.31 122.97 3kxk h LEU 278 Ca 0.07 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.81 3kxk h LEU 278 Cb 0.12 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3kxk h LEU 278 CO -0.01 -0.19 0.39 -0.61 -0.34 0.00 0.00 178.44 177.68 3kxk h GLN 279 N -0.37 0.75 -0.59 1.25 4.15 -0.66 -1.76 115.11 117.88 3kxk h GLN 279 Ca -0.04 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.31 3kxk h GLN 279 Cb 0.29 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 3kxk h GLN 279 CO 0.06 0.50 0.25 0.77 -1.93 0.00 0.00 178.83 178.48 3kxk h SER 280 N 0.77 0.80 -0.20 -0.69 0.02 -0.54 0.21 113.55 113.92 3kxk h SER 280 Ca 0.25 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 3kxk h SER 280 Cb 0.01 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 3kxk h SER 280 CO -0.10 0.74 0.04 0.28 -1.14 0.00 0.00 176.83 176.65 3kxk h SER 281 N 0.81 0.01 -0.21 3.07 0.02 -0.35 0.13 113.55 117.04 3kxk h SER 281 Ca 0.20 0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 61.06 3kxk h SER 281 Cb 0.17 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 3kxk h SER 281 CO -0.02 0.04 -0.30 -0.26 -1.14 0.00 0.00 176.83 175.15 3kxk h PHE 282 N 0.12 0.82 -0.24 3.45 0.04 -1.21 -1.18 116.94 118.74 3kxk h PHE 282 Ca 0.09 -0.21 0.01 0.00 2.80 0.00 0.00 57.97 60.66 3kxk h PHE 282 Cb 0.09 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 3kxk h PHE 282 CO -0.14 0.92 0.15 1.49 -0.60 0.00 0.00 178.31 180.13 3kxk h GLU 283 N 0.61 0.29 -0.44 1.51 4.57 -0.52 0.28 114.58 120.88 3kxk h GLU 283 Ca 0.07 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3kxk h GLU 283 Cb 0.81 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.31 3kxk h GLU 283 CO 0.07 0.19 0.26 0.82 -1.18 0.00 0.00 179.01 179.18 3kxk h ILE 284 N 0.30 1.14 -0.11 2.32 2.04 -0.62 -0.07 117.51 122.51 3kxk h ILE 284 Ca 0.09 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.67 3kxk h ILE 284 Cb -0.01 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 3kxk h ILE 284 CO -0.04 0.14 0.08 -0.07 0.00 0.00 0.00 178.15 178.27 3kxk h LEU 285 N 0.58 0.00 -0.04 1.44 3.38 -0.88 -1.43 115.31 118.37 3kxk h LEU 285 Ca 0.16 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.95 3kxk h LEU 285 Cb -0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 3kxk h LEU 285 CO -0.03 0.00 -0.67 -0.09 0.09 0.00 0.00 178.44 177.74 3kxk h ARG 286 N 0.00 0.52 -0.92 1.13 2.43 0.07 -1.28 114.38 116.33 3kxk h ARG 286 Ca 0.05 -0.51 0.01 0.00 -0.81 0.00 0.00 59.98 58.72 3kxk h ARG 286 Cb 0.22 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.85 3kxk h ARG 286 CO -0.00 1.14 0.60 0.93 -1.51 0.00 0.00 179.97 181.14 3kxk h GLU 287 N 0.09 1.21 0.00 0.20 5.08 -0.05 -1.86 114.58 119.26 3kxk h GLU 287 Ca -0.07 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3kxk h GLU 287 Cb 1.35 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3kxk h GLU 287 CO 0.13 0.81 0.00 0.44 -1.00 0.00 0.00 179.01 179.39 3kxk n ILE 288 N -4.44 0.50 -0.20 3.13 -5.35 -0.68 -4.88 119.36 107.44 3kxk n ILE 288 Ca 0.10 0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.71 3kxk n ILE 288 Cb 0.02 -0.76 0.00 0.00 -1.74 0.00 0.00 39.64 37.15 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 0.65 1.34 3.69 3.28 0.00 -0.70 -4.82 105.19 108.63 3kxk n GLY 289 Ca 0.06 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.00 4.90 -0.25 1.61 1.01 -0.49 -4.95 120.40 120.23 3kxk s VAL 290 Ca 0.00 1.73 -0.26 0.00 0.00 0.00 0.00 61.98 63.45 3kxk s VAL 290 Cb 0.00 -4.18 0.09 0.00 0.00 0.00 0.00 36.38 32.29 3kxk s VAL 290 CO 0.00 0.09 0.81 -0.94 0.00 0.00 0.00 175.10 175.06 3kxk s SER 291 N 1.05 -0.65 0.00 3.32 1.04 -1.26 -4.54 113.70 112.66 3kxk s SER 291 Ca 0.42 1.19 0.00 0.00 0.48 0.00 0.00 55.95 58.03 3kxk s SER 291 Cb -0.18 1.18 0.00 0.00 0.10 0.00 0.00 66.02 67.12 3kxk s SER 291 CO 0.17 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.74 3kxk n GLY 292 N 2.32 2.88 3.72 7.32 0.00 -1.26 -4.99 105.19 115.17 3kxk n GLY 292 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.12 4.34 0.20 1.61 3.01 -1.26 -4.56 119.74 122.97 3kxk s LYS 293 Ca 0.00 2.02 -0.31 0.00 -1.01 0.00 0.00 55.97 56.67 3kxk s LYS 293 Cb 0.00 -3.26 -0.11 0.00 -1.01 0.00 0.00 37.83 33.45 3kxk s LYS 293 CO 0.00 -0.40 1.63 -2.14 0.51 0.00 0.00 175.35 174.95 3kxk s PRO 294 N 1.06 4.17 -0.17 -1.68 0.02 -1.26 -4.31 135.00 132.83 3kxk s PRO 294 Ca 0.63 2.49 -0.01 0.00 0.02 0.00 0.00 61.00 64.13 3kxk s PRO 294 Cb -0.36 -3.10 -0.01 0.00 0.02 0.00 0.00 34.50 31.06 3kxk s PRO 294 CO 0.30 -0.66 -0.11 0.42 -0.33 0.00 0.00 177.00 176.62 3kxk s ILE 295 N 0.96 2.96 -0.47 2.83 -1.09 -0.66 -2.41 121.20 123.32 3kxk s ILE 295 Ca 0.71 -0.66 -0.13 0.00 -2.23 0.00 0.00 60.65 58.33 3kxk s ILE 295 Cb -0.47 -2.28 0.09 0.00 -1.58 0.00 0.00 42.46 38.22 3kxk s ILE 295 CO 0.34 0.49 0.38 -0.22 -1.23 0.00 0.00 174.94 174.70 3kxk s LEU 296 N 0.95 5.62 0.06 2.97 2.96 -0.18 -0.80 118.68 130.26 3kxk s LEU 296 Ca -0.02 -1.52 -0.28 0.00 -0.22 0.00 0.00 54.13 52.08 3kxk s LEU 296 Cb -0.15 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 3kxk s LEU 296 CO -0.01 -0.67 0.91 -0.69 -1.32 0.00 0.00 176.35 174.57 3kxk s VAL 297 N 1.55 4.67 -0.22 1.68 1.01 -0.31 -2.16 120.40 126.61 3kxk s VAL 297 Ca 0.04 1.93 0.01 0.00 0.00 0.00 0.00 61.98 63.96 3kxk s VAL 297 Cb -0.25 -4.26 0.06 0.00 0.00 0.00 0.00 36.38 31.92 3kxk s VAL 297 CO 0.04 0.29 -0.06 0.42 0.00 0.00 0.00 175.10 175.79 3kxk s THR 298 N 0.27 1.54 -0.77 3.92 -4.23 -0.35 -1.36 115.64 114.65 3kxk s THR 298 Ca 0.46 -1.16 -0.26 0.00 -1.18 0.00 0.00 61.69 59.55 3kxk s THR 298 Cb -0.22 -1.76 0.02 0.00 1.34 0.00 0.00 72.50 71.88 3kxk s THR 298 CO 0.27 -0.04 1.48 -0.22 -0.54 0.00 0.00 174.62 175.57 3kxk s LEU 299 N 1.40 3.25 0.53 4.79 2.96 -0.02 -1.30 118.68 130.29 3kxk s LEU 299 Ca -0.05 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.36 3kxk s LEU 299 Cb -0.18 -2.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.94 3kxk s LEU 299 CO -0.07 -1.97 0.82 0.21 -1.32 0.00 0.00 176.35 174.03 3kxk s ASN 300 N 5.20 5.86 -0.90 3.68 2.47 0.59 -0.77 114.94 131.07 3kxk s ASN 300 Ca 0.46 0.71 -0.01 0.00 0.42 0.00 0.00 52.86 54.44 3kxk s ASN 300 Cb -0.08 -1.85 0.00 0.00 -1.45 0.00 0.00 41.25 37.87 3kxk s ASN 300 CO 0.11 -0.84 0.76 0.29 -3.72 0.00 0.00 177.10 173.70 3kxk n LYS 301 N -2.38 -5.02 0.15 0.43 5.02 -0.56 -2.23 118.16 113.56 3kxk n LYS 301 Ca 0.03 0.63 0.13 0.00 -2.02 0.00 0.00 58.31 57.07 3kxk n LYS 301 Cb 0.57 -5.01 0.32 0.00 -0.02 0.00 0.00 35.03 30.89 3kxk n LYS 301 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 3kxk h ILE 302 N -1.47 0.00 -0.02 -0.18 3.07 -1.74 -3.19 117.51 113.99 3kxk h ILE 302 Ca -0.44 -0.67 -0.15 0.00 1.55 0.00 0.00 64.86 65.15 3kxk h ILE 302 Cb 1.26 1.66 -0.02 0.00 -0.27 0.00 0.00 36.82 39.45 3kxk h ILE 302 CO 0.38 0.00 -0.70 -2.24 -1.05 0.00 0.00 178.15 174.54 3kxk h ASP 303 N 0.00 0.11 -0.13 2.16 2.03 -1.92 -3.42 116.42 115.25 3kxk h ASP 303 Ca 0.00 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 3kxk h ASP 303 Cb 0.83 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.30 3kxk h ASP 303 CO 0.00 0.77 0.00 0.29 -1.03 0.00 0.00 179.24 179.27 3kxk n LYS 304 N -3.75 1.33 0.00 4.15 5.02 -1.20 -5.00 118.16 118.71 3kxk n LYS 304 Ca -0.02 -0.49 0.00 0.00 -2.02 0.00 0.00 58.31 55.79 3kxk n LYS 304 Cb 0.68 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 3kxk n LYS 304 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3kxk n ASN 306 N -0.10 0.00 0.00 4.39 0.23 -1.26 -4.92 115.26 113.60 3kxk n ASN 306 Ca 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.10 3kxk n ASN 306 Cb 0.13 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 3kxk n ASN 306 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kxk n GLY 307 N -0.18 2.83 1.77 4.83 0.00 -1.26 -4.80 105.19 108.38 3kxk n GLY 307 Ca 0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 3kxk n GLY 307 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kxk n ASP 308 N 2.28 5.37 0.14 1.61 8.00 -1.26 -4.60 116.55 128.09 3kxk n ASP 308 Ca 0.00 -2.94 -0.11 0.00 0.71 0.00 0.00 54.79 52.45 3kxk n ASP 308 Cb 0.00 -0.92 -0.06 0.00 -0.02 0.00 0.00 41.12 40.12 3kxk n ASP 308 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3kxk h LEU 309 N 2.01 -0.93 -1.60 0.64 5.85 -1.94 -1.59 115.31 117.75 3kxk h LEU 309 Ca 0.29 0.08 0.10 0.00 0.84 0.00 0.00 57.88 59.19 3kxk h LEU 309 Cb 1.24 0.32 -0.04 0.00 0.37 0.00 0.00 40.66 42.55 3kxk h LEU 309 CO 0.66 -0.39 0.43 1.88 -0.34 0.00 0.00 178.44 180.67 3kxk h TYR 310 N -0.57 0.48 0.18 1.25 0.05 -1.98 0.26 116.97 116.64 3kxk h TYR 310 Ca -0.03 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 3kxk h TYR 310 Cb 0.52 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.11 3kxk h TYR 310 CO -0.27 0.22 -0.09 -0.22 -1.05 0.00 0.00 178.16 176.76 3kxk h LYS 311 N 0.44 -0.24 -0.11 4.88 3.11 -1.81 -0.54 116.57 122.30 3kxk h LYS 311 Ca 0.30 0.02 -0.14 0.00 -2.81 0.00 0.00 60.65 58.01 3kxk h LYS 311 Cb 0.57 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.84 3kxk h LYS 311 CO -0.09 -0.09 -0.55 0.87 -2.81 0.00 0.00 179.45 176.78 3kxk h LYS 312 N -0.33 0.33 -0.32 1.90 1.57 -0.56 -3.00 116.57 116.15 3kxk h LYS 312 Ca -0.03 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 3kxk h LYS 312 Cb 0.26 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3kxk h LYS 312 CO 0.04 0.80 0.18 1.25 -0.57 0.00 0.00 179.45 181.15 3kxk h LEU 313 N 0.26 0.40 -0.65 2.94 5.85 -0.34 -0.20 115.31 123.56 3kxk h LEU 313 Ca 0.00 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3kxk h LEU 313 Cb 1.05 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 3kxk h LEU 313 CO 0.09 0.37 0.39 -0.78 -0.34 0.00 0.00 178.44 178.17 3kxk h ASP 314 N 0.40 0.79 0.09 1.25 -0.00 -1.09 0.17 116.42 118.02 3kxk h ASP 314 Ca 0.11 -0.07 -0.00 0.00 -0.00 0.00 0.00 57.03 57.07 3kxk h ASP 314 Cb 0.06 -0.20 0.00 0.00 -0.00 0.00 0.00 39.33 39.19 3kxk h ASP 314 CO -0.02 0.63 -0.04 0.25 -0.00 0.00 0.00 179.24 180.05 3kxk h LEU 315 N 0.89 -0.10 -0.06 2.28 6.46 -1.36 0.33 115.31 123.75 3kxk h LEU 315 Ca 0.23 -0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.94 3kxk h LEU 315 Cb -0.01 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 3kxk h LEU 315 CO -0.04 0.01 -0.07 0.58 -0.62 0.00 0.00 178.44 178.30 3kxk h VAL 316 N -0.21 0.80 -0.21 1.05 2.07 -0.80 0.30 116.25 119.24 3kxk h VAL 316 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3kxk h VAL 316 Cb 0.18 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3kxk h VAL 316 CO 0.02 0.00 0.09 -0.08 0.02 0.00 0.00 177.57 177.62 3kxk h GLU 317 N -0.10 0.19 -0.30 1.57 4.81 -0.56 0.35 114.58 120.54 3kxk h GLU 317 Ca 0.05 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.11 3kxk h GLU 317 Cb 0.17 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 3kxk h GLU 317 CO -0.12 0.13 -0.44 -0.22 -0.73 0.00 0.00 179.01 177.64 3kxk h LYS 318 N 0.20 0.83 -0.24 1.92 3.64 -0.78 -2.65 116.57 119.49 3kxk h LYS 318 Ca 0.09 -0.49 -0.13 0.00 -1.27 0.00 0.00 60.65 58.85 3kxk h LYS 318 Cb 0.04 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3kxk h LYS 318 CO -0.07 1.12 -0.34 1.25 -2.27 0.00 0.00 179.45 179.14 3kxk h LEU 319 N 0.60 0.71 -0.39 5.20 5.85 -0.26 -3.00 115.31 124.02 3kxk h LEU 319 Ca 0.03 -0.51 0.02 0.00 0.84 0.00 0.00 57.88 58.26 3kxk h LEU 319 Cb 1.04 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 3kxk h LEU 319 CO 0.10 1.08 0.21 0.28 -0.34 0.00 0.00 178.44 179.77 3kxk h SER 320 N 0.36 0.32 0.38 1.25 0.02 -0.33 0.72 113.55 116.26 3kxk h SER 320 Ca 0.02 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3kxk h SER 320 Cb 0.93 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.41 3kxk h SER 320 CO 0.08 0.23 -0.04 0.07 -1.14 0.00 0.00 176.83 176.03 3kxk h LYS 321 N 0.42 0.00 0.00 3.45 2.10 -1.50 -1.23 116.57 119.81 3kxk h LYS 321 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 3kxk h LYS 321 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 3kxk h LYS 321 CO -0.10 0.04 -1.06 0.39 -2.00 0.00 0.00 179.45 176.72 3kxk n GLU 322 N -3.29 0.41 -0.06 0.07 -0.58 -0.51 -4.30 120.64 112.39 3kxk n GLU 322 Ca -0.02 0.02 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 3kxk n GLU 322 Cb 0.18 -1.66 -0.15 0.00 -0.57 0.00 0.00 31.44 29.24 3kxk n GLU 322 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3kxk n LEU 323 N -2.20 0.54 -3.81 -4.62 4.77 0.13 -5.02 117.00 106.79 3kxk n LEU 323 Ca 0.01 0.23 -0.11 0.00 -0.03 0.00 0.00 56.01 56.12 3kxk n LEU 323 Cb 0.48 0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.78 3kxk n LEU 323 CO 0.40 0.44 -0.04 -0.47 -1.33 0.00 0.00 177.39 176.39 3kxk s TYR 324 N -2.55 0.00 -0.09 -1.77 5.04 -0.65 -5.05 117.35 112.28 3kxk s TYR 324 Ca -0.07 -0.22 -0.08 0.00 -2.44 0.00 0.00 57.07 54.25 3kxk s TYR 324 Cb 0.07 0.02 0.02 0.00 0.35 0.00 0.00 41.96 42.43 3kxk s TYR 324 CO 0.83 -0.48 0.24 0.45 -1.34 0.00 0.00 175.55 175.24 3kxk s SER 325 N -2.21 -0.25 -0.01 4.32 0.15 -1.26 -4.22 113.70 110.22 3kxk s SER 325 Ca -0.03 0.48 -0.18 0.00 0.70 0.00 0.00 55.95 56.92 3kxk s SER 325 Cb -0.00 0.49 -0.06 0.00 -1.71 0.00 0.00 66.02 64.74 3kxk s SER 325 CO -0.05 -0.09 0.50 -2.84 1.20 0.00 0.00 173.24 171.97 3kxk s PRO 326 N 0.19 4.17 -0.38 5.44 0.02 -1.26 -4.24 135.00 138.93 3kxk s PRO 326 Ca -0.00 0.57 -0.18 0.00 0.02 0.00 0.00 61.00 61.40 3kxk s PRO 326 Cb -0.02 -3.30 0.01 0.00 0.02 0.00 0.00 34.50 31.21 3kxk s PRO 326 CO -0.00 0.49 0.49 0.42 -0.33 0.00 0.00 177.00 178.07 3kxk s ILE 327 N -0.52 5.03 0.06 2.83 -1.09 -1.26 -1.65 121.20 124.60 3kxk s ILE 327 Ca 0.27 0.05 -0.23 0.00 -2.23 0.00 0.00 60.65 58.51 3kxk s ILE 327 Cb -0.17 -4.01 -0.16 0.00 -1.58 0.00 0.00 42.46 36.54 3kxk s ILE 327 CO 0.15 -0.32 1.59 0.15 -1.23 0.00 0.00 174.94 175.28 3kxk h PHE 328 N 8.61 0.04 -1.93 3.97 3.57 -1.30 -3.47 116.94 126.43 3kxk h PHE 328 Ca -0.27 -0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.47 3kxk h PHE 328 Cb 1.12 -0.01 -0.10 0.00 2.79 0.00 0.00 35.95 39.75 3kxk h PHE 328 CO 0.69 0.18 0.64 0.34 -2.23 0.00 0.00 178.31 177.93 3kxk s ASP 329 N -5.38 -0.12 -0.22 0.41 2.15 -1.24 -5.02 116.67 107.24 3kxk s ASP 329 Ca -0.14 -0.28 -0.03 0.00 0.43 0.00 0.00 52.55 52.53 3kxk s ASP 329 Cb 0.05 0.34 0.07 0.00 -0.30 0.00 0.00 42.92 43.08 3kxk s ASP 329 CO 0.67 -0.63 0.07 -0.69 -0.17 0.00 0.00 175.17 174.43 3kxk s VAL 330 N -2.89 0.30 0.03 1.11 1.01 -1.26 -1.16 120.40 117.54 3kxk s VAL 330 Ca 0.13 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.58 3kxk s VAL 330 Cb 0.01 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 3kxk s VAL 330 CO -0.01 -0.38 -0.20 0.27 0.00 0.00 0.00 175.10 174.78 3kxk s ILE 331 N 1.94 1.62 0.13 2.22 -4.36 -0.47 -4.99 121.20 117.31 3kxk s ILE 331 Ca 0.03 -1.11 -0.28 0.00 -0.26 0.00 0.00 60.65 59.03 3kxk s ILE 331 Cb -0.17 -1.40 -0.07 0.00 1.25 0.00 0.00 42.46 42.08 3kxk s ILE 331 CO -0.16 0.25 0.87 -2.84 0.24 0.00 0.00 174.94 173.31 3kxk s PRO 332 N -1.01 4.66 0.11 0.37 0.02 -1.26 -0.84 135.00 137.05 3kxk s PRO 332 Ca 0.07 1.31 -0.04 0.00 0.02 0.00 0.00 61.00 62.36 3kxk s PRO 332 Cb -0.08 -3.33 -0.03 0.00 0.02 0.00 0.00 34.50 31.08 3kxk s PRO 332 CO 0.01 0.37 0.11 0.96 -0.33 0.00 0.00 177.00 178.12 3kxk s ILE 333 N -0.51 0.13 -0.40 2.83 -4.36 0.05 -4.83 121.20 114.11 3kxk s ILE 333 Ca 0.41 -1.67 0.01 0.00 -0.26 0.00 0.00 60.65 59.15 3kxk s ILE 333 Cb -0.23 -1.79 0.13 0.00 1.25 0.00 0.00 42.46 41.82 3kxk s ILE 333 CO 0.28 -0.57 0.21 -0.55 0.24 0.00 0.00 174.94 174.55 3kxk s SER 334 N -2.98 3.53 0.27 4.36 0.15 -1.21 -1.49 113.70 116.34 3kxk s SER 334 Ca 0.16 -2.39 0.01 0.00 0.70 0.00 0.00 55.95 54.43 3kxk s SER 334 Cb 0.06 -0.85 0.63 0.00 -1.71 0.00 0.00 66.02 64.15 3kxk s SER 334 CO -0.03 -0.30 1.71 0.00 1.20 0.00 0.00 173.24 175.82 3kxk h ALA 335 N 6.97 1.30 0.09 5.45 0.00 -1.92 0.17 119.26 131.33 3kxk h ALA 335 Ca -0.01 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kxk h ALA 335 Cb 0.95 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3kxk h ALA 335 CO 0.43 -0.28 -0.04 -0.07 0.00 0.00 0.00 179.25 179.28 3kxk h LEU 336 N 0.42 -0.10 0.00 0.00 4.07 -1.95 -3.04 115.31 114.71 3kxk h LEU 336 Ca 0.51 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 58.13 3kxk h LEU 336 Cb 0.89 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.66 3kxk h LEU 336 CO -0.49 0.29 0.00 0.29 -1.08 0.00 0.00 178.44 177.46 3kxk n LYS 337 N -4.96 0.99 -4.00 1.13 4.76 -0.91 -4.90 118.16 110.27 3kxk n LYS 337 Ca -0.08 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.06 3kxk n LYS 337 Cb 0.22 -1.49 -0.00 0.00 -1.84 0.00 0.00 35.03 31.92 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 -0.99 -4.00 -3.38 1.97 1.74 0.57 -4.95 116.66 107.62 3kxk n ARG 338 Ca 0.23 0.47 -0.38 0.00 -0.77 0.00 0.00 57.85 57.40 3kxk n ARG 338 Cb 0.11 -5.02 -0.06 0.00 -1.02 0.00 0.00 32.46 26.47 3kxk n ARG 338 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3kxk s THR 339 N -3.55 4.93 -1.32 0.55 2.01 -1.07 -4.14 115.64 113.04 3kxk s THR 339 Ca 0.40 1.01 0.00 0.00 0.31 0.00 0.00 61.69 63.41 3kxk s THR 339 Cb -0.21 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.49 3kxk s THR 339 CO 0.88 0.54 0.00 0.59 -0.69 0.00 0.00 174.62 175.93 3kxk n ASN 340 N 2.03 -5.20 0.10 3.53 3.02 -1.26 -3.30 115.26 114.18 3kxk n ASN 340 Ca -0.11 0.31 -0.04 0.00 -0.03 0.00 0.00 54.58 54.71 3kxk n ASN 340 Cb 0.52 -3.79 0.14 0.00 -0.61 0.00 0.00 39.78 36.03 3kxk n ASN 340 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3kxk h LEU 341 N 0.00 0.17 -0.07 3.41 3.38 -1.94 -2.12 115.31 118.14 3kxk h LEU 341 Ca -0.25 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 3kxk h LEU 341 Cb 1.04 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 3kxk h LEU 341 CO 0.37 0.74 0.03 -0.08 0.09 0.00 0.00 178.44 179.60 3kxk h GLU 342 N 0.11 0.11 -0.99 1.13 4.57 -1.89 0.15 114.58 117.77 3kxk h GLU 342 Ca -0.01 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.21 3kxk h GLU 342 Cb 1.11 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.61 3kxk h GLU 342 CO 0.09 0.22 0.64 1.25 -1.18 0.00 0.00 179.01 180.03 3kxk h LEU 343 N -0.02 1.04 -0.23 1.64 5.85 -1.96 -0.72 115.31 120.90 3kxk h LEU 343 Ca 0.02 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.76 3kxk h LEU 343 Cb 0.15 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3kxk h LEU 343 CO -0.00 0.68 0.13 0.25 -0.34 0.00 0.00 178.44 179.16 3kxk h LEU 344 N 1.19 0.20 -0.94 2.25 5.85 -0.83 -0.30 115.31 122.73 3kxk h LEU 344 Ca 0.41 0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.18 3kxk h LEU 344 Cb 0.10 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 3kxk h LEU 344 CO -0.16 0.15 0.61 0.03 -0.34 0.00 0.00 178.44 178.74 3kxk h ARG 345 N 0.27 1.15 -0.08 1.25 3.08 -0.07 0.13 114.38 120.11 3kxk h ARG 345 Ca 0.09 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.09 3kxk h ARG 345 Cb 0.01 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 3kxk h ARG 345 CO -0.05 0.76 -0.01 -0.44 -1.07 0.00 0.00 179.97 179.16 3kxk h ASP 346 N 1.19 -0.06 -0.74 7.04 3.32 -0.58 -0.21 116.42 126.39 3kxk h ASP 346 Ca 0.38 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 3kxk h ASP 346 Cb 0.01 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 3kxk h ASP 346 CO -0.12 -0.02 0.43 0.11 -1.72 0.00 0.00 179.24 177.92 3kxk h LYS 347 N 0.01 1.02 -0.49 3.56 1.79 -0.38 0.63 116.57 122.71 3kxk h LYS 347 Ca 0.04 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 3kxk h LYS 347 Cb 0.05 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.47 3kxk h LYS 347 CO -0.07 0.73 0.28 0.82 -1.08 0.00 0.00 179.45 180.12 3kxk h ILE 348 N 1.03 1.16 -0.29 1.86 1.08 -0.32 0.11 117.51 122.14 3kxk h ILE 348 Ca 0.27 -0.40 -0.02 0.00 -0.39 0.00 0.00 64.86 64.32 3kxk h ILE 348 Cb -0.01 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 3kxk h ILE 348 CO -0.05 0.17 0.11 0.22 -0.69 0.00 0.00 178.15 177.91 3kxk h TYR 349 N 0.65 0.45 -0.90 1.37 3.20 -0.29 0.13 116.97 121.57 3kxk h TYR 349 Ca 0.17 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.02 3kxk h TYR 349 Cb 0.03 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.12 3kxk h TYR 349 CO -0.02 0.45 0.60 1.96 -1.64 0.00 0.00 178.16 179.51 3kxk h GLN 350 N 0.32 1.17 -0.53 1.82 4.20 -0.71 0.19 115.11 121.57 3kxk h GLN 350 Ca 0.10 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 3kxk h GLN 350 Cb 0.20 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 3kxk h GLN 350 CO -0.01 0.77 0.21 1.25 -0.67 0.00 0.00 178.83 180.39 3kxk h LEU 351 N 1.20 0.73 -0.92 1.46 5.85 -0.44 0.07 115.31 123.27 3kxk h LEU 351 Ca 0.34 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3kxk h LEU 351 Cb -0.11 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 3kxk h LEU 351 CO -0.08 0.70 0.56 0.00 -0.34 0.00 0.00 178.44 179.27 3kxk h ALA 352 N 1.06 1.17 -0.30 1.25 0.00 0.02 0.54 119.26 122.99 3kxk h ALA 352 Ca 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3kxk h ALA 352 Cb 0.20 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kxk h ALA 352 CO -0.01 0.62 0.13 1.15 0.00 0.00 0.00 179.25 181.14 3kxk h THR 353 N 1.26 1.17 -0.31 0.00 2.02 -0.24 -1.25 112.91 115.55 3kxk h THR 353 Ca 0.33 -0.49 0.01 0.00 0.77 0.00 0.00 66.41 67.03 3kxk h THR 353 Cb -0.06 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3kxk h THR 353 CO -0.06 0.17 0.18 -0.61 0.37 0.00 0.00 175.52 175.57 3kxk h GLN 354 N 0.34 0.36 -0.79 6.66 4.15 -0.56 -1.21 115.11 124.05 3kxk h GLN 354 Ca 0.10 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.51 3kxk h GLN 354 Cb 0.15 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 3kxk h GLN 354 CO -0.01 0.24 0.52 -0.07 -1.93 0.00 0.00 178.83 177.58 3kxk h LEU 355 N 0.37 0.90 -0.58 -2.39 3.38 -0.74 0.22 115.31 116.47 3kxk h LEU 355 Ca 0.12 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3kxk h LEU 355 Cb 0.00 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3kxk h LEU 355 CO -0.06 0.65 -0.04 0.77 0.09 0.00 0.00 178.44 179.85 3kxk h SER 356 N 1.06 0.00 0.21 -0.43 4.64 -0.83 -3.14 113.55 115.06 3kxk h SER 356 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3kxk h SER 356 Cb -0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3kxk h SER 356 CO -0.07 0.04 -1.05 0.18 -0.87 0.00 0.00 176.83 175.06 3kxk n LEU 357 N -3.12 0.69 0.02 5.97 4.77 -0.49 -4.61 117.00 120.22 3kxk n LEU 357 Ca 0.02 -0.21 -0.07 0.00 -0.03 0.00 0.00 56.01 55.72 3kxk n LEU 357 Cb 0.46 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 3kxk n LEU 357 CO 0.32 0.14 0.50 -0.33 -1.33 0.00 0.00 177.39 176.69 3kxk h GLU 358 N 0.00 -0.26 -2.64 3.23 5.08 -0.95 -3.16 114.58 115.88 3kxk h GLU 358 Ca 0.00 0.02 -0.81 0.00 -1.00 0.00 0.00 59.36 57.57 3kxk h GLU 358 Cb 0.63 0.06 -0.28 0.00 0.50 0.00 0.00 28.75 29.66 3kxk h GLU 358 CO 0.00 -0.17 0.88 0.72 -1.00 0.00 0.00 179.01 179.44 3kxk n HIS 359 N -3.74 2.45 -4.25 4.33 8.25 -1.26 -4.98 115.22 116.02 3kxk n HIS 359 Ca -0.03 -2.57 -0.20 0.00 -0.26 0.00 0.00 57.72 54.66 3kxk n HIS 359 Cb 0.16 -1.23 -0.12 0.00 1.12 0.00 0.00 29.99 29.92 3kxk n HIS 359 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3kxk s HIS 360 N -3.43 1.34 0.00 4.41 5.04 -1.20 -5.14 115.29 116.31 3kxk s HIS 360 Ca 0.34 -0.43 0.00 0.00 -1.54 0.00 0.00 55.06 53.44 3kxk s HIS 360 Cb 0.11 -0.76 0.00 0.00 0.04 0.00 0.00 32.58 31.97 3kxk s HIS 360 CO 0.01 0.08 0.00 1.58 -2.34 0.00 0.00 174.74 174.07