#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgc s THR 5 N 0.00 4.26 -0.02 3.15 2.01 -1.26 -4.64 115.64 119.14 3kgc s THR 5 Ca 0.00 1.60 -0.30 0.00 0.31 0.00 0.00 61.69 63.30 3kgc s THR 5 Cb 0.00 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 3kgc s THR 5 CO 0.00 0.05 1.06 -0.69 -0.69 0.00 0.00 174.62 174.35 3kgc s VAL 6 N 1.75 4.59 -0.41 3.82 1.01 0.08 -4.88 120.40 126.36 3kgc s VAL 6 Ca 0.56 1.86 -0.23 0.00 0.00 0.00 0.00 61.98 64.18 3kgc s VAL 6 Cb -0.26 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 31.95 3kgc s VAL 6 CO 0.25 0.10 0.77 -0.69 0.00 0.00 0.00 175.10 175.52 3kgc s VAL 7 N 1.39 4.70 -0.22 2.92 1.01 -1.26 -1.06 120.40 127.89 3kgc s VAL 7 Ca 0.53 0.62 -0.12 0.00 0.00 0.00 0.00 61.98 63.01 3kgc s VAL 7 Cb -0.23 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 3kgc s VAL 7 CO 0.25 -0.58 0.22 -0.69 0.00 0.00 0.00 175.10 174.31 3kgc s VAL 8 N 3.18 5.33 -0.10 2.92 1.01 -0.48 -0.60 120.40 131.65 3kgc s VAL 8 Ca 0.30 0.34 -0.10 0.00 0.00 0.00 0.00 61.98 62.52 3kgc s VAL 8 Cb -0.13 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 3kgc s VAL 8 CO 0.20 0.34 0.24 0.28 0.00 0.00 0.00 175.10 176.16 3kgc s THR 9 N 0.93 5.34 0.20 3.92 -1.32 0.32 -0.65 115.64 124.38 3kgc s THR 9 Ca 0.11 0.43 -0.02 0.00 -1.21 0.00 0.00 61.69 61.01 3kgc s THR 9 Cb -0.13 -3.53 0.01 0.00 -1.51 0.00 0.00 72.50 67.34 3kgc s THR 9 CO 0.04 0.55 0.28 1.07 -2.21 0.00 0.00 174.62 174.36 3kgc n THR 10 N 2.35 0.00 -3.89 5.08 5.66 -0.38 -1.97 114.28 121.14 3kgc n THR 10 Ca -0.17 -0.95 -0.11 0.00 -3.05 0.00 0.00 64.05 59.77 3kgc n THR 10 Cb 0.53 0.60 -0.12 0.00 -1.55 0.00 0.00 70.33 69.80 3kgc n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3kgc s ILE 11 N -2.63 0.05 -0.79 1.09 2.07 -1.26 -0.64 121.20 119.08 3kgc s ILE 11 Ca 0.15 -0.39 -0.26 0.00 -1.41 0.00 0.00 60.65 58.74 3kgc s ILE 11 Cb -0.01 -0.22 0.04 0.00 0.13 0.00 0.00 42.46 42.40 3kgc s ILE 11 CO 0.11 -0.22 1.30 -0.76 -1.91 0.00 0.00 174.94 173.47 3kgc s LEU 12 N -0.66 3.26 -0.04 8.50 1.43 -1.26 -4.34 118.68 125.56 3kgc s LEU 12 Ca -0.07 -0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 52.36 3kgc s LEU 12 Cb -0.05 -2.56 0.03 0.00 0.03 0.00 0.00 46.19 43.65 3kgc s LEU 12 CO 0.00 -1.77 0.03 -0.70 0.23 0.00 0.00 176.35 174.14 3kgc s GLU 13 N 5.55 0.16 0.28 1.70 2.56 -1.05 -4.99 118.70 122.91 3kgc s GLU 13 Ca 0.37 0.22 -0.28 0.00 0.00 0.00 0.00 54.97 55.28 3kgc s GLU 13 Cb -0.07 -0.56 -0.09 0.00 2.00 0.00 0.00 34.13 35.41 3kgc s GLU 13 CO 0.10 -0.25 0.96 -1.12 -0.56 0.00 0.00 175.26 174.39 3kgc s SER 14 N 1.70 7.45 -0.29 -1.70 0.01 -1.26 -0.27 113.70 119.35 3kgc s SER 14 Ca -0.01 1.95 0.06 0.00 1.31 0.00 0.00 55.95 59.26 3kgc s SER 14 Cb -0.13 -2.60 0.57 0.00 0.21 0.00 0.00 66.02 64.07 3kgc s SER 14 CO -0.03 0.01 1.63 -0.81 0.41 0.00 0.00 173.24 174.45 3kgc n PRO 15 N 1.05 2.75 0.00 12.44 -0.04 -1.26 -4.96 135.00 144.98 3kgc n PRO 15 Ca -0.00 -2.40 -0.13 0.00 -0.04 0.00 0.00 63.50 60.94 3kgc n PRO 15 Cb 0.48 -1.99 -0.10 0.00 -0.04 0.00 0.00 33.50 31.85 3kgc n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3kgc h TYR 16 N 1.65 -0.07 -2.94 0.54 0.05 -0.96 0.38 116.97 115.63 3kgc h TYR 16 Ca 0.32 -0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.91 3kgc h TYR 16 Cb 2.17 0.02 -0.29 0.00 1.01 0.00 0.00 36.73 39.64 3kgc h TYR 16 CO 1.11 0.48 -0.45 0.08 -1.05 0.00 0.00 178.16 178.33 3kgc s VAL 17 N -3.72 -0.06 0.07 -2.88 1.01 -0.70 -0.06 120.40 114.07 3kgc s VAL 17 Ca -0.15 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 3kgc s VAL 17 Cb 0.01 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.96 3kgc s VAL 17 CO 0.62 0.06 0.24 0.00 0.00 0.00 0.00 175.10 176.02 3kgc s MET 18 N 1.36 0.82 0.10 2.72 0.23 -0.05 -2.54 119.30 121.94 3kgc s MET 18 Ca -0.09 -0.75 -0.30 0.00 -1.03 0.00 0.00 55.69 53.53 3kgc s MET 18 Cb -0.10 0.34 -0.05 0.00 -1.53 0.00 0.00 34.83 33.49 3kgc s MET 18 CO -0.09 -0.27 0.96 -1.64 -2.03 0.00 0.00 175.02 171.95 3kgc s MET 19 N -3.24 4.68 0.66 3.16 -1.94 -1.26 -0.83 119.30 120.53 3kgc s MET 19 Ca -0.00 1.45 -0.17 0.00 -1.71 0.00 0.00 55.69 55.25 3kgc s MET 19 Cb 0.02 -3.38 -0.00 0.00 2.01 0.00 0.00 34.83 33.47 3kgc s MET 19 CO -0.08 0.19 1.24 0.15 -0.01 0.00 0.00 175.02 176.51 3kgc s LYS 20 N 0.10 2.53 0.29 2.03 1.02 -0.03 -4.88 119.74 120.81 3kgc s LYS 20 Ca 0.47 1.90 0.03 0.00 0.02 0.00 0.00 55.97 58.39 3kgc s LYS 20 Cb -0.23 -1.86 0.62 0.00 -0.52 0.00 0.00 37.83 35.83 3kgc s LYS 20 CO 0.30 -1.57 1.83 1.57 -0.92 0.00 0.00 175.35 176.56 3kgc h LYS 21 N 0.36 0.90 -0.93 1.68 5.09 -1.95 -1.19 116.57 120.52 3kgc h LYS 21 Ca -0.50 -0.05 -0.35 0.00 0.09 0.00 0.00 60.65 59.84 3kgc h LYS 21 Cb 1.31 -0.20 -0.21 0.00 0.10 0.00 0.00 32.23 33.23 3kgc h LYS 21 CO 0.53 0.59 0.44 0.27 -2.09 0.00 0.00 179.45 179.19 3kgc n ASN 22 N -4.63 3.88 -0.09 7.07 6.94 -1.26 -4.71 115.26 122.46 3kgc n ASN 22 Ca 0.20 -3.22 0.15 0.00 -0.02 0.00 0.00 54.58 51.68 3kgc n ASN 22 Cb 0.40 -0.76 0.54 0.00 -2.36 0.00 0.00 39.78 37.61 3kgc n ASN 22 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 3kgc h HIS 23 N 1.32 0.36 -0.07 -2.53 2.07 -1.50 0.03 115.15 114.83 3kgc h HIS 23 Ca 0.43 0.01 0.02 0.00 -2.85 0.00 0.00 60.37 57.97 3kgc h HIS 23 Cb 2.39 -0.11 -0.00 0.00 2.57 0.00 0.00 27.41 32.26 3kgc h HIS 23 CO 1.24 0.15 0.08 0.93 -3.07 0.00 0.00 177.93 177.26 3kgc h GLU 24 N 0.32 0.00 -0.00 5.12 3.07 -1.86 -0.43 114.58 120.80 3kgc h GLU 24 Ca 0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 3kgc h GLU 24 Cb 0.75 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 3kgc h GLU 24 CO -0.08 0.00 -0.22 -1.33 -1.40 0.00 0.00 179.01 175.98 3kgc n MET 25 N -3.81 0.56 -4.25 2.33 2.81 -0.00 -4.93 117.12 109.82 3kgc n MET 25 Ca -0.01 -0.26 -0.27 0.00 -1.81 0.00 0.00 57.70 55.35 3kgc n MET 25 Cb 0.17 -1.49 -0.07 0.00 -0.71 0.00 0.00 33.22 31.12 3kgc n MET 25 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3kgc s LEU 26 N -2.62 2.88 0.03 4.03 1.43 -0.17 -5.14 118.68 119.12 3kgc s LEU 26 Ca 0.23 -1.24 -0.00 0.00 -1.03 0.00 0.00 54.13 52.09 3kgc s LEU 26 Cb 0.19 -1.22 -0.02 0.00 0.03 0.00 0.00 46.19 45.17 3kgc s LEU 26 CO 0.53 -0.68 -0.03 -1.61 0.23 0.00 0.00 176.35 174.79 3kgc s GLU 27 N -3.94 0.39 5.38 1.70 8.01 -1.26 -4.85 118.70 124.13 3kgc s GLU 27 Ca 0.33 -0.74 0.00 0.00 0.01 0.00 0.00 54.97 54.57 3kgc s GLU 27 Cb 0.03 0.10 0.00 0.00 -4.31 0.00 0.00 34.13 29.95 3kgc s GLU 27 CO 0.18 -0.05 0.00 0.41 0.01 0.00 0.00 175.26 175.81 3kgc n GLY 28 N 1.29 2.60 0.29 -1.39 0.00 -1.26 -2.30 105.19 104.43 3kgc n GLY 28 Ca -0.22 -0.40 0.15 0.00 0.00 0.00 0.00 46.02 45.55 3kgc n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3kgc h ASN 29 N 9.36 0.00 0.44 1.61 2.35 -1.92 -1.91 115.58 125.50 3kgc h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kgc h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3kgc h ASN 29 CO 0.00 0.02 0.00 -0.08 -1.65 0.00 0.00 177.43 175.72 3kgc h GLU 30 N 0.00 0.00 0.00 0.81 4.81 -1.87 -2.04 114.58 116.29 3kgc h GLU 30 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3kgc h GLU 30 Cb 0.05 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 3kgc h GLU 30 CO 0.00 0.00 -0.04 0.00 -0.73 0.00 0.00 179.01 178.24 3kgc h ARG 31 N 0.00 0.00 -6.45 1.92 3.08 -1.44 -3.45 114.38 108.03 3kgc h ARG 31 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 3kgc h ARG 31 Cb 0.22 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.13 3kgc h ARG 31 CO 0.00 0.04 -0.71 0.71 -1.07 0.00 0.00 179.97 178.94 3kgc s TYR 32 N -4.09 2.75 0.06 3.04 2.02 -0.77 -0.85 117.35 119.51 3kgc s TYR 32 Ca -0.03 -0.17 -0.03 0.00 -0.37 0.00 0.00 57.07 56.47 3kgc s TYR 32 Cb 0.12 -1.38 -0.03 0.00 -0.40 0.00 0.00 41.96 40.28 3kgc s TYR 32 CO 0.51 0.48 0.03 -1.83 -1.57 0.00 0.00 175.55 173.17 3kgc s GLU 33 N -2.60 0.68 0.00 -0.62 -1.05 -0.01 -4.83 118.70 110.26 3kgc s GLU 33 Ca 0.24 -1.14 0.00 0.00 -0.15 0.00 0.00 54.97 53.92 3kgc s GLU 33 Cb -0.10 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.84 3kgc s GLU 33 CO 0.16 -0.15 0.00 0.41 0.95 0.00 0.00 175.26 176.62 3kgc n GLY 34 N 0.07 0.82 0.20 -3.83 0.00 -1.26 -0.88 105.19 100.32 3kgc n GLY 34 Ca -0.14 -1.84 -0.03 0.00 0.00 0.00 0.00 46.02 44.01 3kgc n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3kgc h TYR 35 N 0.00 0.31 0.00 1.61 5.03 -0.43 -0.76 116.97 122.73 3kgc h TYR 35 Ca 0.00 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.25 3kgc h TYR 35 Cb 0.00 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.20 3kgc h TYR 35 CO 0.00 0.09 -0.43 0.00 -1.32 0.00 0.00 178.16 176.50 3kgc h VAL 37 N 0.00 1.23 -0.61 0.00 2.07 -1.37 0.71 116.25 118.28 3kgc h VAL 37 Ca -0.00 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 3kgc h VAL 37 Cb 1.20 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 3kgc h VAL 37 CO 0.06 0.22 0.37 0.44 0.02 0.00 0.00 177.57 178.67 3kgc h ASP 38 N 0.00 0.74 -0.52 0.57 3.32 -1.02 -2.34 116.42 117.18 3kgc h ASP 38 Ca 0.04 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 3kgc h ASP 38 Cb 0.33 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3kgc h ASP 38 CO 0.00 0.59 0.24 0.25 -1.72 0.00 0.00 179.24 178.60 3kgc h LEU 39 N 0.83 0.68 -0.69 1.55 5.85 -0.88 -1.93 115.31 120.73 3kgc h LEU 39 Ca 0.22 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.85 3kgc h LEU 39 Cb -0.01 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 3kgc h LEU 39 CO -0.04 0.63 0.41 0.00 -0.34 0.00 0.00 178.44 179.09 3kgc h ALA 40 N 1.08 0.91 -0.67 1.25 0.00 -0.67 0.67 119.26 121.83 3kgc h ALA 40 Ca 0.18 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3kgc h ALA 40 Cb 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3kgc h ALA 40 CO -0.02 0.12 0.24 0.00 0.00 0.00 0.00 179.25 179.59 3kgc h ALA 41 N 1.33 0.87 -0.30 0.00 0.00 -1.10 -0.16 119.26 119.90 3kgc h ALA 41 Ca 0.29 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3kgc h ALA 41 Cb 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kgc h ALA 41 CO -0.15 0.52 -0.07 0.93 0.00 0.00 0.00 179.25 180.48 3kgc h GLU 42 N 0.96 0.58 -0.31 0.00 4.39 -0.79 -1.29 114.58 118.12 3kgc h GLU 42 Ca 0.22 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.71 3kgc h GLU 42 Cb 0.25 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3kgc h GLU 42 CO -0.01 0.77 0.17 0.82 -1.16 0.00 0.00 179.01 179.60 3kgc h ILE 43 N 0.35 1.00 -0.73 3.13 1.08 -0.71 -1.76 117.51 119.87 3kgc h ILE 43 Ca 0.08 -0.12 -0.03 0.00 -0.39 0.00 0.00 64.86 64.39 3kgc h ILE 43 Cb 0.56 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 34.91 3kgc h ILE 43 CO 0.03 0.06 0.33 0.00 -0.69 0.00 0.00 178.15 177.88 3kgc h ALA 44 N 1.15 1.19 -0.17 1.87 0.00 -0.93 -0.05 119.26 122.33 3kgc h ALA 44 Ca 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3kgc h ALA 44 Cb 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3kgc h ALA 44 CO -0.08 0.60 0.05 -0.22 0.00 0.00 0.00 179.25 179.60 3kgc h LYS 45 N 1.05 0.26 -0.25 0.00 3.64 -0.96 0.21 116.57 120.52 3kgc h LYS 45 Ca 0.25 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 3kgc h LYS 45 Cb 0.15 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3kgc h LYS 45 CO -0.03 0.39 -0.27 0.45 -2.27 0.00 0.00 179.45 177.73 3kgc h HIS 46 N 0.08 0.54 0.00 1.91 3.86 -1.01 -2.96 115.15 117.57 3kgc h HIS 46 Ca 0.05 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3kgc h HIS 46 Cb 0.25 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.58 3kgc h HIS 46 CO 0.00 0.71 -0.54 0.00 0.86 0.00 0.00 177.93 178.96 3kgc n GLY 48 N 1.40 -0.04 3.23 0.00 0.00 0.68 -5.05 105.19 105.41 3kgc n GLY 48 Ca 0.04 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 3kgc n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kgc s PHE 49 N -3.22 1.36 0.23 1.61 -0.12 -0.78 -5.06 117.98 112.00 3kgc s PHE 49 Ca 0.02 -0.57 -0.05 0.00 -0.05 0.00 0.00 56.93 56.28 3kgc s PHE 49 Cb -0.01 -0.71 -0.05 0.00 -0.63 0.00 0.00 43.02 41.62 3kgc s PHE 49 CO 0.44 0.13 0.48 -1.59 -0.05 0.00 0.00 175.22 174.63 3kgc s LYS 50 N -2.67 3.64 0.14 1.99 0.00 -1.26 -4.63 119.74 116.95 3kgc s LYS 50 Ca 0.08 -0.02 -0.15 0.00 0.00 0.00 0.00 55.97 55.89 3kgc s LYS 50 Cb -0.05 -2.72 0.02 0.00 0.00 0.00 0.00 37.83 35.08 3kgc s LYS 50 CO 0.03 0.32 0.38 1.52 0.00 0.00 0.00 175.35 177.60 3kgc s TYR 51 N -1.90 -0.08 -0.10 1.78 1.13 -1.26 -0.74 117.35 116.18 3kgc s TYR 51 Ca 0.43 -0.27 0.01 0.00 -1.41 0.00 0.00 57.07 55.84 3kgc s TYR 51 Cb -0.11 0.20 0.02 0.00 -1.10 0.00 0.00 41.96 40.97 3kgc s TYR 51 CO 0.27 -0.72 -0.13 0.21 -2.51 0.00 0.00 175.55 172.67 3kgc s LYS 52 N -3.84 1.99 -0.06 -3.49 2.47 -0.22 -4.87 119.74 111.72 3kgc s LYS 52 Ca 0.06 -0.48 -0.30 0.00 -1.56 0.00 0.00 55.97 53.69 3kgc s LYS 52 Cb 0.02 -1.73 -0.02 0.00 -1.46 0.00 0.00 37.83 34.63 3kgc s LYS 52 CO -0.09 -0.08 1.08 -0.51 0.16 0.00 0.00 175.35 175.91 3kgc s LEU 53 N 1.03 4.29 0.05 5.43 1.43 -1.26 -1.38 118.68 128.26 3kgc s LEU 53 Ca -0.06 1.68 0.06 0.00 -1.03 0.00 0.00 54.13 54.78 3kgc s LEU 53 Cb -0.15 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.49 3kgc s LEU 53 CO -0.02 -0.46 -0.18 0.42 0.23 0.00 0.00 176.35 176.35 3kgc s THR 54 N 1.84 1.40 -0.21 5.49 -4.23 0.18 -4.88 115.64 115.23 3kgc s THR 54 Ca 0.52 -1.13 -0.12 0.00 -1.18 0.00 0.00 61.69 59.79 3kgc s THR 54 Cb -0.22 -1.25 -0.05 0.00 1.34 0.00 0.00 72.50 72.33 3kgc s THR 54 CO 0.22 0.09 0.22 -0.63 -0.54 0.00 0.00 174.62 173.98 3kgc s ILE 55 N -0.85 5.33 0.13 2.99 -1.09 -1.26 -1.24 121.20 125.21 3kgc s ILE 55 Ca 0.05 0.33 -0.34 0.00 -2.23 0.00 0.00 60.65 58.45 3kgc s ILE 55 Cb -0.08 -3.56 -0.14 0.00 -1.58 0.00 0.00 42.46 37.10 3kgc s ILE 55 CO 0.02 0.35 1.55 0.55 -1.23 0.00 0.00 174.94 176.17 3kgc n VAL 56 N 4.05 0.03 -0.23 2.92 3.14 0.19 -4.88 118.33 123.54 3kgc n VAL 56 Ca -0.13 -0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.21 3kgc n VAL 56 Cb 0.52 -1.41 0.07 0.00 -1.06 0.00 0.00 33.84 31.96 3kgc n VAL 56 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3kgc h GLY 57 N 5.80 0.96 -0.57 7.55 0.00 -1.94 -3.02 103.07 111.85 3kgc h GLY 57 Ca -0.46 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.57 3kgc h GLY 57 CO 0.87 0.24 -0.01 2.09 0.00 0.00 0.00 176.54 179.73 3kgc n ASP 58 N -4.71 1.62 -1.53 0.19 5.68 -1.26 -4.94 116.55 111.60 3kgc n ASP 58 Ca 0.07 -1.52 -0.16 0.00 -0.50 0.00 0.00 54.79 52.68 3kgc n ASP 58 Cb 0.10 0.01 -0.04 0.00 -1.14 0.00 0.00 41.12 40.05 3kgc n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kgc n GLY 59 N 1.20 0.65 3.56 6.12 0.00 -1.14 -4.97 105.19 110.60 3kgc n GLY 59 Ca 0.18 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 3kgc n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kgc s LYS 60 N -4.09 2.02 -0.09 1.61 1.02 -1.26 -5.06 119.74 113.89 3kgc s LYS 60 Ca 0.00 -1.34 -0.14 0.00 0.02 0.00 0.00 55.97 54.51 3kgc s LYS 60 Cb 0.00 -2.11 -0.11 0.00 -0.52 0.00 0.00 37.83 35.10 3kgc s LYS 60 CO 0.00 0.42 0.46 1.88 -0.92 0.00 0.00 175.35 177.19 3kgc h TYR 61 N 2.76 -0.11 0.00 3.18 -1.99 -1.93 -2.31 116.97 116.57 3kgc h TYR 61 Ca -0.46 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.27 3kgc h TYR 61 Cb 1.21 0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.98 3kgc h TYR 61 CO 0.67 0.24 0.00 0.41 -0.00 0.00 0.00 178.16 179.48 3kgc n GLY 62 N 1.28 2.76 3.19 3.88 0.00 -1.26 -1.56 105.19 113.48 3kgc n GLY 62 Ca -0.05 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 3kgc n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgc s ALA 63 N 0.00 -0.32 -0.25 4.61 0.00 -1.26 -4.91 121.76 119.63 3kgc s ALA 63 Ca 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 51.96 51.47 3kgc s ALA 63 Cb 0.00 0.34 -0.05 0.00 0.00 0.00 0.00 23.12 23.41 3kgc s ALA 63 CO 0.00 -0.40 0.16 0.50 0.00 0.00 0.00 175.76 176.02 3kgc s ARG 64 N -2.95 4.03 0.13 0.00 3.52 -1.26 -1.31 118.95 121.11 3kgc s ARG 64 Ca -0.02 -0.29 -0.31 0.00 -0.13 0.00 0.00 55.73 54.98 3kgc s ARG 64 Cb 0.01 -3.56 -0.09 0.00 -1.56 0.00 0.00 34.95 29.75 3kgc s ARG 64 CO -0.06 0.00 1.48 0.34 -0.81 0.00 0.00 175.30 176.25 3kgc s ASP 65 N 1.23 6.71 0.41 -2.12 -1.08 -0.54 -4.91 116.67 116.37 3kgc s ASP 65 Ca 0.07 2.46 0.11 0.00 -0.52 0.00 0.00 52.55 54.67 3kgc s ASP 65 Cb -0.14 -2.59 0.86 0.00 -1.46 0.00 0.00 42.92 39.59 3kgc s ASP 65 CO 0.06 -0.74 1.95 0.00 0.52 0.00 0.00 175.17 176.96 3kgc h ALA 66 N 6.87 1.59 0.00 3.66 0.00 -1.96 0.67 119.26 130.09 3kgc h ALA 66 Ca -0.42 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.25 3kgc h ALA 66 Cb 1.21 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3kgc h ALA 66 CO 0.89 0.30 -0.53 0.38 0.00 0.00 0.00 179.25 180.29 3kgc h ASP 67 N 0.18 0.00 1.79 0.00 3.04 -1.99 -3.40 116.42 116.05 3kgc h ASP 67 Ca 0.04 -0.26 -0.03 0.00 -3.24 0.00 0.00 57.03 53.53 3kgc h ASP 67 Cb 0.32 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.61 3kgc h ASP 67 CO 0.02 0.92 -0.21 0.71 -2.04 0.00 0.00 179.24 178.64 3kgc h THR 68 N -1.00 0.24 0.00 1.15 1.35 -1.98 -3.47 112.91 109.20 3kgc h THR 68 Ca -0.09 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.42 3kgc h THR 68 Cb 0.67 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 3kgc h THR 68 CO -0.06 0.14 0.00 0.29 -0.25 0.00 0.00 175.52 175.64 3kgc n LYS 69 N -3.11 -0.78 -2.90 4.72 4.76 0.23 -5.00 118.16 116.08 3kgc n LYS 69 Ca 0.03 0.20 -0.40 0.00 -2.87 0.00 0.00 58.31 55.26 3kgc n LYS 69 Cb 0.59 -3.86 -0.05 0.00 -1.84 0.00 0.00 35.03 29.87 3kgc n LYS 69 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kgc s ILE 70 N -1.71 4.66 -0.02 -0.18 1.01 -1.26 -4.66 121.20 119.05 3kgc s ILE 70 Ca 0.00 1.77 -0.26 0.00 0.00 0.00 0.00 60.65 62.16 3kgc s ILE 70 Cb 0.00 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 3kgc s ILE 70 CO 0.00 0.35 0.81 0.26 0.00 0.00 0.00 174.94 176.36 3kgc s TRP 71 N -0.02 3.63 0.38 3.97 0.52 -1.26 -1.46 118.94 124.70 3kgc s TRP 71 Ca 0.41 1.45 0.06 0.00 0.02 0.00 0.00 56.10 58.05 3kgc s TRP 71 Cb -0.21 -2.92 0.06 0.00 -1.15 0.00 0.00 33.47 29.25 3kgc s TRP 71 CO 0.25 0.08 0.53 0.27 0.02 0.00 0.00 176.95 178.10 3kgc n ASN 72 N 3.67 1.40 -0.17 2.95 0.23 -0.43 -4.21 115.26 118.70 3kgc n ASN 72 Ca 0.01 -2.02 0.00 0.00 -0.53 0.00 0.00 54.58 52.05 3kgc n ASN 72 Cb 0.51 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 3kgc n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kgc n GLY 73 N 0.34 -0.19 0.31 4.83 0.00 -1.26 -1.09 105.19 108.14 3kgc n GLY 73 Ca 0.11 -1.02 -0.00 0.00 0.00 0.00 0.00 46.02 45.11 3kgc n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3kgc h MET 74 N 0.00 0.79 -0.32 1.61 2.86 -0.69 -1.90 114.93 117.28 3kgc h MET 74 Ca 0.00 -0.10 0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3kgc h MET 74 Cb 0.00 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.48 3kgc h MET 74 CO 0.00 0.62 0.16 0.28 1.06 0.00 0.00 176.91 179.03 3kgc h VAL 75 N 0.79 0.98 -0.84 -2.22 2.07 -1.48 -1.92 116.25 113.64 3kgc h VAL 75 Ca 0.19 -0.11 0.07 0.00 0.82 0.00 0.00 66.70 67.67 3kgc h VAL 75 Cb 0.10 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 3kgc h VAL 75 CO -0.02 0.06 0.51 1.23 0.02 0.00 0.00 177.57 179.37 3kgc h GLY 76 N 0.33 1.28 1.27 2.17 0.00 -0.61 0.85 103.07 108.35 3kgc h GLY 76 Ca 0.13 -0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.12 3kgc h GLY 76 CO -0.10 0.23 0.46 0.83 0.00 0.00 0.00 176.54 177.96 3kgc h GLU 77 N 0.91 0.88 -0.02 4.80 4.39 -0.60 -0.47 114.58 124.48 3kgc h GLU 77 Ca 0.38 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.98 3kgc h GLU 77 Cb 0.22 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3kgc h GLU 77 CO -0.19 0.58 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.01 3kgc h LEU 78 N 0.90 0.17 -0.84 1.33 3.38 -0.86 0.43 115.31 119.82 3kgc h LEU 78 Ca 0.26 -0.71 0.04 0.00 0.09 0.00 0.00 57.88 57.57 3kgc h LEU 78 Cb -0.04 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 3kgc h LEU 78 CO -0.06 0.85 0.53 0.58 0.09 0.00 0.00 178.44 180.42 3kgc h VAL 79 N -0.50 1.10 -0.30 1.22 2.07 -0.42 -1.67 116.25 117.75 3kgc h VAL 79 Ca -0.01 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3kgc h VAL 79 Cb 0.86 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3kgc h VAL 79 CO 0.03 0.18 0.00 -1.22 0.02 0.00 0.00 177.57 176.59 3kgc n TYR 80 N -4.59 0.39 -2.09 1.57 4.01 -0.22 -4.94 117.16 111.28 3kgc n TYR 80 Ca 0.11 -0.19 -0.04 0.00 -0.16 0.00 0.00 57.90 57.62 3kgc n TYR 80 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.15 3kgc n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kgc n GLY 81 N 1.28 0.23 0.09 2.72 0.00 -0.63 -4.95 105.19 103.93 3kgc n GLY 81 Ca 0.17 -0.72 0.05 0.00 0.00 0.00 0.00 46.02 45.52 3kgc n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kgc n LYS 82 N -1.36 0.63 -4.24 1.61 4.76 0.14 -4.94 118.16 114.77 3kgc n LYS 82 Ca -0.04 0.09 -0.15 0.00 -2.87 0.00 0.00 58.31 55.34 3kgc n LYS 82 Cb 0.53 -1.74 -0.10 0.00 -1.84 0.00 0.00 35.03 31.88 3kgc n LYS 82 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kgc s ALA 83 N -3.14 1.45 -0.14 7.82 0.00 -0.70 -5.00 121.76 122.04 3kgc s ALA 83 Ca -0.04 -1.40 0.19 0.00 0.00 0.00 0.00 51.96 50.71 3kgc s ALA 83 Cb 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 23.12 23.06 3kgc s ALA 83 CO 0.82 -0.02 0.72 -0.25 0.00 0.00 0.00 175.76 177.03 3kgc n ASP 84 N 0.11 0.62 -3.56 0.00 8.00 0.23 -4.50 116.55 117.44 3kgc n ASP 84 Ca -0.12 0.26 -0.15 0.00 0.71 0.00 0.00 54.79 55.49 3kgc n ASP 84 Cb 0.59 0.61 -0.06 0.00 -0.02 0.00 0.00 41.12 42.24 3kgc n ASP 84 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3kgc s ILE 85 N -3.05 0.00 -0.17 0.53 2.07 -1.06 -4.26 121.20 115.26 3kgc s ILE 85 Ca -0.04 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.19 3kgc s ILE 85 Cb 0.09 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.68 3kgc s ILE 85 CO 0.83 0.00 -0.12 0.00 -1.91 0.00 0.00 174.94 173.74 3kgc s ALA 86 N -0.78 2.61 -0.38 1.50 0.00 0.19 -0.52 121.76 124.39 3kgc s ALA 86 Ca -0.06 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 50.89 3kgc s ALA 86 Cb -0.01 -1.34 0.11 0.00 0.00 0.00 0.00 23.12 21.87 3kgc s ALA 86 CO 0.06 -0.07 0.12 0.42 0.00 0.00 0.00 175.76 176.28 3kgc s ILE 87 N 0.87 1.96 0.16 0.00 1.01 -0.83 -2.06 121.20 122.31 3kgc s ILE 87 Ca -0.03 -2.35 -0.24 0.00 0.00 0.00 0.00 60.65 58.03 3kgc s ILE 87 Cb -0.15 -2.43 0.06 0.00 0.01 0.00 0.00 42.46 39.95 3kgc s ILE 87 CO -0.00 -0.68 0.83 0.00 0.00 0.00 0.00 174.94 175.09 3kgc s ALA 88 N 0.78 -1.56 -1.23 9.38 0.00 -1.26 -4.61 121.76 123.27 3kgc s ALA 88 Ca 0.12 0.21 -0.17 0.00 0.00 0.00 0.00 51.96 52.12 3kgc s ALA 88 Cb -0.20 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 3kgc s ALA 88 CO -0.09 -0.94 2.05 -0.35 0.00 0.00 0.00 175.76 176.42 3kgc n PRO 89 N -0.42 2.45 -3.62 0.00 -0.04 -1.26 -4.63 135.00 127.48 3kgc n PRO 89 Ca -0.07 -2.50 -0.39 0.00 -0.04 0.00 0.00 63.50 60.50 3kgc n PRO 89 Cb 0.61 -3.26 -0.11 0.00 -0.04 0.00 0.00 33.50 30.70 3kgc n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3kgc s LEU 90 N 2.94 4.16 0.12 1.53 2.96 -1.26 -4.97 118.68 124.17 3kgc s LEU 90 Ca 0.53 -0.43 -0.31 0.00 -0.22 0.00 0.00 54.13 53.70 3kgc s LEU 90 Cb 0.11 -2.04 -0.07 0.00 0.50 0.00 0.00 46.19 44.69 3kgc s LEU 90 CO 0.01 -0.18 1.27 -0.89 -1.32 0.00 0.00 176.35 175.24 3kgc s THR 91 N 1.65 3.61 -0.30 3.68 2.01 -1.26 -1.23 115.64 123.81 3kgc s THR 91 Ca 0.05 1.22 -0.29 0.00 0.31 0.00 0.00 61.69 62.99 3kgc s THR 91 Cb -0.17 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 3kgc s THR 91 CO 0.08 0.13 1.43 -0.63 -0.69 0.00 0.00 174.62 174.94 3kgc s ILE 92 N 0.68 3.94 0.12 1.82 1.01 -0.09 -4.88 121.20 123.81 3kgc s ILE 92 Ca 0.59 1.04 0.04 0.00 0.00 0.00 0.00 60.65 62.32 3kgc s ILE 92 Cb -0.33 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 3kgc s ILE 92 CO 0.32 -0.47 -0.10 0.42 0.00 0.00 0.00 174.94 175.11 3kgc s THR 93 N 4.91 1.02 0.11 2.92 -4.23 -1.26 -4.72 115.64 114.39 3kgc s THR 93 Ca 0.62 -1.91 -0.23 0.00 -1.18 0.00 0.00 61.69 58.99 3kgc s THR 93 Cb -0.19 -1.67 -0.09 0.00 1.34 0.00 0.00 72.50 71.90 3kgc s THR 93 CO 0.27 -0.71 1.69 0.25 -0.54 0.00 0.00 174.62 175.59 3kgc h LEU 94 N 3.06 -0.29 -1.38 4.79 5.85 -1.98 -0.09 115.31 125.26 3kgc h LEU 94 Ca -0.37 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.34 3kgc h LEU 94 Cb 1.19 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 3kgc h LEU 94 CO 0.60 -0.15 -0.23 -0.37 -0.34 0.00 0.00 178.44 177.96 3kgc h VAL 95 N -0.17 1.20 -0.07 1.05 -1.51 -2.00 -1.80 116.25 112.95 3kgc h VAL 95 Ca 0.04 -0.94 -0.18 0.00 -1.23 0.00 0.00 66.70 64.39 3kgc h VAL 95 Cb 0.22 1.41 0.01 0.00 -2.13 0.00 0.00 31.29 30.80 3kgc h VAL 95 CO -0.11 0.28 -0.67 0.03 -1.23 0.00 0.00 177.57 175.88 3kgc h ARG 96 N 0.11 0.57 0.00 5.19 3.08 -1.86 -3.19 114.38 118.28 3kgc h ARG 96 Ca 0.02 -0.52 -0.00 0.00 0.07 0.00 0.00 59.98 59.54 3kgc h ARG 96 Cb 0.47 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 3kgc h ARG 96 CO 0.03 1.15 -0.01 0.93 -1.07 0.00 0.00 179.97 181.00 3kgc h GLU 97 N 0.18 0.00 0.00 0.04 4.39 -0.53 0.19 114.58 118.85 3kgc h GLU 97 Ca -0.06 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 3kgc h GLU 97 Cb 1.33 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.97 3kgc h GLU 97 CO 0.13 0.01 -0.15 0.93 -1.16 0.00 0.00 179.01 178.78 3kgc h GLU 98 N 0.00 0.00 0.00 2.33 5.08 -1.33 -3.36 114.58 117.31 3kgc h GLU 98 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kgc h GLU 98 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3kgc h GLU 98 CO 0.00 0.15 -0.81 1.33 -1.00 0.00 0.00 179.01 178.68 3kgc n VAL 99 N -3.32 0.00 -4.32 3.13 0.24 -0.34 -5.07 118.33 108.65 3kgc n VAL 99 Ca 0.00 -0.07 -0.17 0.00 -2.04 0.00 0.00 64.34 62.07 3kgc n VAL 99 Cb 0.37 0.55 -0.10 0.00 -1.47 0.00 0.00 33.84 33.19 3kgc n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3kgc s ILE 100 N -1.76 0.67 -0.09 1.34 -4.36 -0.09 -4.14 121.20 112.77 3kgc s ILE 100 Ca 0.00 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.33 3kgc s ILE 100 Cb 0.00 -2.57 -0.04 0.00 1.25 0.00 0.00 42.46 41.10 3kgc s ILE 100 CO 0.00 -0.08 0.15 -1.81 0.24 0.00 0.00 174.94 173.44 3kgc s ASP 101 N -3.31 6.37 0.01 4.36 1.01 -0.09 -4.32 116.67 120.70 3kgc s ASP 101 Ca 0.35 0.43 0.07 0.00 0.71 0.00 0.00 52.55 54.12 3kgc s ASP 101 Cb 0.08 -2.04 -0.03 0.00 1.01 0.00 0.00 42.92 41.94 3kgc s ASP 101 CO 0.12 0.37 -0.22 -0.36 0.21 0.00 0.00 175.17 175.29 3kgc s PHE 102 N -1.11 2.44 0.96 4.23 0.08 -1.26 -1.02 117.98 122.30 3kgc s PHE 102 Ca 0.19 -0.34 -0.12 0.00 0.12 0.00 0.00 56.93 56.78 3kgc s PHE 102 Cb -0.12 -1.48 0.16 0.00 -0.57 0.00 0.00 43.02 41.01 3kgc s PHE 102 CO 0.08 0.12 1.09 -1.54 -0.10 0.00 0.00 175.22 174.87 3kgc s SER 103 N -1.02 2.89 0.60 1.36 1.04 0.47 -4.96 113.70 114.07 3kgc s SER 103 Ca 0.12 1.52 -0.18 0.00 0.48 0.00 0.00 55.95 57.89 3kgc s SER 103 Cb -0.10 -2.19 -0.05 0.00 0.10 0.00 0.00 66.02 63.78 3kgc s SER 103 CO 0.02 -3.01 0.93 0.29 0.98 0.00 0.00 173.24 172.45 3kgc n LYS 104 N -4.13 0.88 -2.02 4.02 4.76 -1.26 -4.52 118.16 115.89 3kgc n LYS 104 Ca 0.07 0.34 -0.39 0.00 -2.87 0.00 0.00 58.31 55.46 3kgc n LYS 104 Cb 0.55 -2.13 0.01 0.00 -1.84 0.00 0.00 35.03 31.62 3kgc n LYS 104 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3kgc s PRO 105 N -2.69 3.72 0.00 1.97 0.04 -1.26 -4.60 135.00 132.18 3kgc s PRO 105 Ca 0.75 2.11 0.22 0.00 0.04 0.00 0.00 61.00 64.12 3kgc s PRO 105 Cb -0.42 -2.56 -0.07 0.00 0.04 0.00 0.00 34.50 31.49 3kgc s PRO 105 CO 0.48 -0.69 1.01 1.97 0.04 0.00 0.00 177.00 179.81 3kgc n PHE 106 N -0.29 0.01 -3.73 0.56 1.16 0.25 -4.95 117.46 110.48 3kgc n PHE 106 Ca 0.06 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.51 3kgc n PHE 106 Cb 0.45 -0.07 -0.09 0.00 -1.61 0.00 0.00 39.48 38.15 3kgc n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 3kgc s MET 107 N -3.01 0.59 0.09 3.97 0.00 -1.23 -4.98 119.30 114.72 3kgc s MET 107 Ca 0.08 0.29 -0.01 0.00 0.00 0.00 0.00 55.69 56.06 3kgc s MET 107 Cb 0.16 0.28 -0.04 0.00 0.00 0.00 0.00 34.83 35.23 3kgc s MET 107 CO 0.83 -0.12 0.25 -1.54 0.00 0.00 0.00 175.02 174.45 3kgc s SER 108 N -0.41 6.38 0.20 1.11 1.04 -1.26 -1.55 113.70 119.20 3kgc s SER 108 Ca -0.05 0.32 -0.18 0.00 0.48 0.00 0.00 55.95 56.51 3kgc s SER 108 Cb -0.03 -1.98 0.03 0.00 0.10 0.00 0.00 66.02 64.14 3kgc s SER 108 CO 0.03 0.13 0.55 -1.48 0.98 0.00 0.00 173.24 173.44 3kgc s LEU 109 N -2.66 -0.01 0.07 2.42 2.34 -0.75 -4.80 118.68 115.27 3kgc s LEU 109 Ca 0.36 -0.44 -0.26 0.00 0.06 0.00 0.00 54.13 53.84 3kgc s LEU 109 Cb -0.13 2.23 0.09 0.00 -0.56 0.00 0.00 46.19 47.82 3kgc s LEU 109 CO 0.28 -1.07 0.80 -0.83 -1.06 0.00 0.00 176.35 174.47 3kgc s GLY 110 N -2.86 -0.48 0.30 -3.48 0.00 -1.26 -0.94 107.32 98.60 3kgc s GLY 110 Ca 0.09 0.74 -0.29 0.00 0.00 0.00 0.00 44.72 45.25 3kgc s GLY 110 CO -0.03 0.24 1.43 -0.42 0.00 0.00 0.00 173.10 174.32 3kgc s ILE 111 N -3.35 2.49 0.22 0.90 1.01 -1.26 0.10 121.20 121.31 3kgc s ILE 111 Ca 0.05 0.45 -0.03 0.00 0.00 0.00 0.00 60.65 61.11 3kgc s ILE 111 Cb -0.01 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 3kgc s ILE 111 CO -0.09 0.09 0.22 -0.94 0.00 0.00 0.00 174.94 174.22 3kgc s SER 112 N 0.04 0.17 -0.15 3.58 1.04 0.29 -0.67 113.70 117.99 3kgc s SER 112 Ca 0.56 -1.30 -0.02 0.00 0.48 0.00 0.00 55.95 55.66 3kgc s SER 112 Cb -0.43 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.11 3kgc s SER 112 CO 0.50 -0.93 -0.08 -0.63 0.98 0.00 0.00 173.24 173.09 3kgc s ILE 113 N -4.08 3.51 -0.20 -1.02 1.01 -1.25 -1.44 121.20 117.73 3kgc s ILE 113 Ca 0.35 -0.49 -0.05 0.00 0.00 0.00 0.00 60.65 60.45 3kgc s ILE 113 Cb 0.05 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 3kgc s ILE 113 CO 0.12 0.50 0.01 -0.32 0.00 0.00 0.00 174.94 175.25 3kgc s MET 114 N 0.42 3.67 0.29 2.79 -2.45 0.34 -1.78 119.30 122.58 3kgc s MET 114 Ca -0.07 -0.50 0.11 0.00 -1.25 0.00 0.00 55.69 53.99 3kgc s MET 114 Cb -0.15 -3.10 -0.05 0.00 1.25 0.00 0.00 34.83 32.78 3kgc s MET 114 CO 0.04 0.05 -0.15 0.96 1.05 0.00 0.00 175.02 176.96 3kgc s ILE 115 N 0.92 2.52 0.18 10.11 -4.36 -0.49 -1.31 121.20 128.76 3kgc s ILE 115 Ca 0.02 -2.31 -0.30 0.00 -0.26 0.00 0.00 60.65 57.80 3kgc s ILE 115 Cb -0.14 -2.44 -0.08 0.00 1.25 0.00 0.00 42.46 41.05 3kgc s ILE 115 CO 0.02 -0.35 1.07 -0.75 0.24 0.00 0.00 174.94 175.17 3kgc s LYS 116 N -3.55 4.63 0.17 0.37 2.20 -1.26 -1.15 119.74 121.15 3kgc s LYS 116 Ca 0.31 1.67 -0.33 0.00 -0.36 0.00 0.00 55.97 57.26 3kgc s LYS 116 Cb -0.03 -3.29 -0.15 0.00 -1.51 0.00 0.00 37.83 32.85 3kgc s LYS 116 CO 0.16 0.14 1.29 1.63 -0.36 0.00 0.00 175.35 178.20 3kgc n LYS 117 N 2.29 1.45 0.00 4.03 5.02 0.06 -1.82 118.16 129.19 3kgc n LYS 117 Ca 0.02 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 3kgc n LYS 117 Cb 0.47 -2.11 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 3kgc n LYS 117 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kgc n GLY 118 N 2.26 2.28 3.69 0.72 0.00 -1.26 -4.96 105.19 107.92 3kgc n GLY 118 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3kgc n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kgc s THR 119 N -2.56 3.19 -1.34 2.61 2.01 -0.76 -4.89 115.64 113.89 3kgc s THR 119 Ca 0.00 0.61 -0.11 0.00 0.31 0.00 0.00 61.69 62.50 3kgc s THR 119 Cb 0.00 -3.39 -0.06 0.00 0.01 0.00 0.00 72.50 69.06 3kgc s THR 119 CO 0.00 -0.00 2.49 -0.81 -0.69 0.00 0.00 174.62 175.61 3kgc n PRO 120 N 5.61 2.91 -4.05 4.92 -0.04 -1.26 -4.81 135.00 138.29 3kgc n PRO 120 Ca 0.15 -2.10 -0.18 0.00 -0.04 0.00 0.00 63.50 61.33 3kgc n PRO 120 Cb 0.41 -2.86 -0.16 0.00 -0.04 0.00 0.00 33.50 30.85 3kgc n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kgc s ILE 121 N 3.00 0.34 0.00 0.52 -1.09 -1.26 -5.02 121.20 117.69 3kgc s ILE 121 Ca 0.56 -0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.96 3kgc s ILE 121 Cb 0.15 -0.39 0.00 0.00 -1.58 0.00 0.00 42.46 40.64 3kgc s ILE 121 CO -0.04 0.17 0.22 -0.62 -1.23 0.00 0.00 174.94 173.44 3kgc n GLU 122 N 3.98 2.89 -3.61 2.79 4.71 -1.26 -4.94 120.64 125.19 3kgc n GLU 122 Ca -0.25 -0.22 -0.08 0.00 -0.01 0.00 0.00 57.16 56.60 3kgc n GLU 122 Cb 0.51 -0.70 -0.02 0.00 -1.01 0.00 0.00 31.44 30.23 3kgc n GLU 122 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3kgc s SER 123 N -0.48 -0.35 0.22 1.62 1.04 -1.26 -2.58 113.70 111.91 3kgc s SER 123 Ca 0.00 -0.22 -0.08 0.00 0.48 0.00 0.00 55.95 56.13 3kgc s SER 123 Cb 0.00 0.53 0.23 0.00 0.10 0.00 0.00 66.02 66.88 3kgc s SER 123 CO 0.00 -0.92 1.86 0.00 0.98 0.00 0.00 173.24 175.16 3kgc h ALA 124 N 2.00 1.03 -0.85 5.32 0.00 -1.91 -2.32 119.26 122.53 3kgc h ALA 124 Ca -0.25 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.66 3kgc h ALA 124 Cb 1.26 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 3kgc h ALA 124 CO 0.30 0.30 0.54 1.49 0.00 0.00 0.00 179.25 181.89 3kgc h GLU 125 N 0.97 1.03 -0.38 0.00 4.81 -1.95 -0.28 114.58 118.77 3kgc h GLU 125 Ca 0.31 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.54 3kgc h GLU 125 Cb 0.02 -0.23 -0.05 0.00 0.63 0.00 0.00 28.75 29.12 3kgc h GLU 125 CO -0.11 0.68 0.08 -0.44 -0.73 0.00 0.00 179.01 178.49 3kgc h ASP 126 N 1.06 0.03 -0.70 1.04 3.45 -1.82 -2.41 116.42 117.06 3kgc h ASP 126 Ca 0.34 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.86 3kgc h ASP 126 Cb 0.01 0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 38.82 3kgc h ASP 126 CO -0.12 0.05 0.45 -0.07 -1.57 0.00 0.00 179.24 177.98 3kgc h LEU 127 N 0.21 0.82 -1.86 1.55 3.38 -0.88 -3.07 115.31 115.47 3kgc h LEU 127 Ca 0.18 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3kgc h LEU 127 Cb 0.21 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kgc h LEU 127 CO -0.23 0.62 -0.14 0.77 0.09 0.00 0.00 178.44 179.55 3kgc h SER 128 N 0.95 0.00 -0.01 -0.43 4.64 -0.59 -2.64 113.55 115.48 3kgc h SER 128 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3kgc h SER 128 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3kgc h SER 128 CO -0.05 0.14 0.00 0.29 -0.87 0.00 0.00 176.83 176.33 3kgc n LYS 129 N -3.83 1.27 -4.03 4.77 5.02 -1.09 -4.84 118.16 115.43 3kgc n LYS 129 Ca -0.02 -0.39 -0.10 0.00 -2.02 0.00 0.00 58.31 55.78 3kgc n LYS 129 Cb 0.24 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 3kgc n LYS 129 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3kgc s GLN 130 N -1.99 1.53 0.00 1.97 1.03 -1.00 -5.07 119.66 116.13 3kgc s GLN 130 Ca 0.43 -1.33 0.00 0.00 0.04 0.00 0.00 55.36 54.50 3kgc s GLN 130 Cb 0.21 0.44 0.00 0.00 0.03 0.00 0.00 33.01 33.69 3kgc s GLN 130 CO 0.35 -0.62 0.00 0.25 -2.54 0.00 0.00 175.29 172.72 3kgc n THR 131 N -0.38 0.00 -0.27 3.63 -2.24 -1.26 -4.85 114.28 108.91 3kgc n THR 131 Ca -0.01 -0.11 -0.04 0.00 -2.27 0.00 0.00 64.05 61.62 3kgc n THR 131 Cb 0.62 0.89 0.07 0.00 -2.10 0.00 0.00 70.33 69.82 3kgc n THR 131 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3kgc h GLU 132 N 0.00 0.96 -4.84 -0.78 4.57 -1.96 -3.32 114.58 109.22 3kgc h GLU 132 Ca 0.00 -0.06 -0.70 0.00 -1.18 0.00 0.00 59.36 57.43 3kgc h GLU 132 Cb 0.00 -0.22 -0.19 0.00 -0.16 0.00 0.00 28.75 28.18 3kgc h GLU 132 CO 0.00 0.64 -0.12 0.42 -1.18 0.00 0.00 179.01 178.77 3kgc s ILE 133 N -6.13 5.02 0.67 2.32 1.01 -1.26 -4.86 121.20 117.98 3kgc s ILE 133 Ca -0.13 -0.48 -0.14 0.00 0.00 0.00 0.00 60.65 59.90 3kgc s ILE 133 Cb 0.15 -4.15 0.01 0.00 0.01 0.00 0.00 42.46 38.48 3kgc s ILE 133 CO 0.78 -0.59 1.10 0.00 0.00 0.00 0.00 174.94 176.23 3kgc s ALA 134 N 2.26 2.46 -0.03 9.38 0.00 -0.14 -4.85 121.76 130.85 3kgc s ALA 134 Ca 0.12 0.47 -0.19 0.00 0.00 0.00 0.00 51.96 52.37 3kgc s ALA 134 Cb -0.19 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.67 3kgc s ALA 134 CO 0.12 -1.32 0.40 1.52 0.00 0.00 0.00 175.76 176.49 3kgc s TYR 135 N -2.46 -0.30 0.00 0.00 1.13 -1.26 -0.68 117.35 113.77 3kgc s TYR 135 Ca 0.65 0.49 0.00 0.00 -1.41 0.00 0.00 57.07 56.81 3kgc s TYR 135 Cb -0.19 0.17 0.00 0.00 -1.10 0.00 0.00 41.96 40.84 3kgc s TYR 135 CO 0.44 -0.44 0.00 0.41 -2.51 0.00 0.00 175.55 173.45 3kgc n GLY 136 N 1.22 1.67 2.11 5.49 0.00 -1.00 -4.81 105.19 109.87 3kgc n GLY 136 Ca -0.21 -0.87 -0.07 0.00 0.00 0.00 0.00 46.02 44.88 3kgc n GLY 136 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3kgc n THR 137 N 0.00 0.00 -1.70 2.61 5.66 -1.24 -0.74 114.28 118.87 3kgc n THR 137 Ca 0.00 -0.82 -0.43 0.00 -3.05 0.00 0.00 64.05 59.74 3kgc n THR 137 Cb 0.00 0.62 -0.02 0.00 -1.55 0.00 0.00 70.33 69.38 3kgc n THR 137 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3kgc n LEU 138 N 0.00 3.55 0.10 1.09 4.77 -1.26 -1.50 117.00 123.76 3kgc n LEU 138 Ca -0.02 1.16 0.11 0.00 -0.03 0.00 0.00 56.01 57.22 3kgc n LEU 138 Cb 0.35 -1.49 0.45 0.00 -2.33 0.00 0.00 43.42 40.41 3kgc n LEU 138 CO 0.17 -0.31 0.82 -0.67 -1.33 0.00 0.00 177.39 176.07 3kgc n ASP 139 N 1.85 0.52 -3.75 -1.43 2.03 0.25 -4.46 116.55 111.56 3kgc n ASP 139 Ca 0.09 0.64 -0.14 0.00 0.52 0.00 0.00 54.79 55.90 3kgc n ASP 139 Cb 0.34 -0.74 -0.15 0.00 -0.72 0.00 0.00 41.12 39.84 3kgc n ASP 139 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3kgc s SER 140 N -3.97 -0.03 0.00 1.67 0.01 -1.26 -5.04 113.70 105.07 3kgc s SER 140 Ca 0.04 0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.51 3kgc s SER 140 Cb 0.09 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.42 3kgc s SER 140 CO 0.35 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.46 3kgc n GLY 141 N 4.23 -0.55 0.19 3.44 0.00 -1.26 -4.95 105.19 106.29 3kgc n GLY 141 Ca -0.27 -1.60 -0.00 0.00 0.00 0.00 0.00 46.02 44.16 3kgc n GLY 141 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kgc h SER 142 N 0.00 0.16 -0.22 1.61 4.64 -1.98 -1.95 113.55 115.81 3kgc h SER 142 Ca 0.00 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 3kgc h SER 142 Cb 0.00 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3kgc h SER 142 CO 0.00 0.54 -0.05 0.74 -0.87 0.00 0.00 176.83 177.19 3kgc h THR 143 N 0.14 1.28 -0.47 2.95 2.02 -1.92 0.37 112.91 117.28 3kgc h THR 143 Ca 0.01 -1.03 0.03 0.00 0.77 0.00 0.00 66.41 66.19 3kgc h THR 143 Cb 0.74 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.62 3kgc h THR 143 CO 0.06 0.32 0.27 0.50 0.37 0.00 0.00 175.52 177.03 3kgc h LYS 144 N 0.16 0.52 -0.17 6.66 3.64 -1.76 -2.27 116.57 123.34 3kgc h LYS 144 Ca 0.06 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 3kgc h LYS 144 Cb 0.50 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3kgc h LYS 144 CO 0.02 0.34 -0.19 0.93 -2.27 0.00 0.00 179.45 178.28 3kgc h GLU 145 N 0.53 0.30 -0.60 1.90 4.39 -1.17 -1.17 114.58 118.75 3kgc h GLU 145 Ca 0.19 -0.09 0.04 0.00 0.34 0.00 0.00 59.36 59.84 3kgc h GLU 145 Cb 0.04 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 3kgc h GLU 145 CO -0.10 0.48 0.35 0.35 -1.16 0.00 0.00 179.01 178.94 3kgc h PHE 146 N 0.27 0.66 -0.25 4.33 3.57 -0.36 -1.60 116.94 123.56 3kgc h PHE 146 Ca 0.05 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.39 3kgc h PHE 146 Cb 0.50 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 3kgc h PHE 146 CO 0.01 0.36 -0.57 0.74 -2.23 0.00 0.00 178.31 176.61 3kgc h PHE 147 N 0.69 0.99 -0.38 0.41 -1.00 -1.05 -2.14 116.94 114.45 3kgc h PHE 147 Ca 0.25 -0.36 -0.03 0.00 2.81 0.00 0.00 57.97 60.64 3kgc h PHE 147 Cb 0.07 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.43 3kgc h PHE 147 CO -0.07 1.17 0.11 -0.09 -1.61 0.00 0.00 178.31 177.82 3kgc h ARG 148 N 0.59 0.55 0.00 1.51 2.43 -0.94 -2.97 114.38 115.56 3kgc h ARG 148 Ca 0.01 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3kgc h ARG 148 Cb 1.17 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3kgc h ARG 148 CO 0.12 0.50 -0.74 0.00 -1.51 0.00 0.00 179.97 178.34 3kgc h ARG 149 N 0.54 0.00 -6.85 0.20 3.08 -1.24 -3.49 114.38 106.63 3kgc h ARG 149 Ca 0.13 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.65 3kgc h ARG 149 Cb 0.18 0.00 0.08 0.00 0.08 0.00 0.00 29.97 30.31 3kgc h ARG 149 CO -0.01 0.00 0.73 0.45 -1.07 0.00 0.00 179.97 180.08 3kgc s SER 150 N -5.28 6.59 0.00 7.04 0.15 -0.81 -4.90 113.70 116.48 3kgc s SER 150 Ca 0.02 2.80 0.23 0.00 0.70 0.00 0.00 55.95 59.71 3kgc s SER 150 Cb 0.09 -2.65 0.14 0.00 -1.71 0.00 0.00 66.02 61.90 3kgc s SER 150 CO 0.75 -0.71 1.21 2.29 1.20 0.00 0.00 173.24 177.98 3kgc n LYS 151 N 1.28 2.04 -2.75 5.44 0.00 -1.26 -4.55 118.16 118.37 3kgc n LYS 151 Ca 0.03 -1.70 -0.42 0.00 -0.00 0.00 0.00 58.31 56.22 3kgc n LYS 151 Cb 0.40 -1.46 -0.03 0.00 -0.00 0.00 0.00 35.03 33.94 3kgc n LYS 151 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3kgc s ILE 152 N -2.08 4.88 0.16 0.58 -1.09 -1.26 -4.95 121.20 117.45 3kgc s ILE 152 Ca 0.25 1.98 -0.19 0.00 -2.23 0.00 0.00 60.65 60.46 3kgc s ILE 152 Cb 0.19 -4.28 0.07 0.00 -1.58 0.00 0.00 42.46 36.86 3kgc s ILE 152 CO 0.36 0.15 1.65 0.00 -1.23 0.00 0.00 174.94 175.87 3kgc h ALA 153 N 6.84 0.11 -0.37 9.38 0.00 -1.99 0.11 119.26 133.35 3kgc h ALA 153 Ca -0.40 0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.67 3kgc h ALA 153 Cb 1.21 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 3kgc h ALA 153 CO 0.76 -0.54 0.16 0.28 0.00 0.00 0.00 179.25 179.91 3kgc h VAL 154 N -0.10 0.94 -0.09 0.00 2.07 -1.99 -1.04 116.25 116.03 3kgc h VAL 154 Ca 0.17 -0.11 -0.14 0.00 0.82 0.00 0.00 66.70 67.44 3kgc h VAL 154 Cb 0.36 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3kgc h VAL 154 CO -0.41 0.06 -0.57 -0.26 0.02 0.00 0.00 177.57 176.41 3kgc h PHE 155 N 0.33 0.35 -0.46 1.57 0.04 -1.79 -1.75 116.94 115.22 3kgc h PHE 155 Ca 0.16 -0.13 -0.12 0.00 2.80 0.00 0.00 57.97 60.68 3kgc h PHE 155 Cb 0.10 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 3kgc h PHE 155 CO -0.12 0.78 -0.19 0.22 -0.60 0.00 0.00 178.31 178.40 3kgc h ASP 156 N 0.21 0.93 -0.66 2.17 3.58 -0.57 0.41 116.42 122.48 3kgc h ASP 156 Ca -0.00 -0.33 -0.03 0.00 0.42 0.00 0.00 57.03 57.08 3kgc h ASP 156 Cb 1.07 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.83 3kgc h ASP 156 CO 0.09 1.09 0.28 0.50 -2.88 0.00 0.00 179.24 178.32 3kgc h LYS 157 N 0.80 0.98 -0.61 0.28 3.64 -0.98 -0.56 116.57 120.12 3kgc h LYS 157 Ca 0.11 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3kgc h LYS 157 Cb 0.74 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 3kgc h LYS 157 CO 0.06 0.81 0.37 0.52 -2.27 0.00 0.00 179.45 178.94 3kgc h MET 158 N 0.93 0.82 -0.20 1.90 2.86 -1.08 -1.02 114.93 119.14 3kgc h MET 158 Ca 0.22 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.80 3kgc h MET 158 Cb 0.18 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3kgc h MET 158 CO -0.02 0.58 0.11 2.35 1.06 0.00 0.00 176.91 180.99 3kgc h TRP 159 N 0.82 0.21 -0.73 -0.22 -0.00 -0.46 0.15 115.95 115.73 3kgc h TRP 159 Ca 0.22 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.12 3kgc h TRP 159 Cb -0.04 -0.07 -0.04 0.00 -0.00 0.00 0.00 29.16 29.02 3kgc h TRP 159 CO -0.02 0.13 0.47 1.15 -0.00 0.00 0.00 178.44 180.17 3kgc h THR 160 N 0.24 1.19 0.25 2.65 2.02 -0.92 0.30 112.91 118.64 3kgc h THR 160 Ca 0.08 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 3kgc h THR 160 Cb -0.00 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 3kgc h THR 160 CO -0.04 0.19 -0.12 0.22 0.37 0.00 0.00 175.52 176.14 3kgc h TYR 161 N 0.99 -0.31 -0.73 3.16 3.20 -0.94 -2.80 116.97 119.53 3kgc h TYR 161 Ca 0.26 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 3kgc h TYR 161 Cb -0.09 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 3kgc h TYR 161 CO -0.02 -0.17 0.31 0.52 -1.64 0.00 0.00 178.16 177.16 3kgc h MET 162 N -0.37 1.08 0.00 1.82 2.86 -0.30 0.12 114.93 120.14 3kgc h MET 162 Ca -0.03 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.35 3kgc h MET 162 Cb 0.28 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3kgc h MET 162 CO 0.06 0.87 -0.34 -0.09 1.06 0.00 0.00 176.91 178.47 3kgc h ARG 163 N 1.04 0.00 -0.00 1.72 2.43 -0.95 -3.16 114.38 115.45 3kgc h ARG 163 Ca 0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3kgc h ARG 163 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3kgc h ARG 163 CO -0.02 0.34 -0.63 -1.13 -1.51 0.00 0.00 179.97 177.02 3kgc n SER 164 N -4.05 1.03 -4.76 -3.80 3.41 -0.99 -4.99 113.62 99.48 3kgc n SER 164 Ca -0.02 -1.02 -0.41 0.00 -0.26 0.00 0.00 58.87 57.16 3kgc n SER 164 Cb 0.39 0.84 -0.02 0.00 -0.26 0.00 0.00 64.21 65.16 3kgc n SER 164 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kgc s ALA 165 N -2.34 3.61 -0.02 7.33 0.00 -0.01 -5.04 121.76 125.29 3kgc s ALA 165 Ca 0.08 1.39 0.04 0.00 0.00 0.00 0.00 51.96 53.47 3kgc s ALA 165 Cb 0.13 -3.56 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 3kgc s ALA 165 CO 0.58 -0.80 -0.13 -1.21 0.00 0.00 0.00 175.76 174.20 3kgc s GLU 166 N -0.98 1.15 0.94 0.00 2.02 -1.26 -3.82 118.70 116.76 3kgc s GLU 166 Ca 0.57 -0.44 -0.13 0.00 0.02 0.00 0.00 54.97 54.98 3kgc s GLU 166 Cb -0.43 -1.08 0.03 0.00 0.10 0.00 0.00 34.13 32.76 3kgc s GLU 166 CO 0.49 0.23 0.44 -2.30 0.02 0.00 0.00 175.26 174.14 3kgc n PRO 167 N 2.98 -0.26 -1.58 0.39 -0.02 -1.26 -5.03 135.00 130.22 3kgc n PRO 167 Ca -0.16 -0.03 -0.50 0.00 -2.02 0.00 0.00 63.50 60.79 3kgc n PRO 167 Cb 0.55 -1.87 -0.05 0.00 -0.02 0.00 0.00 33.50 32.10 3kgc n PRO 167 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3kgc n SER 168 N -1.35 1.41 -0.67 2.55 2.88 -1.25 -4.88 113.62 112.33 3kgc n SER 168 Ca 0.07 1.13 0.13 0.00 -1.33 0.00 0.00 58.87 58.87 3kgc n SER 168 Cb 0.53 -1.20 0.36 0.00 -0.75 0.00 0.00 64.21 63.16 3kgc n SER 168 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3kgc n VAL 169 N 1.90 0.02 -3.06 2.46 0.24 -1.26 -4.94 118.33 113.70 3kgc n VAL 169 Ca 0.17 -0.35 -0.28 0.00 -2.04 0.00 0.00 64.34 61.84 3kgc n VAL 169 Cb 0.22 0.85 -0.02 0.00 -1.47 0.00 0.00 33.84 33.42 3kgc n VAL 169 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3kgc s PHE 170 N -1.98 3.50 0.14 6.34 0.40 -1.26 -3.60 117.98 121.53 3kgc s PHE 170 Ca 0.34 0.72 0.06 0.00 -0.60 0.00 0.00 56.93 57.45 3kgc s PHE 170 Cb 0.21 -2.19 -0.04 0.00 0.51 0.00 0.00 43.02 41.50 3kgc s PHE 170 CO 0.32 -0.02 -0.12 0.14 0.70 0.00 0.00 175.22 176.24 3kgc s VAL 171 N -2.36 1.33 0.10 -0.44 -7.23 -0.56 -4.88 120.40 106.35 3kgc s VAL 171 Ca 0.46 -1.93 0.02 0.00 -1.81 0.00 0.00 61.98 58.72 3kgc s VAL 171 Cb -0.10 -1.73 -0.24 0.00 0.56 0.00 0.00 36.38 34.86 3kgc s VAL 171 CO 0.35 -0.58 1.20 0.08 -0.31 0.00 0.00 175.10 175.85 3kgc h ARG 172 N 3.08 0.12 -4.08 4.82 -0.00 -1.96 0.74 114.38 117.10 3kgc h ARG 172 Ca -0.38 -0.20 -0.11 0.00 -0.00 0.00 0.00 59.98 59.29 3kgc h ARG 172 Cb 1.20 0.08 -0.15 0.00 -0.00 0.00 0.00 29.97 31.10 3kgc h ARG 172 CO 0.57 1.09 -0.55 0.95 -0.00 0.00 0.00 179.97 182.03 3kgc s THR 173 N -2.68 0.18 0.31 0.08 -4.23 -1.26 -4.78 115.64 103.26 3kgc s THR 173 Ca -0.01 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 58.94 3kgc s THR 173 Cb 0.09 -1.48 0.19 0.00 1.34 0.00 0.00 72.50 72.64 3kgc s THR 173 CO 0.85 -0.84 1.90 0.74 -0.54 0.00 0.00 174.62 176.73 3kgc h THR 174 N 2.98 1.20 -0.64 3.99 2.02 -1.99 -0.71 112.91 119.76 3kgc h THR 174 Ca -0.34 -0.64 0.08 0.00 0.77 0.00 0.00 66.41 66.29 3kgc h THR 174 Cb 1.17 0.56 -0.07 0.00 -1.74 0.00 0.00 68.15 68.07 3kgc h THR 174 CO 0.62 0.25 0.30 0.00 0.37 0.00 0.00 175.52 177.05 3kgc h ALA 175 N 1.45 0.86 -0.34 6.16 0.00 -1.99 0.13 119.26 125.53 3kgc h ALA 175 Ca 0.19 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 3kgc h ALA 175 Cb 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kgc h ALA 175 CO -0.02 -0.09 -0.08 1.49 0.00 0.00 0.00 179.25 180.55 3kgc h GLU 176 N 0.53 0.65 -0.28 0.00 4.81 -1.84 -1.48 114.58 116.98 3kgc h GLU 176 Ca 0.31 -0.25 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3kgc h GLU 176 Cb 0.32 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 3kgc h GLU 176 CO -0.26 0.82 0.05 0.78 -0.73 0.00 0.00 179.01 179.67 3kgc h GLY 177 N 0.44 0.31 0.96 1.92 0.00 -0.48 0.59 103.07 106.81 3kgc h GLY 177 Ca 0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 3kgc h GLY 177 CO 0.03 -0.02 0.04 -2.08 0.00 0.00 0.00 176.54 174.52 3kgc h VAL 178 N 0.15 1.25 -0.84 4.60 2.07 -0.75 -0.88 116.25 121.85 3kgc h VAL 178 Ca 0.13 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 3kgc h VAL 178 Cb 0.14 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 3kgc h VAL 178 CO -0.18 0.33 0.48 0.00 0.02 0.00 0.00 177.57 178.22 3kgc h ALA 179 N 0.93 1.26 -0.46 1.67 0.00 -1.13 -0.72 119.26 120.81 3kgc h ALA 179 Ca 0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3kgc h ALA 179 Cb 0.43 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3kgc h ALA 179 CO 0.01 0.62 0.13 -0.09 0.00 0.00 0.00 179.25 179.91 3kgc h ARG 180 N 1.17 0.72 -0.39 0.00 2.43 -0.48 -0.15 114.38 117.69 3kgc h ARG 180 Ca 0.30 -0.17 0.04 0.00 -0.81 0.00 0.00 59.98 59.34 3kgc h ARG 180 Cb -0.00 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 3kgc h ARG 180 CO -0.05 0.71 0.15 0.28 -1.51 0.00 0.00 179.97 179.55 3kgc h VAL 181 N 0.61 0.91 0.00 0.20 2.07 -0.78 -2.41 116.25 116.85 3kgc h VAL 181 Ca 0.15 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 3kgc h VAL 181 Cb 0.30 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3kgc h VAL 181 CO -0.00 0.06 -0.41 0.03 0.02 0.00 0.00 177.57 177.27 3kgc h ARG 182 N 0.32 0.00 -0.01 1.57 3.08 -0.74 -3.14 114.38 115.46 3kgc h ARG 182 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3kgc h ARG 182 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3kgc h ARG 182 CO -0.16 0.41 -0.43 1.63 -1.07 0.00 0.00 179.97 180.35 3kgc n LYS 183 N -3.91 1.12 -0.44 0.04 5.02 -0.10 -4.47 118.16 115.41 3kgc n LYS 183 Ca -0.01 -0.88 0.10 0.00 -2.02 0.00 0.00 58.31 55.50 3kgc n LYS 183 Cb 0.46 -1.48 0.31 0.00 -0.02 0.00 0.00 35.03 34.30 3kgc n LYS 183 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3kgc n SER 184 N -0.18 3.98 -2.86 4.39 7.64 -0.92 -4.94 113.62 120.73 3kgc n SER 184 Ca 0.10 -2.18 -0.20 0.00 1.01 0.00 0.00 58.87 57.60 3kgc n SER 184 Cb 0.44 -0.50 0.01 0.00 -1.01 0.00 0.00 64.21 63.15 3kgc n SER 184 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3kgc n LYS 185 N 1.29 -3.40 -0.51 1.43 5.02 -1.26 -1.00 118.16 119.73 3kgc n LYS 185 Ca 0.23 0.77 0.00 0.00 -2.02 0.00 0.00 58.31 57.29 3kgc n LYS 185 Cb 0.69 -5.51 0.00 0.00 -0.02 0.00 0.00 35.03 30.18 3kgc n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kgc n GLY 186 N -1.20 0.75 1.33 0.72 0.00 -1.26 -4.95 105.19 100.58 3kgc n GLY 186 Ca -0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.01 3kgc n GLY 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kgc n LYS 187 N -2.20 2.67 -3.86 1.61 4.76 -0.17 -4.84 118.16 116.14 3kgc n LYS 187 Ca 0.00 -2.60 -0.16 0.00 -2.87 0.00 0.00 58.31 52.68 3kgc n LYS 187 Cb 0.00 -1.56 -0.16 0.00 -1.84 0.00 0.00 35.03 31.47 3kgc n LYS 187 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3kgc s TYR 188 N -1.05 0.19 0.05 2.13 5.04 -1.26 -0.97 117.35 121.49 3kgc s TYR 188 Ca 0.48 0.06 0.07 0.00 -2.44 0.00 0.00 57.07 55.24 3kgc s TYR 188 Cb 0.25 -0.34 -0.03 0.00 0.35 0.00 0.00 41.96 42.19 3kgc s TYR 188 CO 0.33 -0.11 -0.18 0.00 -1.34 0.00 0.00 175.55 174.25 3kgc s ALA 189 N 1.06 2.63 -0.11 3.97 0.00 0.14 -4.50 121.76 124.94 3kgc s ALA 189 Ca -0.09 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 50.69 3kgc s ALA 189 Cb -0.13 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.25 3kgc s ALA 189 CO -0.02 0.58 -0.22 -0.47 0.00 0.00 0.00 175.76 175.62 3kgc s TYR 190 N -0.96 2.48 -0.21 0.00 5.04 -0.43 -2.36 117.35 120.90 3kgc s TYR 190 Ca 0.15 -1.08 -0.14 0.00 -2.44 0.00 0.00 57.07 53.56 3kgc s TYR 190 Cb -0.11 -1.68 -0.04 0.00 0.35 0.00 0.00 41.96 40.49 3kgc s TYR 190 CO 0.06 -0.46 0.31 -0.51 -1.34 0.00 0.00 175.55 173.61 3kgc s LEU 191 N 0.52 4.15 0.23 6.97 1.43 0.08 -0.50 118.68 131.55 3kgc s LEU 191 Ca -0.15 0.38 -0.22 0.00 -1.03 0.00 0.00 54.13 53.11 3kgc s LEU 191 Cb -0.17 -2.37 0.04 0.00 0.03 0.00 0.00 46.19 43.72 3kgc s LEU 191 CO 0.05 -0.02 0.74 -1.48 0.23 0.00 0.00 176.35 175.87 3kgc s LEU 192 N 1.18 -0.32 0.27 1.79 2.34 -0.52 -4.49 118.68 118.93 3kgc s LEU 192 Ca 0.15 -0.43 -0.30 0.00 0.06 0.00 0.00 54.13 53.61 3kgc s LEU 192 Cb -0.14 2.59 -0.12 0.00 -0.56 0.00 0.00 46.19 47.96 3kgc s LEU 192 CO 0.06 -1.18 1.51 -0.62 -1.06 0.00 0.00 176.35 175.06 3kgc n GLU 193 N -0.44 2.40 -0.35 1.48 4.71 -1.26 -0.55 120.64 126.64 3kgc n GLU 193 Ca -0.07 0.85 0.13 0.00 -0.01 0.00 0.00 57.16 58.06 3kgc n GLU 193 Cb 0.61 -2.58 0.33 0.00 -1.01 0.00 0.00 31.44 28.79 3kgc n GLU 193 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3kgc h SER 194 N 4.46 0.78 -0.72 1.62 4.64 -0.64 -1.43 113.55 122.25 3kgc h SER 194 Ca -0.46 0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 60.93 3kgc h SER 194 Cb 1.25 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.26 3kgc h SER 194 CO 0.77 0.28 0.36 0.71 -0.87 0.00 0.00 176.83 178.08 3kgc h THR 195 N 0.76 1.23 -0.11 2.95 1.35 -1.87 0.97 112.91 118.19 3kgc h THR 195 Ca 0.57 -0.64 -0.21 0.00 -0.55 0.00 0.00 66.41 65.58 3kgc h THR 195 Cb 0.90 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 3kgc h THR 195 CO -0.36 0.27 -0.78 -0.03 -0.25 0.00 0.00 175.52 174.36 3kgc h MET 196 N 1.00 0.63 -0.31 4.72 -1.53 -1.75 -1.78 114.93 115.92 3kgc h MET 196 Ca 0.25 -0.53 0.05 0.00 -3.44 0.00 0.00 59.70 56.03 3kgc h MET 196 Cb 0.10 0.11 -0.04 0.00 -0.55 0.00 0.00 31.60 31.22 3kgc h MET 196 CO -0.03 1.15 0.03 -0.97 0.14 0.00 0.00 176.91 177.23 3kgc h ASN 197 N 0.43 -0.05 -0.73 1.39 -0.73 -0.92 -0.62 115.58 114.34 3kgc h ASN 197 Ca -0.05 0.06 -0.05 0.00 1.87 0.00 0.00 56.30 58.13 3kgc h ASN 197 Cb 1.39 0.09 -0.03 0.00 0.27 0.00 0.00 38.32 40.05 3kgc h ASN 197 CO 0.15 0.01 0.26 -0.33 -0.37 0.00 0.00 177.43 177.14 3kgc h GLU 198 N 0.13 1.12 -0.25 6.67 5.08 -0.77 -1.00 114.58 125.56 3kgc h GLU 198 Ca 0.15 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3kgc h GLU 198 Cb 0.18 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3kgc h GLU 198 CO -0.22 0.93 0.12 -0.92 -1.00 0.00 0.00 179.01 177.93 3kgc h TYR 199 N 1.08 0.35 -0.07 4.33 3.20 -0.86 -3.00 116.97 122.01 3kgc h TYR 199 Ca 0.24 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.01 3kgc h TYR 199 Cb 0.26 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3kgc h TYR 199 CO 0.02 0.33 -0.34 0.82 -1.64 0.00 0.00 178.16 177.35 3kgc h ILE 200 N 0.27 1.27 0.00 1.81 2.04 -0.81 -1.22 117.51 120.87 3kgc h ILE 200 Ca 0.09 -1.29 -0.00 0.00 1.00 0.00 0.00 64.86 64.65 3kgc h ILE 200 Cb 0.11 1.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3kgc h ILE 200 CO -0.01 0.38 -0.02 -0.08 0.00 0.00 0.00 178.15 178.42 3kgc h GLU 201 N 0.13 0.00 -0.67 2.37 4.81 -1.05 -0.70 114.58 119.46 3kgc h GLU 201 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3kgc h GLU 201 Cb 0.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.05 3kgc h GLU 201 CO 0.05 0.02 0.00 1.04 -0.73 0.00 0.00 179.01 179.39 3kgc n GLN 202 N -3.43 3.59 -4.31 1.92 1.13 -0.47 -4.75 117.38 111.06 3kgc n GLN 202 Ca -0.03 -2.83 -0.35 0.00 -1.94 0.00 0.00 57.00 51.85 3kgc n GLN 202 Cb 0.12 -1.86 -0.10 0.00 0.11 0.00 0.00 30.24 28.51 3kgc n GLN 202 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3kgc s ARG 203 N -1.73 3.25 0.48 -1.09 1.81 -0.27 -0.28 118.95 121.12 3kgc s ARG 203 Ca 0.51 -0.41 -0.23 0.00 -1.72 0.00 0.00 55.73 53.88 3kgc s ARG 203 Cb 0.32 -2.88 -0.08 0.00 -0.45 0.00 0.00 34.95 31.85 3kgc s ARG 203 CO 0.26 0.57 1.16 1.63 -0.68 0.00 0.00 175.30 178.24 3kgc n LYS 204 N 2.56 1.53 -0.27 3.54 4.01 -1.26 -0.86 118.16 127.41 3kgc n LYS 204 Ca -0.18 0.56 -0.01 0.00 -0.51 0.00 0.00 58.31 58.17 3kgc n LYS 204 Cb 0.53 -2.28 0.09 0.00 -0.51 0.00 0.00 35.03 32.86 3kgc n LYS 204 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 3kgc n PRO 205 N -0.32 1.81 -3.69 1.97 -0.04 -1.26 -4.97 135.00 128.49 3kgc n PRO 205 Ca 0.09 -0.83 -0.26 0.00 -0.04 0.00 0.00 63.50 62.47 3kgc n PRO 205 Cb 0.42 -1.57 0.06 0.00 -0.04 0.00 0.00 33.50 32.37 3kgc n PRO 205 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kgc n ASP 207 N -2.96 2.65 -4.64 0.00 5.75 -1.26 -4.99 116.55 111.10 3kgc n ASP 207 Ca 0.02 -2.02 -0.23 0.00 -0.01 0.00 0.00 54.79 52.55 3kgc n ASP 207 Cb 0.55 -0.17 -0.07 0.00 -1.03 0.00 0.00 41.12 40.40 3kgc n ASP 207 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3kgc s THR 208 N -1.03 3.29 -0.14 2.12 -4.23 -1.26 -0.76 115.64 113.62 3kgc s THR 208 Ca 0.16 -1.93 -0.11 0.00 -1.18 0.00 0.00 61.69 58.64 3kgc s THR 208 Cb 0.09 -2.82 0.04 0.00 1.34 0.00 0.00 72.50 71.15 3kgc s THR 208 CO 0.11 -0.35 0.35 -0.32 -0.54 0.00 0.00 174.62 173.88 3kgc s MET 209 N -3.68 0.39 -0.01 3.99 1.75 -0.30 -4.73 119.30 116.70 3kgc s MET 209 Ca 0.32 0.55 -0.26 0.00 -1.25 0.00 0.00 55.69 55.06 3kgc s MET 209 Cb -0.05 0.12 -0.04 0.00 2.84 0.00 0.00 34.83 37.70 3kgc s MET 209 CO 0.20 -0.08 0.80 0.21 -0.65 0.00 0.00 175.02 175.50 3kgc s LYS 210 N 0.54 4.50 0.04 4.11 2.20 -1.26 -1.40 119.74 128.46 3kgc s LYS 210 Ca -0.03 1.09 0.04 0.00 -0.36 0.00 0.00 55.97 56.71 3kgc s LYS 210 Cb -0.04 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.83 3kgc s LYS 210 CO -0.03 0.10 -0.11 0.14 -0.36 0.00 0.00 175.35 175.09 3kgc s VAL 211 N 0.57 0.84 0.00 4.02 -7.23 -0.74 -5.00 120.40 112.87 3kgc s VAL 211 Ca 0.42 -0.97 0.00 0.00 -1.81 0.00 0.00 61.98 59.61 3kgc s VAL 211 Cb -0.20 -0.81 0.00 0.00 0.56 0.00 0.00 36.38 35.94 3kgc s VAL 211 CO 0.22 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.49 3kgc n GLY 212 N 1.80 -1.54 3.83 2.32 0.00 -1.07 -3.85 105.19 106.68 3kgc n GLY 212 Ca -0.19 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 3kgc n GLY 212 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kgc s GLY 213 N -4.09 1.65 0.57 -0.02 0.00 -1.26 -4.89 107.32 99.28 3kgc s GLY 213 Ca 0.00 -0.09 -0.19 0.00 0.00 0.00 0.00 44.72 44.43 3kgc s GLY 213 CO 0.00 0.25 1.18 -1.31 0.00 0.00 0.00 173.10 173.23 3kgc s ASN 214 N -3.97 5.38 0.18 1.64 0.01 -1.26 -4.86 114.94 112.07 3kgc s ASN 214 Ca 0.58 2.32 0.23 0.00 -0.71 0.00 0.00 52.86 55.28 3kgc s ASN 214 Cb -0.13 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.94 3kgc s ASN 214 CO 0.54 -1.46 1.03 0.18 -1.51 0.00 0.00 177.10 175.88 3kgc n LEU 215 N -1.46 0.80 0.00 0.60 4.77 0.15 -4.92 117.00 116.93 3kgc n LEU 215 Ca 0.13 0.30 -0.15 0.00 -0.03 0.00 0.00 56.01 56.26 3kgc n LEU 215 Cb 0.50 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 3kgc n LEU 215 CO 0.44 -0.17 0.14 -0.90 -1.33 0.00 0.00 177.39 175.57 3kgc n ASP 216 N -2.61 -1.26 -3.81 -1.43 5.75 -1.26 -4.92 116.55 107.00 3kgc n ASP 216 Ca 0.00 -2.88 -0.19 0.00 -0.01 0.00 0.00 54.79 51.71 3kgc n ASP 216 Cb 0.54 2.39 -0.17 0.00 -1.03 0.00 0.00 41.12 42.86 3kgc n ASP 216 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3kgc s SER 217 N -3.13 0.89 0.32 -1.12 0.01 -1.26 -4.12 113.70 105.28 3kgc s SER 217 Ca 0.29 -0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.51 3kgc s SER 217 Cb -0.01 -0.32 -0.02 0.00 0.21 0.00 0.00 66.02 65.89 3kgc s SER 217 CO 0.21 -0.13 0.36 -0.54 0.41 0.00 0.00 173.24 173.56 3kgc s LYS 218 N 1.33 1.77 0.02 12.44 1.02 -0.12 -5.01 119.74 131.20 3kgc s LYS 218 Ca -0.05 -1.83 -0.01 0.00 0.02 0.00 0.00 55.97 54.10 3kgc s LYS 218 Cb -0.13 0.38 -0.02 0.00 -0.52 0.00 0.00 37.83 37.54 3kgc s LYS 218 CO -0.02 -0.69 -0.01 0.20 -0.92 0.00 0.00 175.35 173.91 3kgc s GLY 219 N -3.27 0.26 -0.04 -3.33 0.00 -1.26 -1.82 107.32 97.86 3kgc s GLY 219 Ca 0.35 -0.65 -0.12 0.00 0.00 0.00 0.00 44.72 44.30 3kgc s GLY 219 CO 0.22 -0.73 0.33 -0.19 0.00 0.00 0.00 173.10 172.73 3kgc s TYR 220 N -1.88 3.69 0.17 1.90 2.02 -0.60 -0.92 117.35 121.74 3kgc s TYR 220 Ca -0.12 0.85 0.03 0.00 -0.37 0.00 0.00 57.07 57.46 3kgc s TYR 220 Cb -0.07 -2.19 -0.05 0.00 -0.40 0.00 0.00 41.96 39.26 3kgc s TYR 220 CO -0.02 0.67 -0.03 0.20 -1.57 0.00 0.00 175.55 174.80 3kgc s GLY 221 N -1.05 1.18 -0.02 0.71 0.00 -0.36 -0.58 107.32 107.20 3kgc s GLY 221 Ca 0.21 -1.57 -0.22 0.00 0.00 0.00 0.00 44.72 43.14 3kgc s GLY 221 CO 0.11 -1.55 0.66 -0.42 0.00 0.00 0.00 173.10 171.90 3kgc s ILE 222 N -3.55 4.93 0.05 0.90 1.01 -1.26 -4.30 121.20 118.98 3kgc s ILE 222 Ca 0.22 1.38 0.07 0.00 0.00 0.00 0.00 60.65 62.32 3kgc s ILE 222 Cb 0.05 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 3kgc s ILE 222 CO 0.03 0.34 -0.17 0.00 0.00 0.00 0.00 174.94 175.14 3kgc s ALA 223 N 0.23 2.64 0.09 9.38 0.00 -0.87 -0.39 121.76 132.83 3kgc s ALA 223 Ca 0.35 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 51.11 3kgc s ALA 223 Cb -0.18 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 3kgc s ALA 223 CO 0.18 0.58 -0.06 0.95 0.00 0.00 0.00 175.76 177.41 3kgc s THR 224 N -0.97 0.66 0.54 0.00 -4.23 -0.18 -0.64 115.64 110.82 3kgc s THR 224 Ca 0.15 -1.88 -0.22 0.00 -1.18 0.00 0.00 61.69 58.56 3kgc s THR 224 Cb -0.11 -1.61 -0.05 0.00 1.34 0.00 0.00 72.50 72.07 3kgc s THR 224 CO 0.06 -0.85 1.38 -2.65 -0.54 0.00 0.00 174.62 172.02 3kgc n PRO 225 N 0.05 1.75 -1.71 3.99 -0.02 -1.26 -0.91 135.00 136.89 3kgc n PRO 225 Ca -0.13 0.64 -0.43 0.00 -2.02 0.00 0.00 63.50 61.57 3kgc n PRO 225 Cb 0.60 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 3kgc n PRO 225 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3kgc n LYS 226 N -0.98 2.68 -0.97 -0.52 4.81 -1.26 -0.98 118.16 120.94 3kgc n LYS 226 Ca 0.10 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.50 3kgc n LYS 226 Cb 0.44 -2.79 0.00 0.00 0.02 0.00 0.00 35.03 32.70 3kgc n LYS 226 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kgc n GLY 227 N 3.67 0.52 3.76 3.14 0.00 -1.26 -4.98 105.19 110.04 3kgc n GLY 227 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3kgc n GLY 227 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kgc s SER 228 N -2.23 6.71 0.00 1.61 0.15 -0.15 -4.91 113.70 114.88 3kgc s SER 228 Ca 0.00 2.70 0.18 0.00 0.70 0.00 0.00 55.95 59.52 3kgc s SER 228 Cb 0.00 -2.64 0.87 0.00 -1.71 0.00 0.00 66.02 62.54 3kgc s SER 228 CO 0.00 -0.61 1.53 -0.24 1.20 0.00 0.00 173.24 175.11 3kgc n SER 229 N 1.33 0.00 0.16 5.45 2.88 -1.26 -2.28 113.62 119.90 3kgc n SER 229 Ca 0.02 0.07 0.05 0.00 -1.33 0.00 0.00 58.87 57.69 3kgc n SER 229 Cb 0.41 -0.30 0.07 0.00 -0.75 0.00 0.00 64.21 63.64 3kgc n SER 229 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3kgc h LEU 230 N 0.00 0.00 -0.81 2.46 6.46 -1.95 -3.38 115.31 118.09 3kgc h LEU 230 Ca 0.00 0.00 0.08 0.00 -0.12 0.00 0.00 57.88 57.84 3kgc h LEU 230 Cb 0.18 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.04 3kgc h LEU 230 CO 0.00 0.35 0.47 1.23 -0.62 0.00 0.00 178.44 179.87 3kgc h GLY 231 N 3.63 1.24 0.71 3.75 0.00 -1.83 -2.03 103.07 108.55 3kgc h GLY 231 Ca -0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 3kgc h GLY 231 CO 0.05 0.17 0.00 -0.57 0.00 0.00 0.00 176.54 176.19 3kgc h ASN 232 N 0.83 0.03 -0.88 0.19 -0.73 -1.79 -1.53 115.58 111.69 3kgc h ASN 232 Ca 0.37 -0.30 -0.01 0.00 1.87 0.00 0.00 56.30 58.24 3kgc h ASN 232 Cb 0.28 -0.01 -0.04 0.00 0.27 0.00 0.00 38.32 38.82 3kgc h ASN 232 CO -0.21 0.32 0.53 0.00 -0.37 0.00 0.00 177.43 177.69 3kgc h ALA 233 N 0.71 1.12 -0.25 1.57 0.00 -1.77 -1.23 119.26 119.41 3kgc h ALA 233 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3kgc h ALA 233 Cb 0.30 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3kgc h ALA 233 CO 0.00 0.59 0.12 0.28 0.00 0.00 0.00 179.25 180.24 3kgc h VAL 234 N 1.21 1.14 -0.38 0.00 2.07 -1.26 0.09 116.25 119.12 3kgc h VAL 234 Ca 0.32 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.49 3kgc h VAL 234 Cb -0.04 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 3kgc h VAL 234 CO -0.06 0.14 0.15 -1.13 0.02 0.00 0.00 177.57 176.69 3kgc h ASN 235 N 0.27 0.19 -0.38 0.57 -1.24 -0.96 -0.78 115.58 113.26 3kgc h ASN 235 Ca 0.09 0.04 -0.04 0.00 0.71 0.00 0.00 56.30 57.09 3kgc h ASN 235 Cb 0.10 0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.14 3kgc h ASN 235 CO -0.01 0.14 0.10 -0.07 -1.29 0.00 0.00 177.43 176.30 3kgc h LEU 236 N 0.32 0.62 -0.51 0.34 3.38 -0.96 -1.47 115.31 117.04 3kgc h LEU 236 Ca 0.17 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3kgc h LEU 236 Cb 0.13 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3kgc h LEU 236 CO -0.16 0.63 0.16 0.00 0.09 0.00 0.00 178.44 179.16 3kgc h ALA 237 N 1.46 0.67 -0.62 1.53 0.00 -0.51 -1.21 119.26 120.57 3kgc h ALA 237 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kgc h ALA 237 Cb 0.26 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3kgc h ALA 237 CO -0.00 0.33 0.40 0.28 0.00 0.00 0.00 179.25 180.25 3kgc h VAL 238 N 0.69 1.17 -0.50 0.00 2.07 -0.66 -0.01 116.25 119.02 3kgc h VAL 238 Ca 0.16 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3kgc h VAL 238 Cb 0.28 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3kgc h VAL 238 CO -0.00 0.17 0.28 -0.07 0.02 0.00 0.00 177.57 177.96 3kgc h LEU 239 N 0.84 0.61 0.07 2.57 3.38 -1.02 -0.05 115.31 121.70 3kgc h LEU 239 Ca 0.23 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3kgc h LEU 239 Cb -0.07 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3kgc h LEU 239 CO -0.05 0.51 -0.03 0.50 0.09 0.00 0.00 178.44 179.46 3kgc h LYS 240 N 0.66 -0.08 -0.81 1.13 3.64 -0.93 -0.73 116.57 119.44 3kgc h LYS 240 Ca 0.18 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.61 3kgc h LYS 240 Cb 0.03 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 3kgc h LYS 240 CO -0.03 -0.02 0.53 -0.07 -2.27 0.00 0.00 179.45 177.59 3kgc h LEU 241 N -0.13 0.83 0.13 5.20 3.38 -0.75 0.16 115.31 124.13 3kgc h LEU 241 Ca -0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3kgc h LEU 241 Cb 0.10 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3kgc h LEU 241 CO 0.01 0.55 -0.06 -1.28 0.09 0.00 0.00 178.44 177.75 3kgc h SER 242 N 0.95 -0.15 0.51 -0.43 0.87 -0.75 -1.44 113.55 113.11 3kgc h SER 242 Ca 0.34 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.71 3kgc h SER 242 Cb 0.13 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 3kgc h SER 242 CO -0.11 0.03 -0.32 -0.33 -0.53 0.00 0.00 176.83 175.57 3kgc h GLU 243 N -0.32 0.00 -0.00 2.24 5.08 -0.45 -2.07 114.58 119.05 3kgc h GLU 243 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3kgc h GLU 243 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3kgc h GLU 243 CO 0.03 0.32 -0.10 1.04 -1.00 0.00 0.00 179.01 179.30 3kgc n GLN 244 N -3.83 0.28 -0.67 2.33 6.02 -0.02 -4.90 117.38 116.58 3kgc n GLN 244 Ca -0.01 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 3kgc n GLN 244 Cb 0.40 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.16 3kgc n GLN 244 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kgc n GLY 245 N 1.39 0.73 0.27 1.08 0.00 -0.78 -4.95 105.19 102.93 3kgc n GLY 245 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 3kgc n GLY 245 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kgc h LEU 246 N 0.00 0.91 -0.91 0.99 7.12 -1.48 -1.62 115.31 120.32 3kgc h LEU 246 Ca 0.00 -0.34 -0.04 0.00 0.13 0.00 0.00 57.88 57.63 3kgc h LEU 246 Cb 0.00 -0.25 -0.04 0.00 -0.53 0.00 0.00 40.66 39.84 3kgc h LEU 246 CO 0.00 1.10 0.34 -0.07 -0.13 0.00 0.00 178.44 179.68 3kgc h LEU 247 N 0.77 1.03 -0.54 2.25 3.38 -1.82 -0.53 115.31 119.85 3kgc h LEU 247 Ca 0.10 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3kgc h LEU 247 Cb 0.77 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3kgc h LEU 247 CO 0.06 0.89 0.15 0.44 0.09 0.00 0.00 178.44 180.08 3kgc h ASP 248 N 1.11 0.81 -0.81 -0.43 3.32 -1.82 -1.59 116.42 117.01 3kgc h ASP 248 Ca 0.26 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 57.10 3kgc h ASP 248 Cb 0.16 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 3kgc h ASP 248 CO -0.03 0.82 0.54 0.11 -1.72 0.00 0.00 179.24 178.96 3kgc h LYS 249 N 0.76 1.06 -0.45 3.56 6.56 -0.86 -1.37 116.57 125.84 3kgc h LYS 249 Ca 0.17 -0.06 -0.13 0.00 -1.06 0.00 0.00 60.65 59.57 3kgc h LYS 249 Cb 0.31 -0.24 -0.01 0.00 -0.57 0.00 0.00 32.23 31.72 3kgc h LYS 249 CO -0.00 0.70 -0.22 -0.07 -2.06 0.00 0.00 179.45 177.80 3kgc h LEU 250 N 1.09 0.93 -0.19 2.94 4.07 -0.81 0.37 115.31 123.71 3kgc h LEU 250 Ca 0.30 -0.35 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 3kgc h LEU 250 Cb -0.12 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.36 3kgc h LEU 250 CO -0.07 1.11 0.06 0.50 -1.08 0.00 0.00 178.44 178.97 3kgc h LYS 251 N 0.79 0.30 -0.82 1.13 1.63 -1.06 -2.13 116.57 116.40 3kgc h LYS 251 Ca 0.10 -0.06 0.03 0.00 -0.85 0.00 0.00 60.65 59.87 3kgc h LYS 251 Cb 0.77 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 32.31 3kgc h LYS 251 CO 0.06 0.39 0.53 -0.97 -3.45 0.00 0.00 179.45 176.01 3kgc h ASN 252 N 0.14 0.88 0.02 4.20 -1.24 -1.05 -0.96 115.58 117.57 3kgc h ASN 252 Ca 0.06 -0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.08 3kgc h ASN 252 Cb 0.22 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.05 3kgc h ASN 252 CO -0.00 0.61 -0.08 0.50 -1.29 0.00 0.00 177.43 177.17 3kgc h LYS 253 N 1.03 -0.14 0.00 6.67 3.64 -0.69 0.53 116.57 127.62 3kgc h LYS 253 Ca 0.32 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.63 3kgc h LYS 253 Cb -0.01 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3kgc h LYS 253 CO -0.11 -0.09 -0.85 -1.49 -2.27 0.00 0.00 179.45 174.64 3kgc h TRP 254 N -0.14 0.00 0.05 1.91 4.06 -1.20 -2.38 115.95 118.25 3kgc h TRP 254 Ca 0.03 0.00 -0.37 0.00 2.06 0.00 0.00 58.89 60.60 3kgc h TRP 254 Cb 0.17 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.28 3kgc h TRP 254 CO -0.14 0.30 -2.16 0.91 -3.56 0.00 0.00 178.44 173.79 3kgc n TRP 255 N -2.94 0.60 -0.06 0.49 8.01 -0.38 -4.60 117.44 118.56 3kgc n TRP 255 Ca -0.02 0.16 -0.12 0.00 -1.31 0.00 0.00 57.50 56.21 3kgc n TRP 255 Cb 0.68 -1.07 -0.05 0.00 -2.01 0.00 0.00 31.31 28.86 3kgc n TRP 255 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3kgc n TYR 256 N -3.62 0.00 -0.08 -5.99 4.01 -0.05 -3.36 117.16 108.07 3kgc n TYR 256 Ca -0.40 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.35 3kgc n TYR 256 Cb 0.96 -0.44 0.32 0.00 -0.31 0.00 0.00 39.34 39.87 3kgc n TYR 256 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3kgc h ASP 257 N -0.32 0.62 -0.71 7.72 3.32 -1.00 -2.03 116.42 124.02 3kgc h ASP 257 Ca -0.30 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3kgc h ASP 257 Cb 1.31 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3kgc h ASP 257 CO -0.15 0.52 0.00 0.29 -1.72 0.00 0.00 179.24 178.18 3kgc n LYS 258 N -4.39 3.17 -1.48 3.56 5.02 -0.90 -4.97 118.16 118.18 3kgc n LYS 258 Ca 0.04 -2.78 -0.31 0.00 -2.02 0.00 0.00 58.31 53.24 3kgc n LYS 258 Cb 0.11 -1.72 0.07 0.00 -0.02 0.00 0.00 35.03 33.47 3kgc n LYS 258 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3kgc s GLY 259 N -0.96 1.67 0.00 0.72 0.00 -0.77 -4.96 107.32 103.02 3kgc s GLY 259 Ca 0.51 0.11 0.05 0.00 0.00 0.00 0.00 44.72 45.39 3kgc s GLY 259 CO 0.30 0.44 0.79 1.18 0.00 0.00 0.00 173.10 175.82 3kgc n GLU 260 N -3.27 0.60 -0.00 2.90 1.02 0.62 -4.72 120.64 117.79 3kgc n GLU 260 Ca 0.08 -1.08 0.00 0.00 -0.02 0.00 0.00 57.16 56.14 3kgc n GLU 260 Cb 0.54 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 3kgc n GLU 260 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31