#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfg s TYR 4 N 0.00 1.40 -0.85 -1.42 1.51 -1.26 -5.08 117.35 111.66 1kfg s TYR 4 Ca 0.00 -0.69 -0.23 0.00 -1.01 0.00 0.00 57.07 55.13 1kfg s TYR 4 Cb 0.00 -0.69 0.06 0.00 -0.11 0.00 0.00 41.96 41.22 1kfg s TYR 4 CO 0.00 0.17 1.25 1.21 -1.11 0.00 0.00 175.55 177.07 1kfg s ASN 5 N -3.17 6.35 0.35 2.29 3.84 -1.26 -4.75 114.94 118.59 1kfg s ASN 5 Ca 0.18 -1.15 0.15 0.00 0.21 0.00 0.00 52.86 52.24 1kfg s ASN 5 Cb 0.01 -2.51 0.63 0.00 -0.55 0.00 0.00 41.25 38.83 1kfg s ASN 5 CO 0.03 -1.52 1.74 1.88 -2.79 0.00 0.00 177.10 176.43 1kfg h TYR 6 N 9.67 0.00 -0.32 0.43 0.05 -1.70 -2.72 116.97 122.38 1kfg h TYR 6 Ca -0.05 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.67 1kfg h TYR 6 Cb 1.04 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.77 1kfg h TYR 6 CO 1.15 0.44 -0.05 0.78 -1.05 0.00 0.00 178.16 179.44 1kfg h GLY 7 N 1.63 0.65 1.04 3.88 0.00 -1.34 0.11 103.07 109.04 1kfg h GLY 7 Ca -0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 1kfg h GLY 7 CO 0.06 0.47 0.08 -2.09 0.00 0.00 0.00 176.54 175.06 1kfg h GLU 8 N 0.39 1.01 -0.27 4.80 4.81 -1.68 -0.07 114.58 123.56 1kfg h GLU 8 Ca 0.09 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1kfg h GLU 8 Cb 0.52 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1kfg h GLU 8 CO 0.03 0.96 0.17 0.00 -0.73 0.00 0.00 179.01 179.43 1kfg h ALA 9 N 1.01 0.35 -0.37 2.92 0.00 -1.33 -0.75 119.26 121.09 1kfg h ALA 9 Ca 0.18 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1kfg h ALA 9 Cb 0.44 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1kfg h ALA 9 CO 0.01 -0.16 0.23 1.25 0.00 0.00 0.00 179.25 180.59 1kfg h LEU 10 N 0.35 0.39 -0.19 0.00 5.85 -0.68 0.13 115.31 121.15 1kfg h LEU 10 Ca 0.10 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1kfg h LEU 10 Cb 0.00 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1kfg h LEU 10 CO -0.02 0.28 -0.01 -0.61 -0.34 0.00 0.00 178.44 177.74 1kfg h GLN 11 N 0.47 0.04 -0.20 1.25 4.15 -0.70 -2.29 115.11 117.83 1kfg h GLN 11 Ca 0.14 -0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.43 1kfg h GLN 11 Cb -0.02 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1kfg h GLN 11 CO -0.05 0.03 -0.41 0.87 -1.93 0.00 0.00 178.83 177.33 1kfg h LYS 12 N 0.04 0.46 -0.83 1.69 1.57 -0.88 -2.15 116.57 116.47 1kfg h LYS 12 Ca 0.09 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1kfg h LYS 12 Cb 0.12 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1kfg h LYS 12 CO -0.17 0.79 0.46 1.03 -0.57 0.00 0.00 179.45 180.99 1kfg h SER 13 N 0.38 1.04 -0.26 0.86 0.87 -0.71 -0.36 113.55 115.36 1kfg h SER 13 Ca 0.03 -0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.43 1kfg h SER 13 Cb 0.89 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 1kfg h SER 13 CO 0.07 0.83 -0.13 0.40 -0.53 0.00 0.00 176.83 177.48 1kfg h ILE 14 N 1.16 1.30 -0.24 2.23 2.04 -1.28 -3.00 117.51 119.73 1kfg h ILE 14 Ca 0.29 -1.22 0.04 0.00 1.00 0.00 0.00 64.86 64.97 1kfg h ILE 14 Cb 0.03 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1kfg h ILE 14 CO -0.05 0.38 0.16 -0.03 0.00 0.00 0.00 178.15 178.62 1kfg h MET 15 N 0.27 0.15 -0.75 2.37 4.05 -0.74 -2.52 114.93 117.76 1kfg h MET 15 Ca 0.06 -0.01 0.17 0.00 -0.28 0.00 0.00 59.70 59.64 1kfg h MET 15 Cb 0.64 -0.03 -0.12 0.00 -0.80 0.00 0.00 31.60 31.29 1kfg h MET 15 CO 0.04 0.10 0.07 0.35 0.23 0.00 0.00 176.91 177.70 1kfg h PHE 16 N 0.15 0.08 -0.19 1.39 3.57 -0.93 0.27 116.94 121.28 1kfg h PHE 16 Ca 0.10 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 1kfg h PHE 16 Cb 0.22 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1kfg h PHE 16 CO -0.00 -0.19 0.02 1.88 -2.23 0.00 0.00 178.31 177.79 1kfg h TYR 17 N 0.16 0.26 -0.38 0.41 0.05 -1.59 -1.86 116.97 114.02 1kfg h TYR 17 Ca 0.42 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.17 1kfg h TYR 17 Cb 0.74 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.38 1kfg h TYR 17 CO -0.36 0.26 0.18 0.93 -1.05 0.00 0.00 178.16 178.12 1kfg h GLU 18 N 0.26 0.53 0.00 4.88 5.08 -1.05 -0.72 114.58 123.56 1kfg h GLU 18 Ca 0.06 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1kfg h GLU 18 Cb 0.15 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1kfg h GLU 18 CO 0.00 0.42 0.00 0.74 -1.00 0.00 0.00 179.01 179.17 1kfg h PHE 19 N 0.53 0.00 0.00 4.33 0.05 -1.27 -2.99 116.94 117.60 1kfg h PHE 19 Ca 0.14 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.93 1kfg h PHE 19 Cb 0.07 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.02 1kfg h PHE 19 CO 0.00 0.00 -0.56 1.04 -0.18 0.00 0.00 178.31 178.61 1kfg n GLN 20 N -2.42 0.04 -1.70 1.51 1.13 -0.30 -4.97 117.38 110.66 1kfg n GLN 20 Ca 0.04 0.01 -0.44 0.00 -1.94 0.00 0.00 57.00 54.67 1kfg n GLN 20 Cb 0.35 -1.52 -0.03 0.00 0.11 0.00 0.00 30.24 29.15 1kfg n GLN 20 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1kfg n ARG 21 N -1.58 2.39 -4.21 -1.09 1.74 -1.04 -0.15 116.66 112.73 1kfg n ARG 21 Ca 0.05 0.85 -0.23 0.00 -0.77 0.00 0.00 57.85 57.75 1kfg n ARG 21 Cb 0.35 -2.60 -0.06 0.00 -1.02 0.00 0.00 32.46 29.13 1kfg n ARG 21 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1kfg s SER 22 N 0.58 4.96 0.00 0.55 0.15 -0.16 -4.82 113.70 114.96 1kfg s SER 22 Ca 0.69 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.90 1kfg s SER 22 Cb -0.58 -1.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.64 1kfg s SER 22 CO 0.45 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.51 1kfg n GLY 23 N -0.80 -1.85 3.55 9.45 0.00 0.95 -3.58 105.19 112.91 1kfg n GLY 23 Ca -0.08 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 1kfg n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1kfg s ASP 24 N -4.00 6.18 0.29 1.61 3.68 -1.26 -2.71 116.67 120.47 1kfg s ASP 24 Ca 0.00 -0.36 -0.29 0.00 2.13 0.00 0.00 52.55 54.03 1kfg s ASP 24 Cb 0.00 -2.56 -0.10 0.00 -1.45 0.00 0.00 42.92 38.81 1kfg s ASP 24 CO 0.00 -1.80 1.15 -0.76 0.13 0.00 0.00 175.17 173.88 1kfg s LEU 25 N 5.71 4.52 0.65 -1.34 1.43 -1.26 -5.01 118.68 123.37 1kfg s LEU 25 Ca 0.37 2.37 -0.17 0.00 -1.03 0.00 0.00 54.13 55.66 1kfg s LEU 25 Cb -0.08 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 1kfg s LEU 25 CO 0.16 -0.24 1.23 -2.16 0.23 0.00 0.00 176.35 175.57 1kfg s PRO 26 N -1.55 2.61 0.50 1.29 0.04 -1.26 -4.92 135.00 131.72 1kfg s PRO 26 Ca 0.46 1.87 0.28 0.00 0.04 0.00 0.00 61.00 63.65 1kfg s PRO 26 Cb -0.34 -1.88 1.28 0.00 0.04 0.00 0.00 34.50 33.61 1kfg s PRO 26 CO 0.44 -1.50 1.97 0.00 0.04 0.00 0.00 177.00 177.95 1kfg h ALA 27 N 0.44 1.10 -0.06 8.56 0.00 -2.05 -2.30 119.26 124.95 1kfg h ALA 27 Ca -0.50 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1kfg h ALA 27 Cb 1.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1kfg h ALA 27 CO 0.53 0.17 0.00 -0.40 0.00 0.00 0.00 179.25 179.55 1kfg n ASP 28 N -3.40 0.67 -4.67 0.00 5.68 -1.26 -4.91 116.55 108.65 1kfg n ASP 28 Ca -0.01 -2.02 -0.46 0.00 -0.50 0.00 0.00 54.79 51.80 1kfg n ASP 28 Cb 0.32 -0.18 -0.04 0.00 -1.14 0.00 0.00 41.12 40.08 1kfg n ASP 28 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1kfg n LYS 29 N -0.20 2.13 -1.35 0.11 4.81 -0.87 -4.92 118.16 117.87 1kfg n LYS 29 Ca 0.02 0.77 -0.30 0.00 -0.87 0.00 0.00 58.31 57.93 1kfg n LYS 29 Cb 0.14 -2.51 0.10 0.00 0.02 0.00 0.00 35.03 32.78 1kfg n LYS 29 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1kfg n ARG 30 N 3.02 2.64 -3.90 1.64 1.85 -1.26 -4.93 116.66 115.73 1kfg n ARG 30 Ca 0.15 -3.31 -0.09 0.00 -1.00 0.00 0.00 57.85 53.60 1kfg n ARG 30 Cb 0.30 -2.24 -0.07 0.00 -1.05 0.00 0.00 32.46 29.39 1kfg n ARG 30 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 1kfg s ASP 31 N -1.93 0.10 -0.12 2.89 1.47 -1.26 0.33 116.67 118.15 1kfg s ASP 31 Ca 0.61 -0.73 0.16 0.00 1.18 0.00 0.00 52.55 53.77 1kfg s ASP 31 Cb 0.49 0.37 0.27 0.00 -0.34 0.00 0.00 42.92 43.70 1kfg s ASP 31 CO 0.02 -0.78 1.14 -0.46 0.68 0.00 0.00 175.17 175.77 1kfg n ASN 32 N -0.11 1.98 0.00 2.11 6.94 -1.20 -4.72 115.26 120.26 1kfg n ASN 32 Ca -0.13 -3.00 0.00 0.00 -0.02 0.00 0.00 54.58 51.43 1kfg n ASN 32 Cb 0.63 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.64 1kfg n ASN 32 CO 0.00 0.00 0.00 -2.67 -1.03 0.00 0.00 177.26 173.56 1kfg n TRP 33 N -1.20 0.00 -4.72 -2.53 4.27 -1.26 -3.39 117.44 108.60 1kfg n TRP 33 Ca 0.14 0.00 -0.32 0.00 -3.89 0.00 0.00 57.50 53.44 1kfg n TRP 33 Cb 0.66 0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 30.48 1kfg n TRP 33 CO 0.00 0.00 0.00 1.03 -2.29 0.00 0.00 177.69 176.43 1kfg s ARG 34 N -0.17 2.28 0.07 -2.67 1.81 -1.26 -4.44 118.95 114.56 1kfg s ARG 34 Ca 0.00 -0.85 0.00 0.00 -1.72 0.00 0.00 55.73 53.16 1kfg s ARG 34 Cb 0.00 -2.29 -0.00 0.00 -0.45 0.00 0.00 34.95 32.21 1kfg s ARG 34 CO 0.00 0.57 0.08 -3.47 -0.68 0.00 0.00 175.30 171.81 1kfg n ASP 35 N 1.81 -0.22 -4.68 0.23 -0.08 -1.26 -4.91 116.55 107.43 1kfg n ASP 35 Ca -0.16 -1.39 -0.43 0.00 -1.51 0.00 0.00 54.79 51.30 1kfg n ASP 35 Cb 0.52 0.44 -0.01 0.00 2.34 0.00 0.00 41.12 44.41 1kfg n ASP 35 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1kfg n ASP 36 N -2.27 2.58 -3.44 1.67 8.00 -1.26 -4.80 116.55 117.02 1kfg n ASP 36 Ca 0.01 1.19 -0.12 0.00 0.71 0.00 0.00 54.79 56.58 1kfg n ASP 36 Cb 0.11 -1.45 -0.02 0.00 -0.02 0.00 0.00 41.12 39.74 1kfg n ASP 36 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1kfg s SER 37 N -0.20 -0.54 -1.70 -2.24 1.04 -1.10 -4.56 113.70 104.40 1kfg s SER 37 Ca 0.59 0.05 -0.00 0.00 0.48 0.00 0.00 55.95 57.07 1kfg s SER 37 Cb -0.60 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.07 1kfg s SER 37 CO 0.59 -0.88 0.02 0.61 0.98 0.00 0.00 173.24 174.56 1kfg n GLY 38 N -0.26 -0.50 0.08 7.32 0.00 -1.26 -0.03 105.19 110.54 1kfg n GLY 38 Ca -0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.96 1kfg n GLY 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1kfg n MET 39 N -3.03 0.11 -0.20 1.61 0.00 -1.26 -1.89 117.12 112.47 1kfg n MET 39 Ca -0.23 0.42 0.07 0.00 0.00 0.00 0.00 57.70 57.95 1kfg n MET 39 Cb 0.68 -1.74 0.18 0.00 0.00 0.00 0.00 33.22 32.34 1kfg n MET 39 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1kfg n LYS 40 N -1.95 2.75 -1.68 0.03 5.02 -1.26 -4.95 118.16 116.12 1kfg n LYS 40 Ca 0.02 -2.12 -0.49 0.00 -2.02 0.00 0.00 58.31 53.70 1kfg n LYS 40 Cb 0.16 -1.32 -0.05 0.00 -0.02 0.00 0.00 35.03 33.80 1kfg n LYS 40 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1kfg n ASP 41 N 0.72 3.24 0.00 4.39 9.92 -0.79 -0.82 116.55 133.22 1kfg n ASP 41 Ca 0.14 1.01 0.00 0.00 -0.53 0.00 0.00 54.79 55.40 1kfg n ASP 41 Cb 0.45 -1.36 0.00 0.00 -0.64 0.00 0.00 41.12 39.58 1kfg n ASP 41 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1kfg n GLY 42 N 4.16 1.17 0.32 0.44 0.00 -1.26 -1.86 105.19 108.16 1kfg n GLY 42 Ca 0.22 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.40 1kfg n GLY 42 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kfg h SER 43 N 0.00 0.00 0.89 1.61 4.64 -1.08 -0.02 113.55 119.59 1kfg h SER 43 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1kfg h SER 43 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1kfg h SER 43 CO 0.00 0.00 -0.22 -2.24 -0.87 0.00 0.00 176.83 173.50 1kfg h ASP 44 N 0.00 0.00 -0.19 4.97 2.03 -1.91 -3.04 116.42 118.28 1kfg h ASP 44 Ca 0.05 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.35 1kfg h ASP 44 Cb 0.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.77 1kfg h ASP 44 CO -0.00 0.22 0.00 1.33 -1.03 0.00 0.00 179.24 179.76 1kfg n VAL 45 N -3.40 0.81 -2.10 4.15 0.24 -0.11 -4.99 118.33 112.92 1kfg n VAL 45 Ca 0.00 -0.91 -0.11 0.00 -2.04 0.00 0.00 64.34 61.28 1kfg n VAL 45 Cb 0.42 0.62 -0.01 0.00 -1.47 0.00 0.00 33.84 33.40 1kfg n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kfg n GLY 46 N 0.22 0.07 3.11 7.63 0.00 -0.65 -5.03 105.19 110.54 1kfg n GLY 46 Ca 0.07 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 1kfg n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kfg s VAL 47 N -2.54 1.16 -0.57 1.61 1.01 -0.87 -5.01 120.40 115.20 1kfg s VAL 47 Ca 0.00 -0.61 -0.28 0.00 0.00 0.00 0.00 61.98 61.09 1kfg s VAL 47 Cb 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.42 1kfg s VAL 47 CO 0.00 0.33 1.41 -0.62 0.00 0.00 0.00 175.10 176.23 1kfg s ASP 48 N -0.20 6.12 -0.20 3.32 2.15 -1.26 -3.87 116.67 122.73 1kfg s ASP 48 Ca 0.03 0.27 0.15 0.00 0.43 0.00 0.00 52.55 53.42 1kfg s ASP 48 Cb -0.07 -2.55 0.47 0.00 -0.30 0.00 0.00 42.92 40.47 1kfg s ASP 48 CO 0.00 -1.72 1.37 0.18 -0.17 0.00 0.00 175.17 174.84 1kfg n LEU 49 N 9.59 3.60 -4.78 -1.34 4.77 -0.77 -4.79 117.00 123.28 1kfg n LEU 49 Ca 0.12 -3.30 -0.34 0.00 -0.03 0.00 0.00 56.01 52.47 1kfg n LEU 49 Cb 0.49 -0.55 0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1kfg n LEU 49 CO 0.71 0.89 0.75 0.42 -1.33 0.00 0.00 177.39 178.83 1kfg s THR 50 N -2.98 3.33 0.00 -5.08 -4.23 -1.24 -4.77 115.64 100.67 1kfg s THR 50 Ca 0.41 0.68 0.00 0.00 -1.18 0.00 0.00 61.69 61.60 1kfg s THR 50 Cb 0.35 -3.21 0.00 0.00 1.34 0.00 0.00 72.50 70.98 1kfg s THR 50 CO 0.04 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 1kfg n GLY 51 N -0.38 -0.53 4.70 3.99 0.00 -1.23 -4.81 105.19 106.92 1kfg n GLY 51 Ca 0.10 -2.18 0.01 0.00 0.00 0.00 0.00 46.02 43.96 1kfg n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfg n GLY 52 N 0.00 -1.98 3.40 -0.02 0.00 -1.25 -4.41 105.19 100.92 1kfg n GLY 52 Ca 0.00 -1.38 -0.32 0.00 0.00 0.00 0.00 46.02 44.32 1kfg n GLY 52 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1kfg s TRP 53 N -0.43 2.52 0.37 1.61 0.51 -1.26 -0.99 118.94 121.27 1kfg s TRP 53 Ca 0.00 -0.30 -0.27 0.00 -2.12 0.00 0.00 56.10 53.41 1kfg s TRP 53 Cb 0.00 -1.56 -0.09 0.00 -0.81 0.00 0.00 33.47 31.01 1kfg s TRP 53 CO 0.00 0.08 1.27 0.71 -0.51 0.00 0.00 176.95 178.50 1kfg s TYR 54 N -0.69 3.01 0.05 -1.98 2.02 0.79 -4.66 117.35 115.89 1kfg s TYR 54 Ca 0.11 1.46 -0.30 0.00 -0.37 0.00 0.00 57.07 57.97 1kfg s TYR 54 Cb -0.10 -3.60 -0.18 0.00 -0.40 0.00 0.00 41.96 37.68 1kfg s TYR 54 CO 0.00 -1.76 1.47 0.22 -1.57 0.00 0.00 175.55 173.91 1kfg h ASP 55 N 3.04 -0.66 0.00 2.29 3.58 -1.56 -3.44 116.42 119.68 1kfg h ASP 55 Ca -0.49 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 56.94 1kfg h ASP 55 Cb 1.23 0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.45 1kfg h ASP 55 CO 0.64 -0.39 0.00 0.00 -2.88 0.00 0.00 179.24 176.61 1kfg n ALA 56 N -2.50 0.00 0.47 -0.78 0.00 -1.26 -0.82 120.51 115.61 1kfg n ALA 56 Ca -0.12 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.38 1kfg n ALA 56 Cb 0.34 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.99 1kfg n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfg n GLY 57 N 0.96 1.30 0.00 0.00 0.00 -1.22 -4.81 105.19 101.42 1kfg n GLY 57 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1kfg n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kfg n ASP 58 N 0.71 1.61 -0.13 1.61 5.75 -1.26 -2.11 116.55 122.73 1kfg n ASP 58 Ca 0.15 -0.98 0.06 0.00 -0.01 0.00 0.00 54.79 54.02 1kfg n ASP 58 Cb 0.45 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.63 1kfg n ASP 58 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1kfg n HIS 59 N -0.19 0.00 -2.93 2.11 8.25 -1.26 -4.42 115.22 116.78 1kfg n HIS 59 Ca 0.00 -0.72 -0.34 0.00 -0.26 0.00 0.00 57.72 56.40 1kfg n HIS 59 Cb 0.00 -0.11 -0.07 0.00 1.12 0.00 0.00 29.99 30.93 1kfg n HIS 59 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1kfg s VAL 60 N -2.02 4.47 -0.42 1.59 1.01 -1.26 -4.88 120.40 118.89 1kfg s VAL 60 Ca 0.21 1.35 -0.08 0.00 0.00 0.00 0.00 61.98 63.46 1kfg s VAL 60 Cb 0.18 -3.67 0.09 0.00 0.00 0.00 0.00 36.38 32.98 1kfg s VAL 60 CO 0.02 -0.18 0.25 -0.54 0.00 0.00 0.00 175.10 174.65 1kfg s LYS 61 N -2.88 2.47 -0.50 2.72 1.02 -0.61 -1.77 119.74 120.19 1kfg s LYS 61 Ca 0.57 -1.58 -0.14 0.00 0.02 0.00 0.00 55.97 54.84 1kfg s LYS 61 Cb -0.11 -3.75 0.11 0.00 -0.52 0.00 0.00 37.83 33.56 1kfg s LYS 61 CO 0.16 -1.01 0.42 -0.06 -0.92 0.00 0.00 175.35 173.95 1kfg s PHE 62 N 1.35 3.29 0.57 3.18 0.08 -1.26 -2.18 117.98 123.01 1kfg s PHE 62 Ca 0.04 -1.32 0.30 0.00 0.12 0.00 0.00 56.93 56.06 1kfg s PHE 62 Cb -0.23 -3.49 1.79 0.00 -0.57 0.00 0.00 43.02 40.51 1kfg s PHE 62 CO 0.00 -0.94 2.23 -0.91 -0.10 0.00 0.00 175.22 175.51 1kfg h ASN 63 N 8.73 0.00 0.41 1.36 -0.26 -1.85 -2.19 115.58 121.77 1kfg h ASN 63 Ca -0.27 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.45 1kfg h ASN 63 Cb 1.10 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.36 1kfg h ASN 63 CO 0.94 0.02 -0.20 0.25 -1.06 0.00 0.00 177.43 177.38 1kfg h LEU 64 N 0.00 -0.47 -1.10 1.61 5.85 -1.89 -0.24 115.31 119.07 1kfg h LEU 64 Ca -0.00 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 1kfg h LEU 64 Cb 0.05 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1kfg h LEU 64 CO 0.00 -0.11 -0.37 1.55 -0.34 0.00 0.00 178.44 179.18 1kfg h PRO 65 N -0.87 0.00 -0.28 5.25 0.13 -1.87 -1.66 132.00 132.70 1kfg h PRO 65 Ca -0.06 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 1kfg h PRO 65 Cb 0.55 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 1kfg h PRO 65 CO 0.09 0.37 0.07 1.98 -0.23 0.00 0.00 178.00 180.28 1kfg h MET 66 N 0.00 0.45 -0.01 0.86 4.05 -1.33 -1.13 114.93 117.83 1kfg h MET 66 Ca -0.00 -0.11 -0.15 0.00 -0.28 0.00 0.00 59.70 59.16 1kfg h MET 66 Cb 0.80 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.53 1kfg h MET 66 CO 0.05 0.54 -0.68 0.66 0.23 0.00 0.00 176.91 177.71 1kfg h SER 67 N 0.29 0.09 -0.49 1.39 4.64 -0.94 -2.41 113.55 116.12 1kfg h SER 67 Ca 0.09 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1kfg h SER 67 Cb 0.28 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1kfg h SER 67 CO 0.00 0.73 0.28 0.22 -0.87 0.00 0.00 176.83 177.20 1kfg h TYR 68 N 0.05 0.66 0.52 4.77 3.20 -1.15 -1.23 116.97 123.79 1kfg h TYR 68 Ca -0.01 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1kfg h TYR 68 Cb 1.20 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.26 1kfg h TYR 68 CO 0.01 0.48 -0.28 1.15 -1.64 0.00 0.00 178.16 177.88 1kfg h THR 69 N 0.65 0.43 -0.31 1.81 2.02 -0.97 -1.03 112.91 115.51 1kfg h THR 69 Ca 0.17 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.32 1kfg h THR 69 Cb 0.03 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1kfg h THR 69 CO -0.03 0.00 0.04 0.77 0.37 0.00 0.00 175.52 176.67 1kfg h SER 70 N -0.74 0.41 -0.52 4.18 4.64 -1.41 -0.33 113.55 119.78 1kfg h SER 70 Ca -0.07 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.15 1kfg h SER 70 Cb 0.58 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 1kfg h SER 70 CO 0.10 0.45 0.17 0.00 -0.87 0.00 0.00 176.83 176.68 1kfg h ALA 71 N 1.61 0.68 -0.45 5.18 0.00 -1.05 -0.71 119.26 124.52 1kfg h ALA 71 Ca 0.10 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1kfg h ALA 71 Cb 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1kfg h ALA 71 CO 0.00 0.33 -0.13 0.52 0.00 0.00 0.00 179.25 179.97 1kfg h MET 72 N 0.71 0.83 -0.43 0.00 2.86 -0.42 -0.56 114.93 117.93 1kfg h MET 72 Ca 0.17 -0.29 -0.07 0.00 -2.06 0.00 0.00 59.70 57.45 1kfg h MET 72 Cb 0.26 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1kfg h MET 72 CO -0.01 0.92 0.01 -0.07 1.06 0.00 0.00 176.91 178.82 1kfg h LEU 73 N 0.75 0.73 -0.94 1.22 3.38 -0.87 -1.89 115.31 117.68 1kfg h LEU 73 Ca 0.12 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1kfg h LEU 73 Cb 0.63 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1kfg h LEU 73 CO 0.04 0.85 0.16 0.00 0.09 0.00 0.00 178.44 179.58 1kfg h ALA 74 N 0.90 1.14 -1.00 1.53 0.00 -0.96 -1.65 119.26 119.23 1kfg h ALA 74 Ca 0.12 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1kfg h ALA 74 Cb 0.47 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1kfg h ALA 74 CO 0.02 0.58 0.66 2.35 0.00 0.00 0.00 179.25 182.86 1kfg h TRP 75 N 0.89 1.26 -0.26 0.00 7.01 -0.78 0.53 115.95 124.60 1kfg h TRP 75 Ca 0.20 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.20 1kfg h TRP 75 Cb 0.30 -0.43 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 1kfg h TRP 75 CO 0.02 0.80 0.07 1.03 -2.79 0.00 0.00 178.44 177.57 1kfg h SER 76 N 1.36 0.39 -0.26 2.65 0.87 -0.68 -0.24 113.55 117.64 1kfg h SER 76 Ca 0.37 -0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1kfg h SER 76 Cb -0.15 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 1kfg h SER 76 CO -0.08 0.51 0.07 0.25 -0.53 0.00 0.00 176.83 177.06 1kfg h LEU 77 N 0.26 0.45 -0.36 2.23 5.85 -0.85 0.34 115.31 123.23 1kfg h LEU 77 Ca 0.08 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 1kfg h LEU 77 Cb 0.26 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1kfg h LEU 77 CO -0.00 0.46 -0.12 0.22 -0.34 0.00 0.00 178.44 178.67 1kfg h TYR 78 N 0.48 0.81 0.02 1.25 5.03 -0.56 -2.44 116.97 121.56 1kfg h TYR 78 Ca 0.11 -0.18 -0.25 0.00 2.58 0.00 0.00 58.73 60.99 1kfg h TYR 78 Cb 0.20 -0.19 0.01 0.00 1.55 0.00 0.00 36.73 38.30 1kfg h TYR 78 CO 0.01 0.88 -1.01 0.93 -1.32 0.00 0.00 178.16 177.64 1kfg h GLU 79 N 0.50 0.51 -1.08 1.82 4.39 -0.38 -3.40 114.58 116.95 1kfg h GLU 79 Ca 0.09 -0.57 -0.44 0.00 0.34 0.00 0.00 59.36 58.78 1kfg h GLU 79 Cb 0.64 0.17 -0.41 0.00 -0.10 0.00 0.00 28.75 29.04 1kfg h GLU 79 CO 0.04 1.20 -0.99 -0.25 -1.16 0.00 0.00 179.01 177.85 1kfg n ASP 80 N -3.77 2.91 -0.29 1.42 8.00 0.11 -4.87 116.55 120.06 1kfg n ASP 80 Ca -0.09 -3.07 0.14 0.00 0.71 0.00 0.00 54.79 52.48 1kfg n ASP 80 Cb 0.87 -0.48 0.39 0.00 -0.02 0.00 0.00 41.12 41.88 1kfg n ASP 80 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1kfg h LYS 81 N 2.73 0.64 -0.25 -1.24 3.64 -1.62 -0.20 116.57 120.26 1kfg h LYS 81 Ca 0.08 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1kfg h LYS 81 Cb 1.14 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1kfg h LYS 81 CO 0.60 0.42 0.17 0.38 -2.27 0.00 0.00 179.45 178.76 1kfg h ASP 82 N 0.66 0.21 -0.27 4.20 2.03 -1.89 -0.17 116.42 121.18 1kfg h ASP 82 Ca 0.49 -0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.64 1kfg h ASP 82 Cb 0.86 -0.05 -0.00 0.00 -0.83 0.00 0.00 39.33 39.31 1kfg h ASP 82 CO -0.24 0.15 -0.41 0.00 -1.03 0.00 0.00 179.24 177.71 1kfg h ALA 83 N 1.86 0.41 -0.27 4.15 0.00 -1.37 -2.35 119.26 121.69 1kfg h ALA 83 Ca 0.10 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1kfg h ALA 83 Cb 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1kfg h ALA 83 CO -0.02 0.52 -0.01 1.88 0.00 0.00 0.00 179.25 181.63 1kfg h TYR 84 N 0.50 0.52 0.10 0.00 0.05 -1.21 -2.04 116.97 114.90 1kfg h TYR 84 Ca 0.03 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.72 1kfg h TYR 84 Cb 1.00 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.60 1kfg h TYR 84 CO 0.08 0.64 -0.10 -0.44 -1.05 0.00 0.00 178.16 177.29 1kfg h ASP 85 N 0.26 -0.26 -0.47 3.88 3.45 -1.08 -0.58 116.42 121.62 1kfg h ASP 85 Ca 0.08 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.54 1kfg h ASP 85 Cb 0.44 0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 39.27 1kfg h ASP 85 CO 0.02 -0.15 0.24 0.11 -1.57 0.00 0.00 179.24 177.88 1kfg h LYS 86 N -0.22 0.70 -0.00 3.56 1.57 -1.44 -1.22 116.57 119.52 1kfg h LYS 86 Ca 0.01 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1kfg h LYS 86 Cb 0.21 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1kfg h LYS 86 CO -0.03 0.55 -0.12 -1.13 -0.57 0.00 0.00 179.45 178.15 1kfg n SER 87 N -4.38 0.16 -1.07 0.86 3.41 -0.77 -4.92 113.62 106.92 1kfg n SER 87 Ca 0.04 0.13 -0.11 0.00 -0.26 0.00 0.00 58.87 58.68 1kfg n SER 87 Cb 0.13 -0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 63.79 1kfg n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kfg n GLY 88 N 1.45 0.50 0.51 5.00 0.00 -0.34 -4.80 105.19 107.51 1kfg n GLY 88 Ca 0.08 -0.47 0.09 0.00 0.00 0.00 0.00 46.02 45.73 1kfg n GLY 88 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1kfg n GLN 89 N -2.34 1.57 -0.23 1.61 1.13 -0.49 -4.65 117.38 113.99 1kfg n GLN 89 Ca -0.12 -1.09 0.03 0.00 -1.94 0.00 0.00 57.00 53.87 1kfg n GLN 89 Cb 0.49 -1.35 0.13 0.00 0.11 0.00 0.00 30.24 29.62 1kfg n GLN 89 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1kfg h THR 90 N 2.52 0.44 -0.44 5.09 2.02 -1.86 -1.09 112.91 119.59 1kfg h THR 90 Ca 0.00 -0.04 0.06 0.00 0.77 0.00 0.00 66.41 67.20 1kfg h THR 90 Cb 0.67 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.33 1kfg h THR 90 CO 0.00 0.02 0.14 0.50 0.37 0.00 0.00 175.52 176.55 1kfg h LYS 91 N 0.13 0.28 -0.42 6.66 3.64 -1.91 -1.57 116.57 123.38 1kfg h LYS 91 Ca 0.37 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.69 1kfg h LYS 91 Cb 0.62 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1kfg h LYS 91 CO -0.58 0.19 0.10 1.88 -2.27 0.00 0.00 179.45 178.77 1kfg h TYR 92 N 0.29 0.71 -0.10 1.91 -1.99 -1.54 -0.77 116.97 115.48 1kfg h TYR 92 Ca 0.21 -0.09 -0.14 0.00 2.00 0.00 0.00 58.73 60.71 1kfg h TYR 92 Cb 0.22 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 38.74 1kfg h TYR 92 CO -0.17 0.67 -0.54 0.97 -0.00 0.00 0.00 178.16 179.09 1kfg h ILE 93 N 0.55 1.36 -0.48 -2.88 2.10 -1.31 -2.04 117.51 114.81 1kfg h ILE 93 Ca 0.13 -1.83 -0.12 0.00 1.08 0.00 0.00 64.86 64.12 1kfg h ILE 93 Cb 0.32 1.88 -0.02 0.00 -1.09 0.00 0.00 36.82 37.91 1kfg h ILE 93 CO 0.00 0.55 -0.17 0.24 -1.08 0.00 0.00 178.15 177.69 1kfg h MET 94 N 0.23 0.94 -0.77 2.19 2.86 -1.13 -0.56 114.93 118.69 1kfg h MET 94 Ca 0.00 -0.37 -0.04 0.00 -2.06 0.00 0.00 59.70 57.24 1kfg h MET 94 Cb 1.03 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.60 1kfg h MET 94 CO 0.09 1.03 0.34 -0.44 1.06 0.00 0.00 176.91 178.98 1kfg h ASP 95 N 0.83 1.04 -0.01 1.22 3.32 -0.97 -0.43 116.42 121.41 1kfg h ASP 95 Ca 0.12 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1kfg h ASP 95 Cb 0.72 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 1kfg h ASP 95 CO 0.06 0.90 0.00 1.23 -1.72 0.00 0.00 179.24 179.71 1kfg h GLY 96 N 1.14 0.02 0.70 2.75 0.00 -1.01 0.38 103.07 107.06 1kfg h GLY 96 Ca 0.26 -0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.64 1kfg h GLY 96 CO -0.03 0.01 0.47 -2.22 0.00 0.00 0.00 176.54 174.77 1kfg h ILE 97 N -0.18 1.01 -0.14 2.60 2.04 -0.88 -1.68 117.51 120.27 1kfg h ILE 97 Ca 0.00 -0.29 -0.12 0.00 1.00 0.00 0.00 64.86 65.45 1kfg h ILE 97 Cb 0.20 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1kfg h ILE 97 CO -0.00 0.16 -0.43 0.50 0.00 0.00 0.00 178.15 178.37 1kfg h LYS 98 N 0.85 0.33 -0.48 2.37 3.64 -0.91 -1.80 116.57 120.57 1kfg h LYS 98 Ca 0.34 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1kfg h LYS 98 Cb 0.18 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1kfg h LYS 98 CO -0.18 0.71 0.30 2.35 -2.27 0.00 0.00 179.45 180.37 1kfg h TRP 99 N 0.27 0.57 -0.08 1.91 2.91 0.01 0.19 115.95 121.73 1kfg h TRP 99 Ca 0.02 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.02 1kfg h TRP 99 Cb 0.88 -0.19 -0.00 0.00 -0.51 0.00 0.00 29.16 29.34 1kfg h TRP 99 CO 0.02 0.34 -0.09 0.00 -1.03 0.00 0.00 178.44 177.68 1kfg h ALA 100 N 1.19 0.11 0.00 2.65 0.00 -1.36 -3.13 119.26 118.73 1kfg h ALA 100 Ca 0.18 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1kfg h ALA 100 Cb -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1kfg h ALA 100 CO -0.06 -0.05 -0.37 -0.91 0.00 0.00 0.00 179.25 177.87 1kfg h ASN 101 N -0.25 0.00 -0.22 0.00 2.35 -1.19 -1.27 115.58 115.01 1kfg h ASN 101 Ca 0.01 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 1kfg h ASN 101 Cb 0.63 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.98 1kfg h ASN 101 CO 0.02 0.37 -0.05 0.44 -1.65 0.00 0.00 177.43 176.56 1kfg h ASP 102 N 0.00 0.52 -0.21 5.81 3.32 -0.68 -1.23 116.42 123.95 1kfg h ASP 102 Ca -0.00 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 1kfg h ASP 102 Cb 0.67 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1kfg h ASP 102 CO 0.05 0.62 -0.18 0.22 -1.72 0.00 0.00 179.24 178.23 1kfg h TYR 103 N 0.52 0.59 -0.59 4.55 3.20 -1.29 -2.16 116.97 121.78 1kfg h TYR 103 Ca 0.10 -0.17 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 1kfg h TYR 103 Cb 0.41 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 1kfg h TYR 103 CO 0.01 0.83 0.34 0.74 -1.64 0.00 0.00 178.16 178.44 1kfg h PHE 104 N 0.18 0.78 -0.24 -3.82 0.04 -0.94 -0.45 116.94 112.49 1kfg h PHE 104 Ca 0.04 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 1kfg h PHE 104 Cb 0.72 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 1kfg h PHE 104 CO 0.08 0.53 0.14 0.82 -0.60 0.00 0.00 178.31 179.28 1kfg h ILE 105 N 0.82 1.10 -0.49 -0.55 2.04 -1.09 -1.64 117.51 117.69 1kfg h ILE 105 Ca 0.21 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1kfg h ILE 105 Cb -0.01 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1kfg h ILE 105 CO -0.04 0.10 0.32 0.11 0.00 0.00 0.00 178.15 178.65 1kfg h LYS 106 N 0.29 0.47 0.00 2.37 1.57 -0.60 -0.99 116.57 119.67 1kfg h LYS 106 Ca 0.08 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1kfg h LYS 106 Cb 0.04 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1kfg h LYS 106 CO -0.02 0.31 0.00 0.00 -0.57 0.00 0.00 179.45 179.18 1kfg n ASN 108 N -1.35 4.50 0.24 0.00 4.05 -0.38 -0.68 115.26 121.64 1kfg n ASN 108 Ca 0.07 -3.63 0.11 0.00 0.45 0.00 0.00 54.58 51.58 1kfg n ASN 108 Cb 0.16 -0.62 0.71 0.00 1.23 0.00 0.00 39.78 41.26 1kfg n ASN 108 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1kfg h PRO 109 N 3.33 0.00 -3.14 1.20 0.13 -1.71 -3.44 132.00 128.37 1kfg h PRO 109 Ca 0.16 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.18 1kfg h PRO 109 Cb 0.53 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.47 1kfg h PRO 109 CO 0.85 0.00 -0.28 -0.08 -0.23 0.00 0.00 178.00 178.26 1kfg s THR 110 N -4.95 0.07 0.14 1.56 -1.32 -1.26 -5.10 115.64 104.77 1kfg s THR 110 Ca -0.05 -0.55 -0.35 0.00 -1.21 0.00 0.00 61.69 59.53 1kfg s THR 110 Cb 0.17 -0.70 -0.15 0.00 -1.51 0.00 0.00 72.50 70.31 1kfg s THR 110 CO 0.64 -0.31 1.49 -2.65 -2.21 0.00 0.00 174.62 171.59 1kfg n PRO 111 N 1.08 1.82 -0.66 7.08 -0.02 -1.26 -2.04 135.00 140.99 1kfg n PRO 111 Ca -0.21 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1kfg n PRO 111 Cb 0.57 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1kfg n PRO 111 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kfg n GLY 112 N 3.07 0.80 3.12 -1.23 0.00 -1.26 -5.04 105.19 104.65 1kfg n GLY 112 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1kfg n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kfg s VAL 113 N -3.03 1.65 -0.05 1.61 1.01 -0.87 -4.22 120.40 116.50 1kfg s VAL 113 Ca 0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 1kfg s VAL 113 Cb 0.00 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 34.95 1kfg s VAL 113 CO 0.00 0.47 0.05 -0.47 0.00 0.00 0.00 175.10 175.15 1kfg s TYR 114 N 0.58 0.15 -0.23 5.22 5.04 -0.90 -4.19 117.35 123.01 1kfg s TYR 114 Ca -0.15 0.19 -0.23 0.00 -2.44 0.00 0.00 57.07 54.44 1kfg s TYR 114 Cb -0.17 -0.53 -0.01 0.00 0.35 0.00 0.00 41.96 41.60 1kfg s TYR 114 CO 0.05 -0.22 0.75 0.71 -1.34 0.00 0.00 175.55 175.51 1kfg s TYR 115 N 2.14 3.32 -1.72 4.97 2.02 0.14 -0.31 117.35 127.92 1kfg s TYR 115 Ca 0.05 1.04 0.16 0.00 -0.37 0.00 0.00 57.07 57.94 1kfg s TYR 115 Cb -0.12 -2.96 0.25 0.00 -0.40 0.00 0.00 41.96 38.72 1kfg s TYR 115 CO -0.03 -0.34 1.15 2.48 -1.57 0.00 0.00 175.55 177.23 1kfg n TYR 116 N 5.76 0.26 -3.61 2.71 0.18 -0.00 -4.80 117.16 117.66 1kfg n TYR 116 Ca 0.03 -0.20 -0.11 0.00 1.88 0.00 0.00 57.90 59.50 1kfg n TYR 116 Cb 0.48 -0.01 -0.06 0.00 -0.38 0.00 0.00 39.34 39.37 1kfg n TYR 116 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1kfg s GLN 117 N -1.19 0.64 -0.12 -3.48 0.74 -1.22 -2.30 119.66 112.73 1kfg s GLN 117 Ca 0.24 0.49 -0.01 0.00 0.05 0.00 0.00 55.36 56.13 1kfg s GLN 117 Cb 0.15 0.31 0.03 0.00 1.10 0.00 0.00 33.01 34.60 1kfg s GLN 117 CO 0.21 -0.13 -0.03 0.08 -0.55 0.00 0.00 175.29 174.87 1kfg s VAL 118 N -0.29 0.78 0.00 1.34 1.01 -0.93 -1.50 120.40 120.81 1kfg s VAL 118 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1kfg s VAL 118 Cb -0.03 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1kfg s VAL 118 CO -0.01 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.90 1kfg n GLY 119 N 5.00 3.07 3.34 4.51 0.00 0.74 -1.57 105.19 120.29 1kfg n GLY 119 Ca -0.10 -1.78 -0.35 0.00 0.00 0.00 0.00 46.02 43.79 1kfg n GLY 119 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1kfg s ASP 120 N 0.00 4.43 0.19 1.61 -1.08 -1.26 -4.72 116.67 115.84 1kfg s ASP 120 Ca 0.00 -0.34 -0.16 0.00 -0.52 0.00 0.00 52.55 51.53 1kfg s ASP 120 Cb 0.00 -1.76 0.18 0.00 -1.46 0.00 0.00 42.92 39.88 1kfg s ASP 120 CO 0.00 0.00 1.63 1.23 0.52 0.00 0.00 175.17 178.55 1kfg h GLY 121 N 7.96 0.29 0.53 2.66 0.00 -1.97 0.36 103.07 112.90 1kfg h GLY 121 Ca -0.40 0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.18 1kfg h GLY 121 CO 0.60 -0.22 -0.35 -1.33 0.00 0.00 0.00 176.54 175.24 1kfg h GLY 122 N -0.05 -0.77 1.03 4.60 0.00 -1.96 -0.74 103.07 105.17 1kfg h GLY 122 Ca 0.26 0.41 -0.10 0.00 0.00 0.00 0.00 47.33 47.90 1kfg h GLY 122 CO -0.59 -0.28 -0.10 0.50 0.00 0.00 0.00 176.54 176.07 1kfg h LYS 123 N -0.67 0.88 -0.58 4.80 1.57 -1.88 -2.82 116.57 117.87 1kfg h LYS 123 Ca -0.00 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 1kfg h LYS 123 Cb 0.64 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1kfg h LYS 123 CO -0.12 0.98 0.30 0.22 -0.57 0.00 0.00 179.45 180.26 1kfg h ASP 124 N 0.72 0.73 1.24 0.86 1.82 -0.21 -2.93 116.42 118.66 1kfg h ASP 124 Ca 0.12 -0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1kfg h ASP 124 Cb 0.65 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.47 1kfg h ASP 124 CO 0.04 0.63 0.00 1.41 -1.61 0.00 0.00 179.24 179.71 1kfg n HIS 125 N -4.57 0.91 1.17 0.28 8.25 -0.29 -3.46 115.22 117.50 1kfg n HIS 125 Ca 0.03 0.29 0.12 0.00 -0.26 0.00 0.00 57.72 57.91 1kfg n HIS 125 Cb 0.10 -0.97 0.63 0.00 1.12 0.00 0.00 29.99 30.86 1kfg n HIS 125 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1kfg n SER 126 N -2.27 0.00 -4.17 0.41 3.41 -1.07 -4.73 113.62 105.20 1kfg n SER 126 Ca 0.04 -0.05 -0.26 0.00 -0.26 0.00 0.00 58.87 58.34 1kfg n SER 126 Cb 0.37 -0.29 -0.16 0.00 -0.26 0.00 0.00 64.21 63.86 1kfg n SER 126 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1kfg s TRP 127 N -2.59 1.78 -0.45 7.33 -0.00 -1.22 -5.10 118.94 118.68 1kfg s TRP 127 Ca 0.23 -0.45 0.01 0.00 -0.00 0.00 0.00 56.10 55.89 1kfg s TRP 127 Cb 0.17 -1.17 0.12 0.00 -0.00 0.00 0.00 33.47 32.59 1kfg s TRP 127 CO 0.38 -0.12 0.21 -0.46 -0.00 0.00 0.00 176.95 176.97 1kfg s TRP 128 N -0.17 3.53 0.25 5.86 -0.11 -1.26 -5.02 118.94 122.02 1kfg s TRP 128 Ca 0.01 -2.82 -0.20 0.00 1.22 0.00 0.00 56.10 54.31 1kfg s TRP 128 Cb -0.10 -3.05 0.07 0.00 -1.50 0.00 0.00 33.47 28.89 1kfg s TRP 128 CO 0.01 -0.89 0.96 0.20 -4.62 0.00 0.00 176.95 172.61 1kfg s GLY 129 N 0.89 0.18 0.36 5.86 0.00 -1.26 -3.53 107.32 109.82 1kfg s GLY 129 Ca 0.12 -0.46 -0.26 0.00 0.00 0.00 0.00 44.72 44.12 1kfg s GLY 129 CO -0.04 1.53 1.12 2.56 0.00 0.00 0.00 173.10 178.27 1kfg s PRO 130 N -2.24 4.29 0.31 2.90 0.04 -1.26 -4.29 135.00 134.74 1kfg s PRO 130 Ca 0.20 1.77 0.07 0.00 0.04 0.00 0.00 61.00 63.07 1kfg s PRO 130 Cb -0.03 -2.83 0.79 0.00 0.04 0.00 0.00 34.50 32.47 1kfg s PRO 130 CO 0.07 -0.10 1.75 0.00 0.04 0.00 0.00 177.00 178.77 1kfg h ALA 131 N 3.02 1.69 -0.10 8.56 0.00 -1.93 -2.34 119.26 128.16 1kfg h ALA 131 Ca -0.48 0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.56 1kfg h ALA 131 Cb 1.22 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1kfg h ALA 131 CO 0.64 -0.16 0.16 0.93 0.00 0.00 0.00 179.25 180.82 1kfg h GLU 132 N 0.66 0.00 -0.01 0.00 3.07 -1.87 -2.93 114.58 113.50 1kfg h GLU 132 Ca 0.60 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.46 1kfg h GLU 132 Cb 1.04 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.95 1kfg h GLU 132 CO -0.43 0.00 -0.13 1.33 -1.40 0.00 0.00 179.01 178.38 1kfg n VAL 133 N -3.53 1.98 -1.66 3.13 0.24 -0.88 -4.86 118.33 112.75 1kfg n VAL 133 Ca -0.00 -2.51 -0.46 0.00 -2.04 0.00 0.00 64.34 59.33 1kfg n VAL 133 Cb 0.26 -0.24 -0.03 0.00 -1.47 0.00 0.00 33.84 32.35 1kfg n VAL 133 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1kfg n MET 134 N -1.34 2.01 -0.00 7.34 2.81 -1.11 -4.89 117.12 121.94 1kfg n MET 134 Ca 0.17 0.72 0.06 0.00 -1.81 0.00 0.00 57.70 56.84 1kfg n MET 134 Cb 0.66 -2.41 -0.08 0.00 -0.71 0.00 0.00 33.22 30.68 1kfg n MET 134 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1kfg n GLN 135 N 2.50 1.63 -1.77 0.03 1.13 -1.26 -5.04 117.38 114.61 1kfg n GLN 135 Ca 0.14 -0.06 -0.31 0.00 -1.94 0.00 0.00 57.00 54.83 1kfg n GLN 135 Cb 0.30 -1.19 0.04 0.00 0.11 0.00 0.00 30.24 29.50 1kfg n GLN 135 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1kfg s MET 136 N -2.52 3.08 0.46 -1.09 0.23 -1.26 -5.02 119.30 113.18 1kfg s MET 136 Ca -0.00 0.71 -0.23 0.00 -1.03 0.00 0.00 55.69 55.14 1kfg s MET 136 Cb 0.08 -2.03 -0.07 0.00 -1.53 0.00 0.00 34.83 31.29 1kfg s MET 136 CO 0.50 -0.93 1.19 -1.83 -2.03 0.00 0.00 175.02 171.92 1kfg s GLU 137 N -5.19 3.74 -0.54 3.16 1.03 -1.26 -5.00 118.70 114.63 1kfg s GLU 137 Ca 0.57 1.83 0.04 0.00 0.03 0.00 0.00 54.97 57.45 1kfg s GLU 137 Cb -0.12 -2.43 0.16 0.00 -0.80 0.00 0.00 34.13 30.94 1kfg s GLU 137 CO 0.54 -0.59 0.38 1.03 -1.33 0.00 0.00 175.26 175.29 1kfg s ARG 138 N -2.66 1.65 0.57 -4.83 0.52 -1.26 -4.64 118.95 108.30 1kfg s ARG 138 Ca 0.63 -2.62 -0.19 0.00 -0.52 0.00 0.00 55.73 53.04 1kfg s ARG 138 Cb -0.30 -2.47 -0.05 0.00 0.52 0.00 0.00 34.95 32.66 1kfg s ARG 138 CO 0.37 -1.30 1.16 -1.25 0.02 0.00 0.00 175.30 174.30 1kfg s PRO 139 N -0.52 3.16 0.05 3.54 0.04 -1.26 -4.21 135.00 135.80 1kfg s PRO 139 Ca 0.26 1.70 -0.05 0.00 0.04 0.00 0.00 61.00 62.95 1kfg s PRO 139 Cb -0.06 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 1kfg s PRO 139 CO -0.14 -1.03 0.29 -1.12 0.04 0.00 0.00 177.00 175.04 1kfg s SER 140 N -1.73 6.48 -0.01 6.66 0.01 -1.26 -0.18 113.70 123.67 1kfg s SER 140 Ca 0.75 0.53 0.03 0.00 1.31 0.00 0.00 55.95 58.56 1kfg s SER 140 Cb -0.27 -2.07 -0.01 0.00 0.21 0.00 0.00 66.02 63.89 1kfg s SER 140 CO 0.30 0.19 -0.09 -0.36 0.41 0.00 0.00 173.24 173.68 1kfg s PHE 141 N -1.43 0.86 0.14 2.43 0.08 -0.57 -5.01 117.98 114.49 1kfg s PHE 141 Ca 0.32 -0.17 0.04 0.00 0.12 0.00 0.00 56.93 57.24 1kfg s PHE 141 Cb -0.13 -0.56 -0.04 0.00 -0.57 0.00 0.00 43.02 41.72 1kfg s PHE 141 CO 0.20 -0.02 -0.08 -1.59 -0.10 0.00 0.00 175.22 173.63 1kfg s LYS 142 N -0.19 1.01 0.23 0.44 -2.85 -1.26 -0.82 119.74 116.30 1kfg s LYS 142 Ca 0.03 -1.43 0.11 0.00 -1.00 0.00 0.00 55.97 53.68 1kfg s LYS 142 Cb -0.04 -0.50 -0.05 0.00 -2.06 0.00 0.00 37.83 35.19 1kfg s LYS 142 CO -0.00 0.04 -0.20 0.14 0.10 0.00 0.00 175.35 175.42 1kfg s VAL 143 N -3.42 2.24 0.00 1.79 -7.23 0.58 -4.92 120.40 109.44 1kfg s VAL 143 Ca 0.16 -2.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 1kfg s VAL 143 Cb 0.04 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.83 1kfg s VAL 143 CO -0.01 -0.33 0.00 -0.90 -0.31 0.00 0.00 175.10 173.55 1kfg n ASP 144 N -0.19 0.00 -0.36 4.85 3.85 0.55 -2.12 116.55 123.13 1kfg n ASP 144 Ca -0.09 -0.98 0.04 0.00 -0.71 0.00 0.00 54.79 53.06 1kfg n ASP 144 Cb 0.58 0.00 0.20 0.00 -1.35 0.00 0.00 41.12 40.55 1kfg n ASP 144 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1kfg h ALA 145 N 2.00 1.42 0.00 2.12 0.00 -1.96 -2.21 119.26 120.63 1kfg h ALA 145 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1kfg h ALA 145 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1kfg h ALA 145 CO 0.00 0.35 -0.28 0.66 0.00 0.00 0.00 179.25 179.98 1kfg h SER 146 N 1.09 0.00 -2.83 0.00 4.64 -1.96 -3.38 113.55 111.11 1kfg h SER 146 Ca 0.45 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 61.19 1kfg h SER 146 Cb 0.29 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 61.99 1kfg h SER 146 CO -0.21 0.28 -0.82 -0.54 -0.87 0.00 0.00 176.83 174.67 1kfg s LYS 147 N -3.33 0.70 0.54 4.77 -0.14 -0.86 -4.95 119.74 116.48 1kfg s LYS 147 Ca 0.03 -1.42 -0.16 0.00 -1.36 0.00 0.00 55.97 53.06 1kfg s LYS 147 Cb 0.08 -1.55 -0.07 0.00 -1.68 0.00 0.00 37.83 34.62 1kfg s LYS 147 CO 0.68 -1.18 1.00 -1.25 -0.76 0.00 0.00 175.35 173.84 1kfg s PRO 148 N 0.99 3.81 -0.43 -1.68 0.04 -1.08 -0.33 135.00 136.32 1kfg s PRO 148 Ca 0.17 0.96 0.07 0.00 0.04 0.00 0.00 61.00 62.24 1kfg s PRO 148 Cb -0.23 -2.11 0.24 0.00 0.04 0.00 0.00 34.50 32.44 1kfg s PRO 148 CO -0.02 -0.39 0.63 0.41 0.04 0.00 0.00 177.00 177.67 1kfg n GLY 149 N -1.66 1.76 0.24 0.56 0.00 -1.20 0.94 105.19 105.84 1kfg n GLY 149 Ca 0.07 -0.92 -0.03 0.00 0.00 0.00 0.00 46.02 45.14 1kfg n GLY 149 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1kfg h SER 150 N 4.16 0.52 -0.09 1.61 0.02 -1.26 -0.27 113.55 118.24 1kfg h SER 150 Ca 0.01 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1kfg h SER 150 Cb 0.94 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.39 1kfg h SER 150 CO 0.39 0.35 0.02 0.00 -1.14 0.00 0.00 176.83 176.45 1kfg h ALA 151 N 1.31 0.12 -0.15 3.77 0.00 -1.84 -0.34 119.26 122.13 1kfg h ALA 151 Ca 0.27 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1kfg h ALA 151 Cb 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1kfg h ALA 151 CO -0.16 -0.24 -0.45 -0.24 0.00 0.00 0.00 179.25 178.16 1kfg h VAL 152 N -0.07 1.32 -0.32 0.00 3.04 -1.92 0.11 116.25 118.40 1kfg h VAL 152 Ca 0.03 -1.63 -0.09 0.00 -1.01 0.00 0.00 66.70 64.00 1kfg h VAL 152 Cb 0.27 1.70 -0.01 0.00 -2.01 0.00 0.00 31.29 31.24 1kfg h VAL 152 CO 0.00 0.50 -0.13 0.00 -1.01 0.00 0.00 177.57 176.93 1kfg h ALA 154 N 0.78 0.59 -0.84 0.00 0.00 -0.95 -0.10 119.26 118.74 1kfg h ALA 154 Ca 0.08 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1kfg h ALA 154 Cb 0.65 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1kfg h ALA 154 CO 0.04 0.68 0.48 1.03 0.00 0.00 0.00 179.25 181.48 1kfg h SER 155 N 0.57 1.04 -0.26 0.00 0.87 -0.73 0.11 113.55 115.15 1kfg h SER 155 Ca 0.02 -0.08 -0.16 0.00 -1.23 0.00 0.00 61.79 60.33 1kfg h SER 155 Cb 1.11 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1kfg h SER 155 CO 0.11 0.82 -0.46 0.74 -0.53 0.00 0.00 176.83 177.52 1kfg h THR 156 N 1.18 1.28 -0.89 2.23 2.02 -1.06 -1.70 112.91 115.97 1kfg h THR 156 Ca 0.30 -1.64 0.01 0.00 0.77 0.00 0.00 66.41 65.85 1kfg h THR 156 Cb 0.00 1.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 1kfg h THR 156 CO -0.05 0.54 0.59 0.00 0.37 0.00 0.00 175.52 176.96 1kfg h ALA 157 N 0.82 1.13 -0.64 6.16 0.00 -0.22 -0.06 119.26 126.45 1kfg h ALA 157 Ca 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1kfg h ALA 157 Cb 1.04 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1kfg h ALA 157 CO 0.10 0.52 0.23 0.00 0.00 0.00 0.00 179.25 180.10 1kfg h ALA 158 N 1.33 0.83 -0.14 0.00 0.00 -0.59 0.93 119.26 121.61 1kfg h ALA 158 Ca 0.33 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1kfg h ALA 158 Cb -0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1kfg h ALA 158 CO -0.07 0.48 0.08 1.03 0.00 0.00 0.00 179.25 180.77 1kfg h SER 159 N 0.91 0.18 -0.56 0.00 0.87 -0.56 -0.66 113.55 113.72 1kfg h SER 159 Ca 0.21 -0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 1kfg h SER 159 Cb 0.25 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 1kfg h SER 159 CO -0.01 0.22 0.19 -0.07 -0.53 0.00 0.00 176.83 176.63 1kfg h LEU 160 N 0.13 0.81 -0.45 2.23 3.38 -0.79 -0.75 115.31 119.87 1kfg h LEU 160 Ca 0.05 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 1kfg h LEU 160 Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1kfg h LEU 160 CO -0.01 0.79 -0.15 0.00 0.09 0.00 0.00 178.44 179.16 1kfg h ALA 161 N 1.05 0.63 -0.28 1.53 0.00 -0.75 -1.23 119.26 120.21 1kfg h ALA 161 Ca 0.18 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1kfg h ALA 161 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1kfg h ALA 161 CO -0.01 0.56 -0.24 0.66 0.00 0.00 0.00 179.25 180.22 1kfg h SER 162 N 0.74 0.53 -0.59 0.00 4.64 -1.03 -1.73 113.55 116.12 1kfg h SER 162 Ca 0.11 -0.18 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 1kfg h SER 162 Cb 0.71 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 1kfg h SER 162 CO 0.05 0.77 0.18 0.00 -0.87 0.00 0.00 176.83 176.96 1kfg h ALA 163 N 1.27 0.77 -0.80 5.18 0.00 -0.90 -2.61 119.26 122.16 1kfg h ALA 163 Ca 0.07 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1kfg h ALA 163 Cb 0.68 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1kfg h ALA 163 CO 0.05 0.44 0.52 0.00 0.00 0.00 0.00 179.25 180.27 1kfg h ALA 164 N 1.05 1.04 -0.31 0.00 0.00 -0.67 -0.09 119.26 120.29 1kfg h ALA 164 Ca 0.19 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1kfg h ALA 164 Cb 0.30 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1kfg h ALA 164 CO -0.00 0.37 0.10 0.28 0.00 0.00 0.00 179.25 180.00 1kfg h VAL 165 N 1.03 0.92 0.00 0.00 2.07 -1.06 -0.53 116.25 118.68 1kfg h VAL 165 Ca 0.31 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.75 1kfg h VAL 165 Cb -0.04 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1kfg h VAL 165 CO -0.09 0.04 -0.19 1.33 0.02 0.00 0.00 177.57 178.68 1kfg n VAL 166 N -5.03 0.35 0.59 2.57 0.24 -0.93 -3.65 118.33 112.48 1kfg n VAL 166 Ca -0.00 -0.19 0.10 0.00 -2.04 0.00 0.00 64.34 62.21 1kfg n VAL 166 Cb 0.11 -0.38 -0.14 0.00 -1.47 0.00 0.00 33.84 31.96 1kfg n VAL 166 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1kfg n PHE 167 N -1.98 0.01 -0.26 6.34 3.72 -0.09 -4.60 117.46 120.60 1kfg n PHE 167 Ca 0.05 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.51 1kfg n PHE 167 Cb 0.40 -0.21 0.19 0.00 -0.94 0.00 0.00 39.48 38.93 1kfg n PHE 167 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1kfg h LYS 168 N 0.00 0.37 -0.53 -1.08 3.64 -1.16 0.47 116.57 118.27 1kfg h LYS 168 Ca 0.00 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1kfg h LYS 168 Cb 0.70 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 1kfg h LYS 168 CO 0.00 0.24 -0.03 1.03 -2.27 0.00 0.00 179.45 178.42 1kfg h SER 169 N 0.38 0.90 0.15 4.20 0.87 -1.82 -3.02 113.55 115.21 1kfg h SER 169 Ca 0.42 -0.25 -0.27 0.00 -1.23 0.00 0.00 61.79 60.46 1kfg h SER 169 Cb 0.68 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 62.35 1kfg h SER 169 CO -0.45 0.98 -2.11 -1.54 -0.53 0.00 0.00 176.83 173.19 1kfg n SER 170 N -4.18 0.22 -3.19 6.23 3.41 -0.91 -4.73 113.62 110.46 1kfg n SER 170 Ca 0.02 0.10 -0.22 0.00 -0.26 0.00 0.00 58.87 58.51 1kfg n SER 170 Cb 0.34 0.94 -0.06 0.00 -0.26 0.00 0.00 64.21 65.17 1kfg n SER 170 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1kfg n ASP 171 N -2.71 -0.65 0.06 4.04 -0.08 0.16 -4.99 116.55 112.38 1kfg n ASP 171 Ca -0.23 -2.64 0.13 0.00 -1.51 0.00 0.00 54.79 50.54 1kfg n ASP 171 Cb 1.00 -0.19 0.61 0.00 2.34 0.00 0.00 41.12 44.87 1kfg n ASP 171 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1kfg h PRO 172 N 4.70 0.14 -0.30 -0.67 0.13 -1.64 -1.57 132.00 132.79 1kfg h PRO 172 Ca 0.13 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.16 1kfg h PRO 172 Cb 0.92 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1kfg h PRO 172 CO 0.38 0.09 -0.16 1.15 -0.23 0.00 0.00 178.00 179.24 1kfg h THR 173 N 0.15 1.29 -0.45 1.56 2.02 -1.91 -1.21 112.91 114.36 1kfg h THR 173 Ca 0.17 -1.26 -0.11 0.00 0.77 0.00 0.00 66.41 65.98 1kfg h THR 173 Cb 0.50 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1kfg h THR 173 CO -0.02 0.40 -0.16 0.22 0.37 0.00 0.00 175.52 176.33 1kfg h TYR 174 N 0.39 0.96 -0.72 3.16 -0.00 -1.77 -0.40 116.97 118.59 1kfg h TYR 174 Ca 0.07 -0.20 0.03 0.00 -0.00 0.00 0.00 58.73 58.62 1kfg h TYR 174 Cb 0.68 -0.24 -0.04 0.00 -0.00 0.00 0.00 36.73 37.13 1kfg h TYR 174 CO 0.06 0.95 0.45 0.00 -0.00 0.00 0.00 178.16 179.62 1kfg h ALA 175 N 1.05 0.94 -0.60 1.82 0.00 -1.15 0.14 119.26 121.46 1kfg h ALA 175 Ca 0.11 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1kfg h ALA 175 Cb 0.68 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1kfg h ALA 175 CO 0.05 0.24 0.02 0.93 0.00 0.00 0.00 179.25 180.49 1kfg h GLU 176 N 0.88 1.03 -0.06 0.00 4.39 -0.80 -1.06 114.58 118.97 1kfg h GLU 176 Ca 0.29 -0.31 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1kfg h GLU 176 Cb 0.01 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1kfg h GLU 176 CO -0.11 1.00 0.01 -0.22 -1.16 0.00 0.00 179.01 178.53 1kfg h LYS 177 N 0.95 0.04 -0.71 2.33 1.63 0.05 -0.37 116.57 120.49 1kfg h LYS 177 Ca 0.17 -0.00 0.04 0.00 -0.85 0.00 0.00 60.65 60.02 1kfg h LYS 177 Cb 0.52 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.09 1kfg h LYS 177 CO 0.03 0.03 0.43 0.00 -3.45 0.00 0.00 179.45 176.48 1kfg h ILE 179 N 0.81 1.19 -0.39 0.00 2.04 -0.76 0.17 117.51 120.57 1kfg h ILE 179 Ca 0.30 -0.54 0.06 0.00 1.00 0.00 0.00 64.86 65.68 1kfg h ILE 179 Cb 0.09 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 1kfg h ILE 179 CO -0.14 0.21 0.05 0.28 0.00 0.00 0.00 178.15 178.55 1kfg h SER 180 N 0.63 -0.04 0.06 1.72 0.02 -0.65 0.93 113.55 116.22 1kfg h SER 180 Ca 0.16 0.07 -0.17 0.00 -0.84 0.00 0.00 61.79 61.01 1kfg h SER 180 Cb 0.12 0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 1kfg h SER 180 CO -0.02 0.01 -0.62 0.45 -1.14 0.00 0.00 176.83 175.52 1kfg h HIS 181 N 0.17 0.70 -0.53 3.45 3.86 -1.25 -2.85 115.15 118.70 1kfg h HIS 181 Ca 0.19 -0.27 0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1kfg h HIS 181 Cb 0.24 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 1kfg h HIS 181 CO -0.22 1.02 0.33 0.00 0.86 0.00 0.00 177.93 179.92 1kfg h ALA 182 N 0.92 0.68 -0.96 2.45 0.00 -0.02 -1.79 119.26 120.54 1kfg h ALA 182 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1kfg h ALA 182 Cb 1.18 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1kfg h ALA 182 CO 0.11 0.06 0.60 0.87 0.00 0.00 0.00 179.25 180.90 1kfg h LYS 183 N 0.67 1.29 -0.29 0.00 1.57 -0.76 -0.76 116.57 118.28 1kfg h LYS 183 Ca 0.21 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1kfg h LYS 183 Cb -0.02 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.01 1kfg h LYS 183 CO -0.07 0.88 -0.16 -0.97 -0.57 0.00 0.00 179.45 178.55 1kfg h ASN 184 N 1.31 0.64 -0.45 0.86 -0.73 -1.20 -1.73 115.58 114.29 1kfg h ASN 184 Ca 0.35 -0.42 -0.12 0.00 1.87 0.00 0.00 56.30 57.98 1kfg h ASN 184 Cb -0.10 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.30 1kfg h ASN 184 CO -0.07 0.92 -0.16 -0.07 -0.37 0.00 0.00 177.43 177.68 1kfg h LEU 185 N 0.36 0.95 -0.54 0.34 3.38 -1.17 -1.33 115.31 117.30 1kfg h LEU 185 Ca 0.06 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1kfg h LEU 185 Cb 0.69 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1kfg h LEU 185 CO 0.05 1.10 0.13 0.15 0.09 0.00 0.00 178.44 179.95 1kfg h PHE 186 N 0.83 0.91 -0.46 1.13 3.57 -1.13 -1.02 116.94 120.77 1kfg h PHE 186 Ca 0.12 -0.11 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1kfg h PHE 186 Cb 0.71 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 1kfg h PHE 186 CO 0.04 0.79 0.23 0.22 -2.23 0.00 0.00 178.31 177.37 1kfg h ASP 187 N 0.76 0.34 -0.32 0.41 3.58 -1.07 0.35 116.42 120.47 1kfg h ASP 187 Ca 0.17 0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.69 1kfg h ASP 187 Cb 0.34 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.31 1kfg h ASP 187 CO 0.00 0.24 0.05 0.24 -2.88 0.00 0.00 179.24 176.90 1kfg h MET 188 N 0.47 0.16 -0.43 0.28 2.86 -0.83 -0.82 114.93 116.62 1kfg h MET 188 Ca 0.20 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.78 1kfg h MET 188 Cb 0.11 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1kfg h MET 188 CO -0.14 0.11 0.05 0.00 1.06 0.00 0.00 176.91 177.99 1kfg h ALA 189 N 1.24 0.57 -0.51 6.32 0.00 -0.38 -2.40 119.26 124.11 1kfg h ALA 189 Ca 0.15 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1kfg h ALA 189 Cb 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1kfg h ALA 189 CO -0.21 0.31 -0.13 0.22 0.00 0.00 0.00 179.25 179.43 1kfg h ASP 190 N 0.57 0.97 -0.06 0.00 3.58 -0.16 -1.08 116.42 120.24 1kfg h ASP 190 Ca 0.13 -0.32 -0.17 0.00 0.42 0.00 0.00 57.03 57.09 1kfg h ASP 190 Cb 0.40 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.18 1kfg h ASP 190 CO 0.01 1.10 -0.54 0.11 -2.88 0.00 0.00 179.24 177.04 1kfg h LYS 191 N 0.85 0.65 0.23 0.28 1.57 -1.12 -3.34 116.57 115.70 1kfg h LYS 191 Ca 0.13 -0.40 -0.30 0.00 -1.87 0.00 0.00 60.65 58.21 1kfg h LYS 191 Cb 0.68 0.05 0.04 0.00 0.08 0.00 0.00 32.23 33.07 1kfg h LYS 191 CO 0.05 1.02 -1.31 0.00 -0.57 0.00 0.00 179.45 178.64 1kfg h ALA 192 N 0.90 -0.15 -6.77 3.86 0.00 -1.37 -3.48 119.26 112.25 1kfg h ALA 192 Ca 0.01 -0.82 -0.56 0.00 0.00 0.00 0.00 54.91 53.55 1kfg h ALA 192 Cb 1.10 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 1kfg h ALA 192 CO 0.11 0.61 -0.96 1.63 0.00 0.00 0.00 179.25 180.64 1kfg n LYS 193 N -3.83 -1.44 -3.57 0.00 5.02 -0.42 -4.95 118.16 108.98 1kfg n LYS 193 Ca -0.16 0.22 -0.14 0.00 -2.02 0.00 0.00 58.31 56.21 1kfg n LYS 193 Cb 1.03 -3.64 -0.06 0.00 -0.02 0.00 0.00 35.03 32.34 1kfg n LYS 193 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1kfg s SER 194 N -4.04 -0.57 -0.05 4.39 0.15 -1.26 -5.02 113.70 107.31 1kfg s SER 194 Ca 0.19 0.76 0.13 0.00 0.70 0.00 0.00 55.95 57.73 1kfg s SER 194 Cb -0.09 0.65 0.40 0.00 -1.71 0.00 0.00 66.02 65.27 1kfg s SER 194 CO 0.94 -0.43 1.33 0.47 1.20 0.00 0.00 173.24 176.75 1kfg n ASP 195 N 1.27 3.32 -0.24 5.45 8.00 -1.26 -0.80 116.55 132.28 1kfg n ASP 195 Ca -0.15 -2.26 0.25 0.00 0.71 0.00 0.00 54.79 53.34 1kfg n ASP 195 Cb 0.57 -0.34 0.63 0.00 -0.02 0.00 0.00 41.12 41.96 1kfg n ASP 195 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kfg h ALA 196 N 2.22 2.58 -0.02 2.24 0.00 -1.95 -0.47 119.26 123.86 1kfg h ALA 196 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kfg h ALA 196 Cb 0.95 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1kfg h ALA 196 CO 0.07 -0.87 -0.03 0.41 0.00 0.00 0.00 179.25 178.82 1kfg n GLY 197 N -1.62 0.53 3.44 0.00 0.00 0.27 -4.69 105.19 103.11 1kfg n GLY 197 Ca 0.21 -0.59 -0.44 0.00 0.00 0.00 0.00 46.02 45.20 1kfg n GLY 197 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1kfg s TYR 198 N -2.04 3.25 0.00 1.61 5.04 -0.18 -4.73 117.35 120.30 1kfg s TYR 198 Ca 0.31 -1.58 0.00 0.00 -2.44 0.00 0.00 57.07 53.36 1kfg s TYR 198 Cb 0.20 -4.24 0.00 0.00 0.35 0.00 0.00 41.96 38.27 1kfg s TYR 198 CO 0.33 -1.42 0.00 0.25 -1.34 0.00 0.00 175.55 173.37 1kfg n THR 199 N 5.19 0.00 0.31 4.34 -2.24 -1.26 -4.77 114.28 115.85 1kfg n THR 199 Ca 0.25 -0.01 0.16 0.00 -2.27 0.00 0.00 64.05 62.17 1kfg n THR 199 Cb 0.48 0.44 0.70 0.00 -2.10 0.00 0.00 70.33 69.85 1kfg n THR 199 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kfg h ALA 200 N 0.00 1.00 -0.47 6.98 0.00 -2.00 -2.24 119.26 122.53 1kfg h ALA 200 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kfg h ALA 200 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1kfg h ALA 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1kfg n ALA 201 N -1.94 2.43 -1.67 0.00 0.00 -1.26 -4.73 120.51 113.33 1kfg n ALA 201 Ca 0.00 -0.87 -0.46 0.00 0.00 0.00 0.00 53.44 52.11 1kfg n ALA 201 Cb 0.20 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 1kfg n ALA 201 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1kfg n SER 202 N 0.97 3.26 0.00 0.00 3.41 -0.84 -0.62 113.62 119.80 1kfg n SER 202 Ca 0.17 1.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.84 1kfg n SER 202 Cb 0.43 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 1kfg n SER 202 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kfg n GLY 203 N 3.67 1.58 1.03 5.00 0.00 -1.26 -4.83 105.19 110.38 1kfg n GLY 203 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.20 1kfg n GLY 203 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1kfg n TYR 204 N -2.00 0.00 -2.66 1.61 4.02 0.21 -4.93 117.16 113.41 1kfg n TYR 204 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 1kfg n TYR 204 Cb 0.00 -0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.35 1kfg n TYR 204 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1kfg n TYR 205 N -3.38 1.54 -1.84 -0.72 4.01 -0.01 -5.09 117.16 111.67 1kfg n TYR 205 Ca -0.00 -2.54 -0.41 0.00 -0.16 0.00 0.00 57.90 54.78 1kfg n TYR 205 Cb 0.13 -0.29 -0.01 0.00 -0.31 0.00 0.00 39.34 38.86 1kfg n TYR 205 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1kfg s SER 206 N -3.45 6.41 0.01 7.72 0.01 -1.22 -4.87 113.70 118.31 1kfg s SER 206 Ca 0.31 2.96 -0.23 0.00 1.31 0.00 0.00 55.95 60.30 1kfg s SER 206 Cb 0.40 -2.65 -0.05 0.00 0.21 0.00 0.00 66.02 63.92 1kfg s SER 206 CO -0.01 -0.84 0.70 -0.55 0.41 0.00 0.00 173.24 172.95 1kfg s SER 207 N 0.02 7.09 0.00 2.44 0.15 -1.26 -4.97 113.70 117.17 1kfg s SER 207 Ca 0.56 1.30 0.13 0.00 0.70 0.00 0.00 55.95 58.64 1kfg s SER 207 Cb -0.46 -2.42 0.25 0.00 -1.71 0.00 0.00 66.02 61.68 1kfg s SER 207 CO 0.57 0.02 1.14 -1.54 1.20 0.00 0.00 173.24 174.62 1kfg n SER 208 N 2.98 2.68 -3.60 5.45 3.41 -1.26 -5.00 113.62 118.27 1kfg n SER 208 Ca -0.04 -1.81 -0.09 0.00 -0.26 0.00 0.00 58.87 56.67 1kfg n SER 208 Cb 0.51 -0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 64.24 1kfg n SER 208 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1kfg s SER 209 N -1.05 -0.36 0.00 4.04 1.04 -1.26 -5.07 113.70 111.04 1kfg s SER 209 Ca 0.22 0.49 0.00 0.00 0.48 0.00 0.00 55.95 57.15 1kfg s SER 209 Cb 0.13 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1kfg s SER 209 CO 0.18 -0.26 0.00 2.22 0.98 0.00 0.00 173.24 176.36 1kfg n PHE 210 N 1.15 0.00 0.20 5.02 1.16 -1.26 -4.74 117.46 118.99 1kfg n PHE 210 Ca -0.10 0.00 0.06 0.00 -1.87 0.00 0.00 57.45 55.54 1kfg n PHE 210 Cb 0.57 0.00 0.43 0.00 -1.61 0.00 0.00 39.48 38.87 1kfg n PHE 210 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 1kfg h TYR 211 N 0.00 0.00 -0.30 2.97 -1.99 -1.95 -0.20 116.97 115.50 1kfg h TYR 211 Ca 0.00 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.64 1kfg h TYR 211 Cb 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.72 1kfg h TYR 211 CO 0.00 0.32 -0.17 0.38 -0.00 0.00 0.00 178.16 178.69 1kfg h ASP 212 N 0.00 0.67 -0.40 3.88 2.03 -1.92 -2.10 116.42 118.58 1kfg h ASP 212 Ca -0.00 -0.42 -0.07 0.00 -0.73 0.00 0.00 57.03 55.81 1kfg h ASP 212 Cb 0.71 -0.19 -0.02 0.00 -0.83 0.00 0.00 39.33 39.00 1kfg h ASP 212 CO 0.04 0.95 0.03 0.44 -1.03 0.00 0.00 179.24 179.67 1kfg h ASP 213 N 0.40 0.74 -0.21 4.15 5.19 -1.70 -1.08 116.42 123.92 1kfg h ASP 213 Ca 0.06 -0.17 -0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1kfg h ASP 213 Cb 0.71 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 1kfg h ASP 213 CO 0.05 0.79 0.12 -0.07 -3.12 0.00 0.00 179.24 177.01 1kfg h LEU 214 N 0.74 0.25 -0.29 1.55 3.38 -0.88 0.72 115.31 120.78 1kfg h LEU 214 Ca 0.15 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1kfg h LEU 214 Cb 0.41 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1kfg h LEU 214 CO 0.01 0.24 0.12 0.28 0.09 0.00 0.00 178.44 179.18 1kfg h SER 215 N 0.24 0.41 -0.44 -0.43 0.02 -1.12 -0.11 113.55 112.11 1kfg h SER 215 Ca 0.07 -0.17 0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1kfg h SER 215 Cb 0.04 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 1kfg h SER 215 CO -0.01 0.46 0.24 -0.25 -1.14 0.00 0.00 176.83 176.13 1kfg h TRP 216 N 0.32 0.45 -0.20 3.45 2.91 -1.09 0.62 115.95 122.42 1kfg h TRP 216 Ca 0.10 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.10 1kfg h TRP 216 Cb 0.19 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 28.69 1kfg h TRP 216 CO -0.01 0.25 -0.01 0.00 -1.03 0.00 0.00 178.44 177.64 1kfg h ALA 217 N 1.21 0.27 -0.91 2.65 0.00 -0.76 -2.40 119.26 119.32 1kfg h ALA 217 Ca 0.18 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1kfg h ALA 217 Cb 0.05 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1kfg h ALA 217 CO -0.10 0.00 0.58 0.00 0.00 0.00 0.00 179.25 179.73 1kfg h ALA 218 N 0.78 1.21 -0.45 0.00 0.00 -0.66 0.19 119.26 120.33 1kfg h ALA 218 Ca 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1kfg h ALA 218 Cb 0.41 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1kfg h ALA 218 CO 0.01 0.42 0.26 0.28 0.00 0.00 0.00 179.25 180.22 1kfg h VAL 219 N 1.12 1.15 -0.20 0.00 2.07 -0.73 -0.36 116.25 119.30 1kfg h VAL 219 Ca 0.37 -0.37 -0.14 0.00 0.82 0.00 0.00 66.70 67.37 1kfg h VAL 219 Cb 0.05 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1kfg h VAL 219 CO -0.13 0.16 -0.47 -0.50 0.02 0.00 0.00 177.57 176.65 1kfg h TRP 220 N 0.59 0.63 -0.37 1.57 4.06 -0.88 -1.92 115.95 119.64 1kfg h TRP 220 Ca 0.16 -0.20 -0.07 0.00 2.06 0.00 0.00 58.89 60.84 1kfg h TRP 220 Cb 0.03 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 28.04 1kfg h TRP 220 CO -0.03 0.89 -0.06 -0.07 -3.56 0.00 0.00 178.44 175.61 1kfg h LEU 221 N 0.42 0.59 -0.35 -4.49 3.38 -0.36 -0.18 115.31 114.33 1kfg h LEU 221 Ca 0.02 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1kfg h LEU 221 Cb 0.98 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1kfg h LEU 221 CO 0.09 0.71 0.07 0.22 0.09 0.00 0.00 178.44 179.61 1kfg h TYR 222 N 0.58 0.60 -0.30 1.13 3.20 -0.79 0.16 116.97 121.53 1kfg h TYR 222 Ca 0.11 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 1kfg h TYR 222 Cb 0.46 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1kfg h TYR 222 CO 0.02 0.62 -0.08 -0.07 -1.64 0.00 0.00 178.16 177.01 1kfg h LEU 223 N 0.41 0.48 -0.10 2.82 3.38 -0.97 0.63 115.31 121.96 1kfg h LEU 223 Ca 0.11 -0.11 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1kfg h LEU 223 Cb 0.33 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1kfg h LEU 223 CO 0.00 0.60 -1.02 0.00 0.09 0.00 0.00 178.44 178.11 1kfg h ALA 224 N 1.45 0.30 0.00 1.53 0.00 -0.77 -3.39 119.26 118.39 1kfg h ALA 224 Ca 0.09 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 1kfg h ALA 224 Cb 0.43 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1kfg h ALA 224 CO 0.02 0.87 -1.64 0.25 0.00 0.00 0.00 179.25 178.75 1kfg n THR 225 N -3.68 0.04 -1.32 0.00 -2.24 0.52 -4.91 114.28 102.69 1kfg n THR 225 Ca -0.07 -0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 61.28 1kfg n THR 225 Cb 0.89 0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 69.21 1kfg n THR 225 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1kfg n ASN 226 N -2.00 -4.89 -4.48 3.42 3.02 0.22 -4.95 115.26 105.60 1kfg n ASN 226 Ca -0.03 0.27 -0.43 0.00 -0.03 0.00 0.00 54.58 54.36 1kfg n ASN 226 Cb 0.39 -3.36 -0.06 0.00 -0.61 0.00 0.00 39.78 36.13 1kfg n ASN 226 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1kfg s ASP 227 N -2.62 6.27 0.64 6.41 3.68 -1.26 -4.92 116.67 124.87 1kfg s ASP 227 Ca 0.00 -0.64 0.23 0.00 2.13 0.00 0.00 52.55 54.27 1kfg s ASP 227 Cb 0.00 -2.32 1.18 0.00 -1.45 0.00 0.00 42.92 40.33 1kfg s ASP 227 CO 0.00 -0.90 1.66 0.28 0.13 0.00 0.00 175.17 176.35 1kfg h SER 228 N 9.00 0.00 -0.88 -0.34 0.02 -1.92 -1.40 113.55 118.02 1kfg h SER 228 Ca -0.27 0.00 0.14 0.00 -0.84 0.00 0.00 61.79 60.83 1kfg h SER 228 Cb 1.09 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.54 1kfg h SER 228 CO 0.95 0.00 0.49 0.74 -1.14 0.00 0.00 176.83 177.87 1kfg h THR 229 N 0.00 0.77 -0.10 -2.27 2.02 -2.00 -1.77 112.91 109.56 1kfg h THR 229 Ca 0.09 -0.24 -0.17 0.00 0.77 0.00 0.00 66.41 66.86 1kfg h THR 229 Cb 1.27 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1kfg h THR 229 CO -0.00 0.13 -0.66 1.88 0.37 0.00 0.00 175.52 177.24 1kfg h TYR 230 N 0.71 0.54 -0.49 3.16 0.05 -1.56 -2.48 116.97 116.90 1kfg h TYR 230 Ca 0.47 -0.22 -0.07 0.00 0.05 0.00 0.00 58.73 58.96 1kfg h TYR 230 Cb 0.62 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.26 1kfg h TYR 230 CO -0.07 0.95 0.02 1.25 -1.05 0.00 0.00 178.16 179.26 1kfg h LEU 231 N 0.30 0.83 -0.61 3.88 5.85 -1.50 -0.09 115.31 123.96 1kfg h LEU 231 Ca -0.02 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.42 1kfg h LEU 231 Cb 1.21 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 1kfg h LEU 231 CO 0.11 0.92 0.40 0.44 -0.34 0.00 0.00 178.44 179.97 1kfg h ASP 232 N 0.71 0.69 -0.13 1.25 3.32 -1.32 -1.76 116.42 119.19 1kfg h ASP 232 Ca 0.14 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1kfg h ASP 232 Cb 0.48 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1kfg h ASP 232 CO 0.02 0.50 0.08 0.11 -1.72 0.00 0.00 179.24 178.23 1kfg h LYS 233 N 0.82 0.18 -0.62 3.56 1.57 -1.13 -1.05 116.57 119.89 1kfg h LYS 233 Ca 0.22 -0.02 0.13 0.00 -1.87 0.00 0.00 60.65 59.12 1kfg h LYS 233 Cb -0.09 -0.04 -0.10 0.00 0.08 0.00 0.00 32.23 32.08 1kfg h LYS 233 CO -0.05 0.17 0.01 0.00 -0.57 0.00 0.00 179.45 179.01 1kfg h ALA 234 N 1.00 0.63 -0.08 3.86 0.00 -0.57 -0.57 119.26 123.53 1kfg h ALA 234 Ca 0.05 0.19 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1kfg h ALA 234 Cb 0.04 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1kfg h ALA 234 CO -0.01 -0.39 -0.53 0.93 0.00 0.00 0.00 179.25 179.25 1kfg h GLU 235 N 0.13 0.22 0.00 0.00 5.08 -1.15 -3.18 114.58 115.68 1kfg h GLU 235 Ca 0.33 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1kfg h GLU 235 Cb 0.53 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1kfg h GLU 235 CO -0.53 0.70 -0.05 0.66 -1.00 0.00 0.00 179.01 178.79 1kfg h SER 236 N 0.17 0.00 1.02 1.42 4.64 0.26 -2.52 113.55 118.53 1kfg h SER 236 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kfg h SER 236 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1kfg h SER 236 CO 0.08 0.05 -0.20 -1.22 -0.87 0.00 0.00 176.83 174.67 1kfg n TYR 237 N -3.98 0.36 -0.29 4.77 4.01 -1.09 -4.28 117.16 116.66 1kfg n TYR 237 Ca -0.03 0.10 0.04 0.00 -0.16 0.00 0.00 57.90 57.86 1kfg n TYR 237 Cb 0.14 -0.61 0.18 0.00 -0.31 0.00 0.00 39.34 38.74 1kfg n TYR 237 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1kfg h VAL 238 N 0.00 0.85 0.00 -0.72 3.04 -1.58 0.45 116.25 118.28 1kfg h VAL 238 Ca 0.00 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 1kfg h VAL 238 Cb 0.61 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.95 1kfg h VAL 238 CO 0.00 0.13 0.00 -0.81 -1.01 0.00 0.00 177.57 175.88 1kfg n PRO 239 N -4.79 0.11 0.00 4.17 -0.04 -1.26 -1.61 135.00 131.58 1kfg n PRO 239 Ca 0.15 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 1kfg n PRO 239 Cb 0.33 -1.75 0.26 0.00 -0.04 0.00 0.00 33.50 32.31 1kfg n PRO 239 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1kfg n ASN 240 N -1.96 0.93 -4.77 3.54 3.02 0.13 -4.92 115.26 111.24 1kfg n ASN 240 Ca 0.02 -0.74 -0.34 0.00 -0.03 0.00 0.00 54.58 53.49 1kfg n ASN 240 Cb 0.16 0.27 0.03 0.00 -0.61 0.00 0.00 39.78 39.63 1kfg n ASN 240 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1kfg s TRP 241 N -2.70 2.56 0.56 3.10 0.51 -0.63 -4.88 118.94 117.46 1kfg s TRP 241 Ca 0.18 1.55 -0.21 0.00 -2.12 0.00 0.00 56.10 55.50 1kfg s TRP 241 Cb 0.18 -3.28 -0.04 0.00 -0.81 0.00 0.00 33.47 29.52 1kfg s TRP 241 CO 0.61 -1.79 1.33 0.20 -0.51 0.00 0.00 176.95 176.79 1kfg s GLY 242 N -2.12 2.87 0.39 0.98 0.00 -1.26 -4.89 107.32 103.28 1kfg s GLY 242 Ca 0.71 1.28 0.08 0.00 0.00 0.00 0.00 44.72 46.78 1kfg s GLY 242 CO 0.35 1.77 0.17 0.54 0.00 0.00 0.00 173.10 175.93 1kfg s LYS 243 N -3.00 2.27 0.16 2.90 1.02 -1.26 -1.59 119.74 120.25 1kfg s LYS 243 Ca 0.73 -1.73 -0.30 0.00 0.02 0.00 0.00 55.97 54.69 1kfg s LYS 243 Cb -0.39 -2.06 -0.07 0.00 -0.52 0.00 0.00 37.83 34.79 1kfg s LYS 243 CO 0.45 -0.03 1.07 -1.21 -0.92 0.00 0.00 175.35 174.71 1kfg s GLU 244 N -3.89 4.62 0.19 1.68 0.41 0.20 -4.49 118.70 117.42 1kfg s GLU 244 Ca 0.40 1.66 -0.31 0.00 -0.41 0.00 0.00 54.97 56.31 1kfg s GLU 244 Cb 0.01 -3.30 -0.16 0.00 -1.78 0.00 0.00 34.13 28.90 1kfg s GLU 244 CO 0.23 0.11 0.90 0.94 -0.49 0.00 0.00 175.26 176.94 1kfg n GLN 245 N 2.46 0.68 -1.13 1.61 7.27 -1.26 -1.69 117.38 125.32 1kfg n GLN 245 Ca 0.03 0.24 -0.04 0.00 0.07 0.00 0.00 57.00 57.29 1kfg n GLN 245 Cb 0.47 -1.54 -0.02 0.00 2.41 0.00 0.00 30.24 31.56 1kfg n GLN 245 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1kfg n GLN 246 N 1.22 -1.66 -4.27 3.69 -0.06 -1.26 -4.95 117.38 110.10 1kfg n GLN 246 Ca 0.15 0.61 -0.15 0.00 -2.00 0.00 0.00 57.00 55.62 1kfg n GLN 246 Cb 0.25 -4.93 -0.10 0.00 -4.06 0.00 0.00 30.24 21.39 1kfg n GLN 246 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 1kfg s THR 247 N -1.49 0.71 -0.25 1.69 -4.23 -0.68 -5.01 115.64 106.39 1kfg s THR 247 Ca 0.00 -1.99 0.14 0.00 -1.18 0.00 0.00 61.69 58.65 1kfg s THR 247 Cb 0.00 -2.25 0.80 0.00 1.34 0.00 0.00 72.50 72.39 1kfg s THR 247 CO 0.00 -0.37 1.74 0.47 -0.54 0.00 0.00 174.62 175.93 1kfg n ASP 248 N -0.31 5.56 -4.72 3.99 8.00 -1.26 -4.44 116.55 123.37 1kfg n ASP 248 Ca -0.05 -2.98 -0.39 0.00 0.71 0.00 0.00 54.79 52.08 1kfg n ASP 248 Cb 0.64 -0.69 -0.05 0.00 -0.02 0.00 0.00 41.12 41.00 1kfg n ASP 248 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1kfg s ILE 249 N -2.81 5.05 0.21 0.53 1.01 -1.26 -4.94 121.20 118.99 1kfg s ILE 249 Ca 0.54 1.38 -0.32 0.00 0.00 0.00 0.00 60.65 62.25 1kfg s ILE 249 Cb 0.42 -4.01 -0.13 0.00 0.01 0.00 0.00 42.46 38.75 1kfg s ILE 249 CO 0.15 0.27 1.56 -0.38 0.00 0.00 0.00 174.94 176.54 1kfg n ILE 250 N 3.70 0.41 -1.53 2.92 5.41 -1.26 0.58 119.36 129.59 1kfg n ILE 250 Ca -0.02 -0.10 -0.48 0.00 1.00 0.00 0.00 62.75 63.14 1kfg n ILE 250 Cb 0.51 -1.66 -0.03 0.00 -0.71 0.00 0.00 39.64 37.74 1kfg n ILE 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1kfg n ALA 251 N 2.92 -1.42 -1.09 -1.39 0.00 -0.62 -4.52 120.51 114.39 1kfg n ALA 251 Ca 0.14 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1kfg n ALA 251 Cb 0.32 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1kfg n ALA 251 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1kfg n TYR 252 N 0.78 0.00 0.16 0.00 4.11 -1.26 -4.89 117.16 116.05 1kfg n TYR 252 Ca 0.15 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 58.14 1kfg n TYR 252 Cb 0.25 0.01 0.26 0.00 -0.00 0.00 0.00 39.34 39.86 1kfg n TYR 252 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1kfg n LYS 253 N 0.00 2.35 0.00 -3.48 5.02 -1.26 -4.27 118.16 116.51 1kfg n LYS 253 Ca 0.00 -2.09 0.00 0.00 -2.02 0.00 0.00 58.31 54.20 1kfg n LYS 253 Cb 0.30 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1kfg n LYS 253 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1kfg n TRP 254 N 1.21 0.00 -3.82 2.13 -0.00 -1.26 -5.03 117.44 110.67 1kfg n TRP 254 Ca 0.19 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.60 1kfg n TRP 254 Cb 0.49 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.76 1kfg n TRP 254 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 177.69 177.89 1kfg s GLY 255 N 0.00 0.05 0.18 5.87 0.00 -1.26 -5.04 107.32 107.12 1kfg s GLY 255 Ca 0.00 -0.39 -0.32 0.00 0.00 0.00 0.00 44.72 44.01 1kfg s GLY 255 CO 0.00 -0.32 1.72 -0.18 0.00 0.00 0.00 173.10 174.31 1kfg n GLN 256 N -0.37 2.63 -3.83 2.90 -0.06 -1.26 -4.81 117.38 112.59 1kfg n GLN 256 Ca -0.07 0.95 -0.07 0.00 -2.00 0.00 0.00 57.00 55.81 1kfg n GLN 256 Cb 0.62 -2.79 0.01 0.00 -4.06 0.00 0.00 30.24 24.02 1kfg n GLN 256 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1kfg h TRP 258 N 2.00 0.16 0.00 0.00 5.08 -1.94 -1.89 115.95 119.36 1kfg h TRP 258 Ca -0.28 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.70 1kfg h TRP 258 Cb 1.24 -0.05 0.00 0.00 -3.00 0.00 0.00 29.16 27.35 1kfg h TRP 258 CO 1.05 0.06 -1.14 -3.47 -1.28 0.00 0.00 178.44 173.67 1kfg n ASP 259 N -4.41 0.58 -3.52 0.11 4.64 -1.26 -4.80 116.55 107.89 1kfg n ASP 259 Ca 0.12 -0.11 -0.23 0.00 -1.38 0.00 0.00 54.79 53.18 1kfg n ASP 259 Cb 0.60 0.89 -0.14 0.00 -1.04 0.00 0.00 41.12 41.43 1kfg n ASP 259 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1kfg s ASP 260 N -4.20 2.28 -0.12 1.67 -1.08 -0.71 -4.52 116.67 109.99 1kfg s ASP 260 Ca 0.02 -0.71 0.14 0.00 -0.52 0.00 0.00 52.55 51.48 1kfg s ASP 260 Cb 0.14 0.04 0.42 0.00 -1.46 0.00 0.00 42.92 42.05 1kfg s ASP 260 CO 0.81 -0.37 1.33 1.33 0.52 0.00 0.00 175.17 178.78 1kfg n VAL 261 N 5.29 1.83 0.30 1.11 0.24 -1.25 -1.15 118.33 124.70 1kfg n VAL 261 Ca -0.05 -1.64 0.17 0.00 -2.04 0.00 0.00 64.34 60.77 1kfg n VAL 261 Cb 0.47 -0.01 0.68 0.00 -1.47 0.00 0.00 33.84 33.50 1kfg n VAL 261 CO 0.00 0.00 0.00 1.12 -2.14 0.00 0.00 176.83 175.81 1kfg h HIS 262 N 1.57 0.00 -0.06 6.34 2.07 -1.93 -1.99 115.15 121.14 1kfg h HIS 262 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 1kfg h HIS 262 Cb 1.16 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.13 1kfg h HIS 262 CO 0.35 0.00 -0.02 1.88 -3.07 0.00 0.00 177.93 177.07 1kfg h TYR 263 N 0.00 0.13 -0.41 6.12 -1.99 -1.93 -0.64 116.97 118.25 1kfg h TYR 263 Ca 0.00 -0.03 -0.11 0.00 2.00 0.00 0.00 58.73 60.59 1kfg h TYR 263 Cb 0.47 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 39.15 1kfg h TYR 263 CO 0.00 0.47 -0.17 0.78 -0.00 0.00 0.00 178.16 179.24 1kfg h GLY 264 N -0.24 0.85 0.95 3.88 0.00 -1.84 -2.16 103.07 104.51 1kfg h GLY 264 Ca 0.01 -0.69 -0.03 0.00 0.00 0.00 0.00 47.33 46.62 1kfg h GLY 264 CO 0.01 0.63 0.15 0.00 0.00 0.00 0.00 176.54 177.33 1kfg h ALA 265 N 1.11 0.58 -0.06 3.60 0.00 -1.29 -1.53 119.26 121.67 1kfg h ALA 265 Ca 0.11 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1kfg h ALA 265 Cb 0.67 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1kfg h ALA 265 CO 0.05 0.22 -0.52 1.05 0.00 0.00 0.00 179.25 180.05 1kfg h GLU 266 N 0.58 0.18 -0.03 0.00 4.11 -1.06 0.13 114.58 118.48 1kfg h GLU 266 Ca 0.14 -0.10 -0.00 0.00 0.07 0.00 0.00 59.36 59.47 1kfg h GLU 266 Cb 0.25 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1kfg h GLU 266 CO -0.01 0.66 0.01 1.25 0.07 0.00 0.00 179.01 180.99 1kfg h LEU 267 N 0.14 0.04 -0.63 3.06 6.46 -1.22 -0.69 115.31 122.46 1kfg h LEU 267 Ca 0.00 -0.19 -0.05 0.00 -0.12 0.00 0.00 57.88 57.52 1kfg h LEU 267 Cb 0.97 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.86 1kfg h LEU 267 CO 0.08 0.22 0.18 -0.07 -0.62 0.00 0.00 178.44 178.23 1kfg h LEU 268 N -0.14 0.94 -1.47 2.25 3.38 -1.06 -2.32 115.31 116.88 1kfg h LEU 268 Ca 0.01 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1kfg h LEU 268 Cb 0.19 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1kfg h LEU 268 CO -0.00 0.91 0.00 -0.07 0.09 0.00 0.00 178.44 179.37 1kfg h LEU 269 N 0.92 0.31 -0.21 1.67 3.38 -0.61 0.39 115.31 121.16 1kfg h LEU 269 Ca 0.20 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1kfg h LEU 269 Cb 0.31 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1kfg h LEU 269 CO -0.00 0.37 -0.00 0.00 0.09 0.00 0.00 178.44 178.90 1kfg h ALA 270 N 1.67 0.28 -0.49 1.53 0.00 -0.71 0.03 119.26 121.58 1kfg h ALA 270 Ca 0.08 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1kfg h ALA 270 Cb 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1kfg h ALA 270 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 179.25 180.13 1kfg h LYS 271 N 0.13 0.81 0.01 0.00 1.57 -0.90 0.43 116.57 118.61 1kfg h LYS 271 Ca 0.06 -0.22 -0.19 0.00 -1.87 0.00 0.00 60.65 58.43 1kfg h LYS 271 Cb 0.40 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1kfg h LYS 271 CO 0.01 0.81 -0.91 -0.07 -0.57 0.00 0.00 179.45 178.73 1kfg h LEU 272 N 0.75 0.05 0.00 2.94 3.38 -0.82 -3.38 115.31 118.23 1kfg h LEU 272 Ca 0.15 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1kfg h LEU 272 Cb 0.46 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1kfg h LEU 272 CO 0.02 0.93 -0.99 0.35 0.09 0.00 0.00 178.44 178.84 1kfg n THR 273 N -3.50 0.00 -1.33 0.22 -2.24 -0.01 -5.01 114.28 102.40 1kfg n THR 273 Ca -0.01 -0.12 -0.11 0.00 -2.27 0.00 0.00 64.05 61.53 1kfg n THR 273 Cb 0.85 0.52 -0.05 0.00 -2.10 0.00 0.00 70.33 69.55 1kfg n THR 273 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1kfg n ASN 274 N -1.52 -5.48 -4.76 3.42 5.15 0.15 -4.95 115.26 107.26 1kfg n ASN 274 Ca -0.00 0.28 -0.41 0.00 -0.60 0.00 0.00 54.58 53.86 1kfg n ASN 274 Cb 0.07 -3.99 -0.03 0.00 -0.53 0.00 0.00 39.78 35.29 1kfg n ASN 274 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1kfg s LYS 275 N -2.90 4.50 0.32 1.20 1.02 -1.26 -4.93 119.74 117.68 1kfg s LYS 275 Ca 0.00 1.99 0.03 0.00 0.02 0.00 0.00 55.97 58.01 1kfg s LYS 275 Cb 0.00 -3.14 0.61 0.00 -0.52 0.00 0.00 37.83 34.78 1kfg s LYS 275 CO 0.00 0.01 1.90 1.96 -0.92 0.00 0.00 175.35 178.29 1kfg h GLN 276 N 3.77 0.90 -0.36 1.68 1.08 -1.97 -2.65 115.11 117.57 1kfg h GLN 276 Ca -0.47 -0.05 0.08 0.00 -1.45 0.00 0.00 58.65 56.75 1kfg h GLN 276 Cb 1.22 -0.20 -0.08 0.00 -0.05 0.00 0.00 27.48 28.37 1kfg h GLN 276 CO 0.67 0.60 -0.15 1.25 -0.95 0.00 0.00 178.83 180.24 1kfg h LEU 277 N 0.93 -0.53 -0.40 1.46 6.46 -1.99 0.15 115.31 121.39 1kfg h LEU 277 Ca 0.41 0.13 -0.14 0.00 -0.12 0.00 0.00 57.88 58.16 1kfg h LEU 277 Cb 0.36 0.30 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 1kfg h LEU 277 CO -0.17 -0.19 -0.31 1.88 -0.62 0.00 0.00 178.44 179.03 1kfg h TYR 278 N -0.09 1.08 -0.46 1.25 0.05 -1.81 -1.98 116.97 115.02 1kfg h TYR 278 Ca 0.18 -0.30 -0.02 0.00 0.05 0.00 0.00 58.73 58.64 1kfg h TYR 278 Cb 0.36 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.85 1kfg h TYR 278 CO -0.38 1.12 0.22 0.87 -1.05 0.00 0.00 178.16 178.94 1kfg h LYS 279 N 0.73 0.67 -0.69 4.88 1.57 -1.13 -1.71 116.57 120.90 1kfg h LYS 279 Ca 0.07 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1kfg h LYS 279 Cb 0.90 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 1kfg h LYS 279 CO 0.08 0.57 0.31 -0.44 -0.57 0.00 0.00 179.45 179.40 1kfg h ASP 280 N 0.61 0.92 -0.15 0.86 3.32 -0.66 -1.94 116.42 119.37 1kfg h ASP 280 Ca 0.16 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1kfg h ASP 280 Cb 0.12 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1kfg h ASP 280 CO -0.02 0.81 0.03 0.28 -1.72 0.00 0.00 179.24 178.62 1kfg h SER 281 N 0.96 0.23 -0.08 6.45 0.02 -1.08 -0.46 113.55 119.58 1kfg h SER 281 Ca 0.23 -0.25 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 1kfg h SER 281 Cb 0.15 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1kfg h SER 281 CO -0.03 0.42 -0.39 -0.29 -1.14 0.00 0.00 176.83 175.41 1kfg h ILE 282 N 0.03 1.29 0.00 3.27 6.09 -1.31 -2.43 117.51 124.45 1kfg h ILE 282 Ca 0.04 -1.55 -0.08 0.00 -1.37 0.00 0.00 64.86 61.90 1kfg h ILE 282 Cb 0.29 1.51 -0.01 0.00 0.47 0.00 0.00 36.82 39.08 1kfg h ILE 282 CO 0.00 0.49 -0.40 -0.33 -3.07 0.00 0.00 178.15 174.85 1kfg h GLU 283 N 0.50 0.00 -0.44 2.19 5.08 -1.29 -0.40 114.58 120.22 1kfg h GLU 283 Ca 0.05 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 1kfg h GLU 283 Cb 0.89 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1kfg h GLU 283 CO 0.08 0.40 -0.27 1.98 -1.00 0.00 0.00 179.01 180.20 1kfg h MET 284 N 0.00 0.96 0.30 2.33 4.05 -0.76 0.21 114.93 122.01 1kfg h MET 284 Ca -0.00 -0.44 -0.01 0.00 -0.28 0.00 0.00 59.70 58.96 1kfg h MET 284 Cb 0.80 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.58 1kfg h MET 284 CO 0.05 1.11 -0.14 -0.97 0.23 0.00 0.00 176.91 177.19 1kfg h ASN 285 N 0.80 -0.34 -0.67 1.39 -0.00 -1.08 -0.89 115.58 114.80 1kfg h ASN 285 Ca 0.09 -0.10 -0.02 0.00 -0.00 0.00 0.00 56.30 56.26 1kfg h ASN 285 Cb 0.85 0.09 -0.03 0.00 -0.00 0.00 0.00 38.32 39.23 1kfg h ASN 285 CO 0.08 -0.10 0.33 -0.07 -0.00 0.00 0.00 177.43 177.67 1kfg h LEU 286 N -0.57 0.88 -0.53 0.34 3.38 -1.02 -2.25 115.31 115.54 1kfg h LEU 286 Ca -0.04 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 1kfg h LEU 286 Cb 0.42 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1kfg h LEU 286 CO 0.07 0.75 0.04 0.44 0.09 0.00 0.00 178.44 179.83 1kfg h ASP 287 N 0.97 0.88 -0.72 -0.43 3.32 -0.50 -1.89 116.42 118.05 1kfg h ASP 287 Ca 0.24 -0.29 0.08 0.00 0.02 0.00 0.00 57.03 57.09 1kfg h ASP 287 Cb 0.10 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.37 1kfg h ASP 287 CO -0.03 0.95 0.47 0.15 -1.72 0.00 0.00 179.24 179.06 1kfg h PHE 288 N 0.78 0.69 -0.00 4.55 3.04 -0.75 1.14 116.94 126.39 1kfg h PHE 288 Ca 0.15 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.12 1kfg h PHE 288 Cb 0.47 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.76 1kfg h PHE 288 CO 0.04 0.34 -0.13 0.91 -2.02 0.00 0.00 178.31 177.44 1kfg n TRP 289 N -4.49 0.00 0.00 0.41 7.02 -0.88 -1.18 117.44 118.32 1kfg n TRP 289 Ca 0.11 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.59 1kfg n TRP 289 Cb 0.30 -0.42 0.00 0.00 -2.42 0.00 0.00 31.31 28.77 1kfg n TRP 289 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1kfg n THR 290 N -1.48 0.00 0.17 -0.99 -2.24 -0.38 -4.85 114.28 104.51 1kfg n THR 290 Ca 0.07 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.90 1kfg n THR 290 Cb 0.33 -0.18 0.16 0.00 -2.10 0.00 0.00 70.33 68.54 1kfg n THR 290 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1kfg h THR 291 N 0.00 0.75 0.00 4.28 1.35 -1.71 -3.49 112.91 114.09 1kfg h THR 291 Ca 0.00 -1.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 1kfg h THR 291 Cb 0.00 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1kfg h THR 291 CO 0.00 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 1kfg n GLY 292 N 0.89 1.35 3.43 5.82 0.00 0.38 -4.99 105.19 112.07 1kfg n GLY 292 Ca 0.01 -1.93 -0.14 0.00 0.00 0.00 0.00 46.02 43.96 1kfg n GLY 292 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kfg s VAL 293 N -2.34 0.01 -1.56 1.61 0.11 0.13 -4.44 120.40 113.93 1kfg s VAL 293 Ca 0.00 -0.05 -0.08 0.00 -2.93 0.00 0.00 61.98 58.92 1kfg s VAL 293 Cb 0.00 -0.76 0.07 0.00 -1.53 0.00 0.00 36.38 34.16 1kfg s VAL 293 CO 0.00 -0.03 0.53 0.59 -3.33 0.00 0.00 175.10 172.87 1kfg n ASN 294 N 2.44 -1.48 0.00 3.54 5.03 -1.26 -0.40 115.26 123.13 1kfg n ASN 294 Ca -0.15 -1.04 0.00 0.00 0.87 0.00 0.00 54.58 54.26 1kfg n ASN 294 Cb 0.56 -2.74 0.00 0.00 -1.02 0.00 0.00 39.78 36.58 1kfg n ASN 294 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1kfg n GLY 295 N -1.79 0.53 3.46 7.41 0.00 -1.26 -5.00 105.19 108.54 1kfg n GLY 295 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1kfg n GLY 295 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kfg s THR 296 N -2.50 2.66 -0.19 2.61 -4.23 0.47 -5.14 115.64 109.32 1kfg s THR 296 Ca 0.00 -1.59 -0.27 0.00 -1.18 0.00 0.00 61.69 58.65 1kfg s THR 296 Cb 0.00 -2.21 0.07 0.00 1.34 0.00 0.00 72.50 71.70 1kfg s THR 296 CO 0.00 0.09 0.73 -0.60 -0.54 0.00 0.00 174.62 174.30 1kfg s ARG 297 N -2.13 0.89 0.69 3.99 3.52 -1.26 0.22 118.95 124.88 1kfg s ARG 297 Ca 0.17 0.68 -0.16 0.00 -0.13 0.00 0.00 55.73 56.29 1kfg s ARG 297 Cb -0.10 0.43 0.02 0.00 -1.56 0.00 0.00 34.95 33.73 1kfg s ARG 297 CO 0.09 -0.18 1.25 0.54 -0.81 0.00 0.00 175.30 176.18 1kfg s VAL 298 N -0.24 2.18 0.51 7.11 0.11 -0.33 -4.95 120.40 124.80 1kfg s VAL 298 Ca -0.04 0.10 -0.21 0.00 -2.93 0.00 0.00 61.98 58.91 1kfg s VAL 298 Cb -0.03 -2.85 -0.06 0.00 -1.53 0.00 0.00 36.38 31.91 1kfg s VAL 298 CO 0.04 -0.04 1.14 -0.44 -3.33 0.00 0.00 175.10 172.48 1kfg s SER 299 N -1.72 5.88 0.02 3.54 0.01 -1.23 -4.86 113.70 115.34 1kfg s SER 299 Ca 0.78 2.23 0.07 0.00 1.31 0.00 0.00 55.95 60.34 1kfg s SER 299 Cb -0.33 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.29 1kfg s SER 299 CO 0.42 -1.11 -0.22 -0.31 0.41 0.00 0.00 173.24 172.44 1kfg s TYR 300 N -1.68 1.91 0.59 2.43 1.51 -1.26 0.38 117.35 121.23 1kfg s TYR 300 Ca 0.69 -0.37 -0.08 0.00 -1.01 0.00 0.00 57.07 56.30 1kfg s TYR 300 Cb -0.26 -1.18 -0.01 0.00 -0.11 0.00 0.00 41.96 40.40 1kfg s TYR 300 CO 0.30 0.04 0.95 0.95 -1.11 0.00 0.00 175.55 176.67 1kfg s THR 301 N -0.67 4.19 0.46 -0.71 -4.23 -0.13 -4.90 115.64 109.65 1kfg s THR 301 Ca 0.08 0.37 0.21 0.00 -1.18 0.00 0.00 61.69 61.16 1kfg s THR 301 Cb -0.09 -3.66 0.39 0.00 1.34 0.00 0.00 72.50 70.48 1kfg s THR 301 CO 0.01 -0.76 1.92 -0.65 -0.54 0.00 0.00 174.62 174.59 1kfg h PRO 302 N -0.21 0.25 -0.40 3.99 0.11 -1.89 -1.32 132.00 132.53 1kfg h PRO 302 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1kfg h PRO 302 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1kfg h PRO 302 CO 0.62 0.17 0.00 1.63 -0.21 0.00 0.00 178.00 180.21 1kfg n LYS 303 N -4.43 1.92 0.00 1.05 5.02 -1.26 -4.92 118.16 115.53 1kfg n LYS 303 Ca 0.15 -1.31 0.00 0.00 -2.02 0.00 0.00 58.31 55.13 1kfg n LYS 303 Cb 0.65 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 1kfg n LYS 303 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kfg n GLY 304 N 1.00 0.74 3.65 0.72 0.00 -0.50 -4.94 105.19 105.87 1kfg n GLY 304 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1kfg n GLY 304 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kfg s LEU 305 N 0.00 4.12 -0.32 0.99 2.96 -1.26 -4.80 118.68 120.36 1kfg s LEU 305 Ca 0.00 1.12 -0.29 0.00 -0.22 0.00 0.00 54.13 54.74 1kfg s LEU 305 Cb 0.00 -3.24 -0.01 0.00 0.50 0.00 0.00 46.19 43.44 1kfg s LEU 305 CO 0.00 -0.49 1.63 0.00 -1.32 0.00 0.00 176.35 176.17 1kfg s ALA 306 N 2.63 3.04 -0.35 5.97 0.00 -1.26 -0.96 121.76 130.83 1kfg s ALA 306 Ca 0.37 0.20 -0.09 0.00 0.00 0.00 0.00 51.96 52.44 1kfg s ALA 306 Cb -0.16 -3.94 0.03 0.00 0.00 0.00 0.00 23.12 19.05 1kfg s ALA 306 CO 0.09 -2.36 0.16 -0.46 0.00 0.00 0.00 175.76 173.18 1kfg s TRP 307 N 5.98 3.23 -0.13 0.00 -0.00 0.16 -4.49 118.94 123.69 1kfg s TRP 307 Ca 0.72 -1.09 -0.06 0.00 -0.00 0.00 0.00 56.10 55.68 1kfg s TRP 307 Cb -0.21 -2.36 -0.26 0.00 -0.00 0.00 0.00 33.47 30.65 1kfg s TRP 307 CO 0.32 -0.65 0.33 -0.11 -0.00 0.00 0.00 176.95 176.84 1kfg n LEU 308 N 4.92 2.64 -3.47 5.86 7.94 -1.26 -3.55 117.00 130.08 1kfg n LEU 308 Ca -0.12 0.19 -0.13 0.00 -1.11 0.00 0.00 56.01 54.83 1kfg n LEU 308 Cb 0.46 -1.09 -0.03 0.00 0.53 0.00 0.00 43.42 43.29 1kfg n LEU 308 CO 0.34 0.86 0.37 0.12 -1.11 0.00 0.00 177.39 177.97 1kfg s PHE 309 N -2.56 -0.52 0.32 1.96 5.36 -1.26 -4.98 117.98 116.31 1kfg s PHE 309 Ca -0.23 0.44 0.06 0.00 -0.96 0.00 0.00 56.93 56.24 1kfg s PHE 309 Cb 0.07 0.49 0.56 0.00 -0.34 0.00 0.00 43.02 43.79 1kfg s PHE 309 CO 0.76 -0.77 1.79 -0.56 -1.46 0.00 0.00 175.22 174.98 1kfg h GLN 310 N 2.28 0.35 -5.70 10.12 3.07 -1.96 -3.36 115.11 119.91 1kfg h GLN 310 Ca -0.32 -0.12 -0.60 0.00 0.09 0.00 0.00 58.65 57.70 1kfg h GLN 310 Cb 1.27 -0.03 -0.09 0.00 0.08 0.00 0.00 27.48 28.70 1kfg h GLN 310 CO 0.39 0.56 0.27 -1.58 0.09 0.00 0.00 178.83 178.57 1kfg s TRP 311 N -4.54 3.34 -1.16 0.06 0.52 -1.26 -4.34 118.94 111.56 1kfg s TRP 311 Ca -0.06 1.01 -0.11 0.00 0.02 0.00 0.00 56.10 56.96 1kfg s TRP 311 Cb 0.14 -2.91 -0.02 0.00 -1.15 0.00 0.00 33.47 29.53 1kfg s TRP 311 CO 0.77 -0.28 0.80 0.41 0.02 0.00 0.00 176.95 178.66 1kfg n GLY 312 N 3.82 -0.85 0.33 0.98 0.00 -1.25 -4.89 105.19 103.33 1kfg n GLY 312 Ca 0.02 0.40 -0.06 0.00 0.00 0.00 0.00 46.02 46.38 1kfg n GLY 312 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kfg h SER 313 N -1.67 1.03 -0.43 1.61 4.64 -1.49 -2.41 113.55 114.82 1kfg h SER 313 Ca -0.64 -0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 60.46 1kfg h SER 313 Cb 1.35 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 1kfg h SER 313 CO 0.49 0.89 -0.01 -0.07 -0.87 0.00 0.00 176.83 177.27 1kfg h LEU 314 N 1.10 0.81 -0.13 5.97 4.07 -1.34 -2.03 115.31 123.77 1kfg h LEU 314 Ca 0.26 -0.21 0.03 0.00 0.08 0.00 0.00 57.88 58.04 1kfg h LEU 314 Cb 0.15 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 1kfg h LEU 314 CO -0.03 0.88 -0.04 -0.09 -1.08 0.00 0.00 178.44 178.09 1kfg h ARG 315 N 0.78 -0.01 -0.14 1.13 1.12 -1.60 -0.87 114.38 114.79 1kfg h ARG 315 Ca 0.15 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 59.01 1kfg h ARG 315 Cb 0.48 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.44 1kfg h ARG 315 CO 0.02 -0.00 0.04 0.45 -3.11 0.00 0.00 179.97 177.37 1kfg h HIS 316 N -0.01 0.24 -0.34 2.20 3.86 -1.24 -1.88 115.15 117.99 1kfg h HIS 316 Ca 0.06 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1kfg h HIS 316 Cb 0.10 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1kfg h HIS 316 CO -0.17 0.37 0.20 0.00 0.86 0.00 0.00 177.93 179.19 1kfg h ALA 317 N 0.84 0.44 0.00 2.45 0.00 -1.29 -0.65 119.26 121.05 1kfg h ALA 317 Ca 0.05 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1kfg h ALA 317 Cb 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1kfg h ALA 317 CO 0.00 -0.05 -0.33 1.79 0.00 0.00 0.00 179.25 180.66 1kfg h THR 318 N 0.44 0.80 -0.05 0.00 1.35 -1.18 -0.29 112.91 113.97 1kfg h THR 318 Ca 0.12 -1.39 -0.13 0.00 -0.55 0.00 0.00 66.41 64.46 1kfg h THR 318 Cb 0.03 1.87 0.01 0.00 -1.73 0.00 0.00 68.15 68.33 1kfg h THR 318 CO -0.02 0.32 -0.46 0.74 -0.25 0.00 0.00 175.52 175.85 1kfg h THR 319 N 0.00 1.41 -0.27 6.82 2.02 -1.06 -2.45 112.91 119.38 1kfg h THR 319 Ca -0.00 -1.88 -0.04 0.00 0.77 0.00 0.00 66.41 65.26 1kfg h THR 319 Cb 0.84 2.39 -0.02 0.00 -1.74 0.00 0.00 68.15 69.63 1kfg h THR 319 CO 0.04 0.55 0.01 1.56 0.37 0.00 0.00 175.52 178.05 1kfg h GLN 320 N -0.07 0.40 -0.80 6.66 1.08 -1.01 -1.39 115.11 119.98 1kfg h GLN 320 Ca -0.04 -0.07 0.02 0.00 -1.45 0.00 0.00 58.65 57.11 1kfg h GLN 320 Cb 1.13 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 28.45 1kfg h GLN 320 CO 0.09 0.42 0.52 0.00 -0.95 0.00 0.00 178.83 178.92 1kfg h ALA 321 N 1.63 1.04 -0.17 3.87 0.00 -0.92 0.64 119.26 125.35 1kfg h ALA 321 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1kfg h ALA 321 Cb 0.25 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1kfg h ALA 321 CO 0.01 0.37 0.07 0.35 0.00 0.00 0.00 179.25 180.05 1kfg h PHE 322 N 1.04 0.25 -0.78 0.00 3.57 -0.79 -1.15 116.94 119.07 1kfg h PHE 322 Ca 0.31 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.75 1kfg h PHE 322 Cb -0.05 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 1kfg h PHE 322 CO -0.02 0.30 0.32 -0.07 -2.23 0.00 0.00 178.31 176.61 1kfg h LEU 323 N 0.13 1.07 -0.59 0.59 4.07 -1.03 -1.16 115.31 118.40 1kfg h LEU 323 Ca 0.06 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.86 1kfg h LEU 323 Cb 0.15 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.58 1kfg h LEU 323 CO -0.01 0.95 0.38 0.00 -1.08 0.00 0.00 178.44 178.69 1kfg h ALA 324 N 1.20 0.75 -0.44 1.53 0.00 -0.66 -0.87 119.26 120.79 1kfg h ALA 324 Ca 0.26 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1kfg h ALA 324 Cb 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1kfg h ALA 324 CO -0.02 0.20 0.23 0.78 0.00 0.00 0.00 179.25 180.44 1kfg h GLY 325 N 0.80 0.66 0.89 0.00 0.00 -0.62 0.80 103.07 105.60 1kfg h GLY 325 Ca 0.22 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 1kfg h GLY 325 CO -0.05 0.29 0.05 -2.08 0.00 0.00 0.00 176.54 174.76 1kfg h VAL 326 N 0.57 1.12 -0.61 4.60 2.07 -0.97 -2.81 116.25 120.22 1kfg h VAL 326 Ca 0.15 -0.35 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 1kfg h VAL 326 Cb 0.07 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1kfg h VAL 326 CO -0.02 0.11 0.08 0.22 0.02 0.00 0.00 177.57 177.97 1kfg h TYR 327 N 0.04 1.10 -0.44 1.57 5.03 -1.06 -2.88 116.97 120.31 1kfg h TYR 327 Ca 0.04 -0.16 0.07 0.00 2.58 0.00 0.00 58.73 61.26 1kfg h TYR 327 Cb 0.13 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 38.08 1kfg h TYR 327 CO -0.03 0.95 0.30 0.00 -1.32 0.00 0.00 178.16 178.06 1kfg h ALA 328 N 1.02 2.04 0.00 1.82 0.00 -0.75 -1.24 119.26 122.15 1kfg h ALA 328 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1kfg h ALA 328 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1kfg h ALA 328 CO 0.02 -0.13 0.00 0.93 0.00 0.00 0.00 179.25 180.07 1kfg h GLU 329 N 0.29 0.00 -6.62 0.00 5.08 -1.28 -3.46 114.58 108.60 1kfg h GLU 329 Ca 0.20 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 58.04 1kfg h GLU 329 Cb 0.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1kfg h GLU 329 CO -0.04 0.00 0.46 -0.46 -1.00 0.00 0.00 179.01 177.96 1kfg s TRP 330 N -3.18 3.63 0.62 4.33 -0.00 -0.47 -4.93 118.94 118.94 1kfg s TRP 330 Ca 0.09 1.62 0.33 0.00 -0.00 0.00 0.00 56.10 58.13 1kfg s TRP 330 Cb 0.10 -3.24 1.89 0.00 -0.00 0.00 0.00 33.47 32.21 1kfg s TRP 330 CO 0.60 -0.48 2.19 0.93 -0.00 0.00 0.00 176.95 180.19 1kfg h GLU 331 N 5.40 0.00 0.00 5.86 3.07 -1.88 -1.81 114.58 125.23 1kfg h GLU 331 Ca -0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 1kfg h GLU 331 Cb 1.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 1kfg h GLU 331 CO 0.73 0.00 -0.14 0.41 -1.40 0.00 0.00 179.01 178.62 1kfg n GLY 332 N -1.29 -1.43 3.75 -3.84 0.00 -1.26 -4.88 105.19 96.24 1kfg n GLY 332 Ca -0.01 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1kfg n GLY 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfg n THR 334 N 1.95 0.41 -0.29 0.00 -1.04 -1.26 -4.84 114.28 109.20 1kfg n THR 334 Ca 0.05 -0.10 0.09 0.00 -2.04 0.00 0.00 64.05 62.04 1kfg n THR 334 Cb 0.41 -1.53 0.21 0.00 -1.82 0.00 0.00 70.33 67.60 1kfg n THR 334 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1kfg h PRO 335 N 8.61 0.08 0.00 -2.82 0.11 -1.92 -0.49 132.00 135.57 1kfg h PRO 335 Ca -0.45 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1kfg h PRO 335 Cb 1.30 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1kfg h PRO 335 CO 0.96 0.05 -0.03 0.66 -0.21 0.00 0.00 178.00 179.44 1kfg h SER 336 N 0.08 0.00 0.53 -2.05 4.64 -2.04 -2.71 113.55 112.00 1kfg h SER 336 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1kfg h SER 336 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1kfg h SER 336 CO -0.76 0.03 -0.71 0.29 -0.87 0.00 0.00 176.83 174.81 1kfg n LYS 337 N -3.22 0.14 -0.07 4.77 5.02 -0.20 -4.35 118.16 120.26 1kfg n LYS 337 Ca -0.01 0.02 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 1kfg n LYS 337 Cb 0.20 -1.57 -0.01 0.00 -0.02 0.00 0.00 35.03 33.63 1kfg n LYS 337 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1kfg h VAL 338 N 0.00 0.54 -0.23 -0.18 2.07 -1.40 0.15 116.25 117.20 1kfg h VAL 338 Ca 0.00 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 1kfg h VAL 338 Cb 0.62 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1kfg h VAL 338 CO 0.00 0.00 -0.32 0.77 0.02 0.00 0.00 177.57 178.04 1kfg h SER 339 N -0.13 0.48 -0.07 0.57 4.64 -1.78 -1.18 113.55 116.09 1kfg h SER 339 Ca 0.15 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1kfg h SER 339 Cb 0.35 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1kfg h SER 339 CO -0.36 0.78 0.04 0.58 -0.87 0.00 0.00 176.83 177.00 1kfg h VAL 340 N 0.40 1.07 -0.64 0.95 2.07 -1.56 0.27 116.25 118.82 1kfg h VAL 340 Ca 0.05 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 1kfg h VAL 340 Cb 0.76 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1kfg h VAL 340 CO 0.06 0.06 0.12 1.88 0.02 0.00 0.00 177.57 179.71 1kfg h TYR 341 N 0.03 1.11 -0.13 1.57 0.05 -0.57 -2.13 116.97 116.90 1kfg h TYR 341 Ca 0.02 -0.15 -0.09 0.00 0.05 0.00 0.00 58.73 58.56 1kfg h TYR 341 Cb 0.07 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.49 1kfg h TYR 341 CO -0.05 0.94 -0.34 0.87 -1.05 0.00 0.00 178.16 178.52 1kfg h LYS 342 N 0.96 0.26 -0.41 4.88 1.57 -1.08 -1.31 116.57 121.45 1kfg h LYS 342 Ca 0.20 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.75 1kfg h LYS 342 Cb 0.42 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1kfg h LYS 342 CO 0.01 0.57 -0.24 -0.44 -0.57 0.00 0.00 179.45 178.78 1kfg h ASP 343 N 0.22 0.85 -0.23 0.86 3.32 -0.67 -2.33 116.42 118.44 1kfg h ASP 343 Ca 0.03 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 1kfg h ASP 343 Cb 0.72 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1kfg h ASP 343 CO 0.05 1.05 0.09 0.15 -1.72 0.00 0.00 179.24 178.87 1kfg h PHE 344 N 0.72 0.34 -0.31 4.55 3.57 -1.06 0.10 116.94 124.85 1kfg h PHE 344 Ca 0.09 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.63 1kfg h PHE 344 Cb 0.78 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.35 1kfg h PHE 344 CO 0.04 0.37 -0.10 1.25 -2.23 0.00 0.00 178.31 177.64 1kfg h LEU 345 N 0.22 -0.36 -0.35 0.59 5.85 -1.09 -0.50 115.31 119.67 1kfg h LEU 345 Ca 0.08 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1kfg h LEU 345 Cb 0.17 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1kfg h LEU 345 CO -0.01 -0.13 -0.06 0.50 -0.34 0.00 0.00 178.44 178.40 1kfg h LYS 346 N -0.03 0.66 -0.72 1.25 3.64 -1.19 -2.20 116.57 117.99 1kfg h LYS 346 Ca 0.16 -0.24 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 1kfg h LYS 346 Cb 0.27 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1kfg h LYS 346 CO -0.34 0.82 0.28 0.66 -2.27 0.00 0.00 179.45 178.60 1kfg h SER 347 N 0.46 0.99 -0.32 4.20 4.64 -0.45 0.14 113.55 123.20 1kfg h SER 347 Ca 0.09 -0.17 -0.14 0.00 -0.47 0.00 0.00 61.79 61.09 1kfg h SER 347 Cb 0.56 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1kfg h SER 347 CO 0.03 0.89 -0.36 1.56 -0.87 0.00 0.00 176.83 178.08 1kfg h GLN 348 N 1.03 0.81 -0.50 4.77 1.08 -1.10 -1.66 115.11 119.54 1kfg h GLN 348 Ca 0.24 -0.45 -0.09 0.00 -1.45 0.00 0.00 58.65 56.90 1kfg h GLN 348 Cb 0.21 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 1kfg h GLN 348 CO -0.02 1.08 -0.04 0.82 -0.95 0.00 0.00 178.83 179.72 1kfg h ILE 349 N 0.59 1.27 -0.16 2.54 1.08 -1.23 -2.58 117.51 119.01 1kfg h ILE 349 Ca 0.05 -1.15 -0.06 0.00 -0.39 0.00 0.00 64.86 63.31 1kfg h ILE 349 Cb 0.95 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.69 1kfg h ILE 349 CO 0.09 0.40 -0.15 0.44 -0.69 0.00 0.00 178.15 178.24 1kfg h ASP 350 N 0.77 0.25 -0.58 1.72 3.32 -0.66 -1.18 116.42 120.06 1kfg h ASP 350 Ca 0.14 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1kfg h ASP 350 Cb 0.58 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1kfg h ASP 350 CO 0.03 0.42 0.20 0.22 -1.72 0.00 0.00 179.24 178.39 1kfg h TYR 351 N 0.24 0.91 -0.35 4.55 5.03 -1.04 0.96 116.97 127.27 1kfg h TYR 351 Ca 0.05 -0.08 -0.08 0.00 2.58 0.00 0.00 58.73 61.19 1kfg h TYR 351 Cb 0.41 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 38.41 1kfg h TYR 351 CO 0.01 0.75 -0.11 0.00 -1.32 0.00 0.00 178.16 177.49 1kfg h ALA 352 N 1.06 1.14 0.00 1.82 0.00 -1.00 -3.23 119.26 119.05 1kfg h ALA 352 Ca 0.19 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1kfg h ALA 352 Cb 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1kfg h ALA 352 CO -0.01 0.54 -0.79 -0.07 0.00 0.00 0.00 179.25 178.92 1kfg h LEU 353 N 0.56 0.00 0.00 0.00 3.38 -0.90 -0.86 115.31 117.49 1kfg h LEU 353 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1kfg h LEU 353 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1kfg h LEU 353 CO 0.03 0.41 0.00 0.61 0.09 0.00 0.00 178.44 179.58 1kfg n GLY 354 N 1.26 -0.16 0.28 0.83 0.00 -0.02 -4.07 105.19 103.30 1kfg n GLY 354 Ca -0.02 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.19 1kfg n GLY 354 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kfg h SER 355 N 0.00 0.00 0.07 1.61 4.64 -1.05 -1.17 113.55 117.65 1kfg h SER 355 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kfg h SER 355 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1kfg h SER 355 CO 0.00 0.00 -0.07 0.35 -0.87 0.00 0.00 176.83 176.24 1kfg n THR 356 N -2.96 0.00 0.00 2.95 -2.24 -1.26 -4.90 114.28 105.87 1kfg n THR 356 Ca -0.00 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1kfg n THR 356 Cb 0.21 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1kfg n THR 356 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kfg n GLY 357 N 1.21 0.83 3.24 3.38 0.00 -0.44 -5.08 105.19 108.33 1kfg n GLY 357 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 1kfg n GLY 357 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1kfg s ARG 358 N -0.44 0.82 0.29 1.61 1.04 -1.24 -4.82 118.95 116.21 1kfg s ARG 358 Ca 0.00 -0.61 -0.14 0.00 -1.04 0.00 0.00 55.73 53.93 1kfg s ARG 358 Cb 0.00 0.35 -0.09 0.00 -2.04 0.00 0.00 34.95 33.18 1kfg s ARG 358 CO 0.00 -0.27 0.69 0.45 -0.04 0.00 0.00 175.30 176.14 1kfg s SER 359 N -2.26 6.76 -0.09 -2.89 0.15 0.68 -3.70 113.70 112.35 1kfg s SER 359 Ca -0.03 1.21 0.14 0.00 0.70 0.00 0.00 55.95 57.97 1kfg s SER 359 Cb 0.00 -2.34 0.43 0.00 -1.71 0.00 0.00 66.02 62.40 1kfg s SER 359 CO -0.05 -0.15 1.35 0.49 1.20 0.00 0.00 173.24 176.08 1kfg n PHE 360 N -0.21 0.75 -3.91 3.44 3.01 -0.33 -3.98 117.46 116.23 1kfg n PHE 360 Ca 0.02 -0.69 -0.35 0.00 1.01 0.00 0.00 57.45 57.44 1kfg n PHE 360 Cb 0.53 -0.18 -0.14 0.00 -0.01 0.00 0.00 39.48 39.68 1kfg n PHE 360 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1kfg s VAL 361 N -1.95 3.31 0.20 -4.37 1.01 -1.26 -2.07 120.40 115.28 1kfg s VAL 361 Ca 0.34 -0.55 -0.32 0.00 0.00 0.00 0.00 61.98 61.45 1kfg s VAL 361 Cb 0.24 -2.52 -0.14 0.00 0.00 0.00 0.00 36.38 33.96 1kfg s VAL 361 CO 0.13 0.40 1.46 0.52 0.00 0.00 0.00 175.10 177.61 1kfg n VAL 362 N 4.79 0.58 -1.63 2.92 0.31 -0.17 -2.10 118.33 123.02 1kfg n VAL 362 Ca -0.18 -0.14 -0.14 0.00 -0.01 0.00 0.00 64.34 63.86 1kfg n VAL 362 Cb 0.50 -1.45 -0.05 0.00 -0.91 0.00 0.00 33.84 31.94 1kfg n VAL 362 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1kfg n GLY 363 N 2.60 1.04 2.94 2.92 0.00 -1.26 -1.62 105.19 111.81 1kfg n GLY 363 Ca 0.14 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 1kfg n GLY 363 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1kfg s TYR 364 N -2.57 0.03 0.00 1.61 6.14 -0.89 -4.83 117.35 116.84 1kfg s TYR 364 Ca 0.00 -0.05 0.00 0.00 0.64 0.00 0.00 57.07 57.66 1kfg s TYR 364 Cb 0.00 -0.04 0.00 0.00 0.42 0.00 0.00 41.96 42.34 1kfg s TYR 364 CO 0.00 -0.08 0.00 0.41 0.64 0.00 0.00 175.55 176.52 1kfg n GLY 365 N 2.62 0.32 3.71 8.97 0.00 -1.26 -4.25 105.19 115.30 1kfg n GLY 365 Ca -0.15 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 1kfg n GLY 365 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kfg s VAL 366 N 0.00 5.09 -1.29 1.61 -7.23 -1.26 -4.40 120.40 112.92 1kfg s VAL 366 Ca 0.00 1.28 -0.13 0.00 -1.81 0.00 0.00 61.98 61.32 1kfg s VAL 366 Cb 0.00 -3.97 0.00 0.00 0.56 0.00 0.00 36.38 32.98 1kfg s VAL 366 CO 0.00 0.26 0.56 -3.20 -0.31 0.00 0.00 175.10 172.42 1kfg n ASN 367 N 3.84 -2.59 -4.73 4.85 5.15 -1.26 -0.23 115.26 120.29 1kfg n ASN 367 Ca -0.03 -1.07 -0.30 0.00 -0.60 0.00 0.00 54.58 52.57 1kfg n ASN 367 Cb 0.51 -2.87 0.12 0.00 -0.53 0.00 0.00 39.78 37.02 1kfg n ASN 367 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1kfg s PRO 368 N -6.54 1.64 0.34 1.20 0.04 -1.26 -4.06 135.00 126.37 1kfg s PRO 368 Ca 0.25 1.10 -0.29 0.00 0.04 0.00 0.00 61.00 62.10 1kfg s PRO 368 Cb -0.10 -1.83 -0.12 0.00 0.04 0.00 0.00 34.50 32.49 1kfg s PRO 368 CO 0.90 -2.05 1.46 -2.30 0.04 0.00 0.00 177.00 175.05 1kfg n PRO 369 N -3.79 2.52 -0.00 0.56 -0.02 -1.26 -4.91 135.00 128.10 1kfg n PRO 369 Ca 0.09 0.89 0.05 0.00 -2.02 0.00 0.00 63.50 62.50 1kfg n PRO 369 Cb 0.54 -2.59 -0.06 0.00 -0.02 0.00 0.00 33.50 31.36 1kfg n PRO 369 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1kfg n GLN 370 N 0.96 2.99 -2.59 -0.52 1.13 -1.26 -4.56 117.38 113.53 1kfg n GLN 370 Ca 0.04 -0.02 -0.20 0.00 -1.94 0.00 0.00 57.00 54.88 1kfg n GLN 370 Cb 0.37 -1.02 0.01 0.00 0.11 0.00 0.00 30.24 29.71 1kfg n GLN 370 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1kfg n HIS 371 N -1.37 2.50 -1.83 1.08 8.25 -1.26 -4.33 115.22 118.25 1kfg n HIS 371 Ca 0.01 -3.07 -0.38 0.00 -0.26 0.00 0.00 57.72 54.02 1kfg n HIS 371 Cb 0.18 -0.22 0.04 0.00 1.12 0.00 0.00 29.99 31.10 1kfg n HIS 371 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1kfg s PRO 372 N -3.34 3.11 -0.94 -0.41 0.04 -1.26 -2.61 135.00 129.58 1kfg s PRO 372 Ca 0.40 2.15 -0.24 0.00 0.04 0.00 0.00 61.00 63.35 1kfg s PRO 372 Cb 0.41 -2.20 -0.00 0.00 0.04 0.00 0.00 34.50 32.75 1kfg s PRO 372 CO -0.10 -1.18 1.72 -1.58 0.04 0.00 0.00 177.00 175.90 1kfg s HIS 373 N -1.35 2.12 -0.21 0.56 2.46 -0.17 -4.83 115.29 113.88 1kfg s HIS 373 Ca 0.73 -0.00 -0.06 0.00 0.47 0.00 0.00 55.06 56.19 1kfg s HIS 373 Cb -0.38 -4.34 0.10 0.00 -0.13 0.00 0.00 32.58 27.83 1kfg s HIS 373 CO 0.45 -1.85 0.42 -1.58 -2.47 0.00 0.00 174.74 169.70 1kfg s HIS 374 N 7.79 -0.81 0.09 3.88 5.04 -1.26 -3.95 115.29 126.07 1kfg s HIS 374 Ca 0.59 1.43 -0.26 0.00 -1.54 0.00 0.00 55.06 55.29 1kfg s HIS 374 Cb -0.04 0.27 -0.14 0.00 0.04 0.00 0.00 32.58 32.71 1kfg s HIS 374 CO -0.04 -0.52 1.70 0.00 -2.34 0.00 0.00 174.74 173.54 1kfg h ARG 375 N 8.17 -0.26 -0.03 2.88 3.08 -1.73 -2.13 114.38 124.36 1kfg h ARG 375 Ca -0.16 0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.75 1kfg h ARG 375 Cb 1.12 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 1kfg h ARG 375 CO 0.14 -0.18 -0.69 1.15 -1.07 0.00 0.00 179.97 179.32 1kfg h THR 376 N -0.27 1.45 -0.11 2.04 2.02 -1.83 -1.05 112.91 115.15 1kfg h THR 376 Ca -0.01 -2.26 -0.17 0.00 0.77 0.00 0.00 66.41 64.74 1kfg h THR 376 Cb 0.24 2.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 1kfg h THR 376 CO 0.00 0.66 -0.66 0.00 0.37 0.00 0.00 175.52 175.89 1kfg h ALA 377 N 1.20 0.64 0.20 6.16 0.00 -1.90 -3.13 119.26 122.43 1kfg h ALA 377 Ca -0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 1kfg h ALA 377 Cb 1.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1kfg h ALA 377 CO 0.10 0.73 -0.10 1.25 0.00 0.00 0.00 179.25 181.23 1kfg h HIS 378 N 0.33 -0.25 -2.45 0.00 6.17 -1.32 -0.58 115.15 117.04 1kfg h HIS 378 Ca -0.02 -0.01 -0.08 0.00 0.71 0.00 0.00 60.37 60.97 1kfg h HIS 378 Cb 1.22 0.08 0.03 0.00 2.52 0.00 0.00 27.41 31.27 1kfg h HIS 378 CO 0.04 0.09 -0.16 0.41 0.71 0.00 0.00 177.93 179.02 1kfg n GLY 379 N -0.21 0.44 3.77 5.26 0.00 -0.40 -1.29 105.19 112.76 1kfg n GLY 379 Ca -0.09 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 1kfg n GLY 379 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1kfg s SER 380 N -3.19 6.34 0.00 1.61 0.15 -1.26 -4.78 113.70 112.57 1kfg s SER 380 Ca 0.07 2.28 0.06 0.00 0.70 0.00 0.00 55.95 59.06 1kfg s SER 380 Cb -0.03 -2.60 0.16 0.00 -1.71 0.00 0.00 66.02 61.84 1kfg s SER 380 CO 0.16 -0.80 1.10 -2.67 1.20 0.00 0.00 173.24 172.24 1kfg n TRP 381 N -0.28 0.24 -0.96 3.44 2.14 -1.26 -4.34 117.44 116.42 1kfg n TRP 381 Ca 0.06 -0.45 0.05 0.00 2.07 0.00 0.00 57.50 59.23 1kfg n TRP 381 Cb 0.48 -0.03 0.07 0.00 -0.81 0.00 0.00 31.31 31.01 1kfg n TRP 381 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1kfg n THR 382 N 0.12 1.14 -3.58 -1.67 -2.24 -1.26 -2.34 114.28 104.45 1kfg n THR 382 Ca 0.06 -1.32 -0.20 0.00 -2.27 0.00 0.00 64.05 60.32 1kfg n THR 382 Cb 0.33 0.20 0.06 0.00 -2.10 0.00 0.00 70.33 68.82 1kfg n THR 382 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1kfg n ASP 383 N -0.81 -2.01 -3.72 3.42 2.03 -1.23 -3.64 116.55 110.59 1kfg n ASP 383 Ca 0.08 -0.71 -0.20 0.00 0.52 0.00 0.00 54.79 54.47 1kfg n ASP 383 Cb 0.54 -4.59 -0.18 0.00 -0.72 0.00 0.00 41.12 36.17 1kfg n ASP 383 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1kfg s GLN 384 N -5.75 0.14 0.53 -0.67 -0.21 -1.25 -4.73 119.66 107.72 1kfg s GLN 384 Ca 0.06 0.27 0.29 0.00 0.02 0.00 0.00 55.36 56.01 1kfg s GLN 384 Cb -0.03 -0.62 1.44 0.00 1.00 0.00 0.00 33.01 34.80 1kfg s GLN 384 CO 0.77 -0.30 2.05 1.98 -2.12 0.00 0.00 175.29 177.67 1kfg h MET 385 N 8.25 0.00 -0.00 2.91 1.85 -1.94 -2.85 114.93 123.15 1kfg h MET 385 Ca -0.18 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.91 1kfg h MET 385 Cb 1.12 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.15 1kfg h MET 385 CO 0.22 0.11 -0.43 0.25 -0.40 0.00 0.00 176.91 176.67 1kfg n THR 386 N -3.48 0.00 -3.92 -0.77 -2.24 -1.26 -4.87 114.28 97.75 1kfg n THR 386 Ca -0.01 -0.04 -0.19 0.00 -2.27 0.00 0.00 64.05 61.53 1kfg n THR 386 Cb 0.26 0.32 -0.17 0.00 -2.10 0.00 0.00 70.33 68.65 1kfg n THR 386 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1kfg s SER 387 N -2.83 0.86 1.02 3.42 0.15 -1.07 -3.70 113.70 111.56 1kfg s SER 387 Ca 0.15 -0.05 -0.12 0.00 0.70 0.00 0.00 55.95 56.63 1kfg s SER 387 Cb 0.18 -0.31 0.20 0.00 -1.71 0.00 0.00 66.02 64.38 1kfg s SER 387 CO 0.64 -0.13 1.09 -2.16 1.20 0.00 0.00 173.24 173.88 1kfg s PRO 388 N 1.32 0.21 -0.00 5.44 0.04 -1.26 -4.42 135.00 136.33 1kfg s PRO 388 Ca -0.05 0.53 0.02 0.00 0.04 0.00 0.00 61.00 61.54 1kfg s PRO 388 Cb -0.13 -1.71 0.06 0.00 0.04 0.00 0.00 34.50 32.75 1kfg s PRO 388 CO -0.02 -2.88 1.01 0.25 0.04 0.00 0.00 177.00 175.39 1kfg n THR 389 N -4.28 0.10 -3.81 1.26 -2.24 -1.24 -4.81 114.28 99.25 1kfg n THR 389 Ca 0.05 -0.09 -0.09 0.00 -2.27 0.00 0.00 64.05 61.65 1kfg n THR 389 Cb 0.57 -0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.73 1kfg n THR 389 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1kfg s TYR 390 N -1.85 0.08 -0.09 4.78 -0.85 -1.26 -5.12 117.35 113.04 1kfg s TYR 390 Ca 0.04 -0.48 -0.29 0.00 -0.52 0.00 0.00 57.07 55.82 1kfg s TYR 390 Cb 0.02 0.01 -0.02 0.00 0.38 0.00 0.00 41.96 42.36 1kfg s TYR 390 CO 0.03 -0.59 0.97 -1.01 -1.52 0.00 0.00 175.55 173.43 1kfg s HIS 391 N -3.85 3.53 0.02 -3.49 3.76 -1.26 -4.93 115.29 109.07 1kfg s HIS 391 Ca 0.05 1.57 0.32 0.00 -0.15 0.00 0.00 55.06 56.85 1kfg s HIS 391 Cb 0.04 -3.15 1.27 0.00 1.11 0.00 0.00 32.58 31.86 1kfg s HIS 391 CO -0.11 -0.18 1.94 0.00 -0.85 0.00 0.00 174.74 175.54 1kfg h ARG 392 N 7.06 0.00 -5.32 1.40 3.08 -1.04 -3.45 114.38 116.11 1kfg h ARG 392 Ca -0.33 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.33 1kfg h ARG 392 Cb 1.16 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.04 1kfg h ARG 392 CO 0.83 0.00 -0.74 -1.01 -1.07 0.00 0.00 179.97 177.98 1kfg s HIS 393 N -3.61 1.38 -0.36 3.04 3.76 -0.24 -4.96 115.29 114.29 1kfg s HIS 393 Ca 0.02 -0.61 -0.09 0.00 -0.15 0.00 0.00 55.06 54.23 1kfg s HIS 393 Cb 0.09 -0.71 0.03 0.00 1.11 0.00 0.00 32.58 33.11 1kfg s HIS 393 CO 0.54 0.14 0.17 0.99 -0.85 0.00 0.00 174.74 175.73 1kfg s THR 394 N -2.53 4.26 -1.24 1.30 2.01 -1.26 -4.73 115.64 113.46 1kfg s THR 394 Ca 0.12 -0.99 -0.12 0.00 0.31 0.00 0.00 61.69 61.00 1kfg s THR 394 Cb -0.03 -3.40 0.17 0.00 0.01 0.00 0.00 72.50 69.25 1kfg s THR 394 CO 0.03 -0.23 1.60 0.00 -0.69 0.00 0.00 174.62 175.33 1kfg n ILE 395 N 4.92 4.29 -1.54 1.82 3.06 -1.26 -4.99 119.36 125.66 1kfg n ILE 395 Ca -0.12 -4.60 -0.47 0.00 -2.50 0.00 0.00 62.75 55.06 1kfg n ILE 395 Cb 0.45 -2.42 -0.03 0.00 0.54 0.00 0.00 39.64 38.18 1kfg n ILE 395 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 1kfg n TYR 396 N 5.02 0.83 0.00 9.51 4.01 -1.26 -2.96 117.16 132.31 1kfg n TYR 396 Ca 0.38 0.78 0.00 0.00 -0.16 0.00 0.00 57.90 58.90 1kfg n TYR 396 Cb 0.40 -2.18 0.00 0.00 -0.31 0.00 0.00 39.34 37.25 1kfg n TYR 396 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1kfg n GLY 397 N 1.67 3.19 3.67 2.72 0.00 -0.64 -3.11 105.19 112.68 1kfg n GLY 397 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1kfg n GLY 397 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfg n ALA 398 N -0.86 1.67 -2.61 4.61 0.00 -1.16 -4.39 120.51 117.78 1kfg n ALA 398 Ca 0.00 0.24 -0.41 0.00 0.00 0.00 0.00 53.44 53.27 1kfg n ALA 398 Cb 0.00 -2.65 -0.07 0.00 0.00 0.00 0.00 19.45 16.73 1kfg n ALA 398 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1kfg s LEU 399 N 4.02 4.11 0.82 0.00 2.96 -1.26 -1.00 118.68 128.33 1kfg s LEU 399 Ca 0.88 0.52 -0.11 0.00 -0.22 0.00 0.00 54.13 55.20 1kfg s LEU 399 Cb -0.47 -2.80 0.08 0.00 0.50 0.00 0.00 46.19 43.50 1kfg s LEU 399 CO 0.42 -0.42 1.09 0.68 -1.32 0.00 0.00 176.35 176.80 1kfg s VAL 400 N 2.53 3.04 0.17 1.68 -7.23 -0.88 -4.58 120.40 115.15 1kfg s VAL 400 Ca 0.25 0.34 -0.25 0.00 -1.81 0.00 0.00 61.98 60.51 1kfg s VAL 400 Cb -0.15 -2.96 0.05 0.00 0.56 0.00 0.00 36.38 33.88 1kfg s VAL 400 CO 0.10 -0.44 1.56 1.23 -0.31 0.00 0.00 175.10 177.24 1kfg h GLY 401 N -1.22 -0.44 0.00 2.32 0.00 -1.09 -3.43 103.07 99.22 1kfg h GLY 401 Ca -0.47 0.58 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1kfg h GLY 401 CO 0.56 -0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.57 1kfg n GLY 402 N -1.40 2.40 3.81 4.60 0.00 -0.64 -1.02 105.19 112.94 1kfg n GLY 402 Ca 0.03 -2.11 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 1kfg n GLY 402 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kfg s PRO 403 N -1.84 0.07 0.59 1.61 0.04 -1.26 -4.60 135.00 129.61 1kfg s PRO 403 Ca 0.00 -0.24 -0.06 0.00 0.04 0.00 0.00 61.00 60.75 1kfg s PRO 403 Cb 0.00 -1.76 0.13 0.00 0.04 0.00 0.00 34.50 32.90 1kfg s PRO 403 CO 0.00 -2.82 0.80 -0.40 0.04 0.00 0.00 177.00 174.62 1kfg n ASP 404 N -4.09 0.52 0.00 6.66 3.85 -0.26 -4.76 116.55 118.46 1kfg n ASP 404 Ca 0.14 -1.57 0.05 0.00 -0.71 0.00 0.00 54.79 52.70 1kfg n ASP 404 Cb 0.59 -0.57 0.29 0.00 -1.35 0.00 0.00 41.12 40.08 1kfg n ASP 404 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 1kfg n ASN 405 N -3.25 0.00 -0.54 -1.12 6.94 -1.26 -1.58 115.26 114.45 1kfg n ASN 405 Ca 0.11 -0.10 0.07 0.00 -0.02 0.00 0.00 54.58 54.65 1kfg n ASN 405 Cb 0.40 -0.15 0.20 0.00 -2.36 0.00 0.00 39.78 37.87 1kfg n ASN 405 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1kfg n ALA 406 N -1.15 2.92 -0.98 -2.53 0.00 -1.26 -4.39 120.51 113.13 1kfg n ALA 406 Ca 0.06 -2.67 0.00 0.00 0.00 0.00 0.00 53.44 50.84 1kfg n ALA 406 Cb 0.06 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1kfg n ALA 406 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1kfg n ASP 407 N -1.06 -4.44 -4.73 0.00 8.00 -0.61 -4.86 116.55 108.86 1kfg n ASP 407 Ca 0.20 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.29 1kfg n ASP 407 Cb 0.78 -2.18 -0.03 0.00 -0.02 0.00 0.00 41.12 39.67 1kfg n ASP 407 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1kfg s GLY 408 N -2.00 2.49 -0.08 0.44 0.00 -1.26 -4.72 107.32 102.19 1kfg s GLY 408 Ca 0.00 0.94 -0.05 0.00 0.00 0.00 0.00 44.72 45.61 1kfg s GLY 408 CO 0.00 1.98 0.19 -0.47 0.00 0.00 0.00 173.10 174.80 1kfg s TYR 409 N 0.47 -0.23 -0.27 1.90 5.04 -1.26 -1.11 117.35 121.90 1kfg s TYR 409 Ca 0.56 0.58 0.03 0.00 -2.44 0.00 0.00 57.07 55.80 1kfg s TYR 409 Cb -0.32 0.01 0.07 0.00 0.35 0.00 0.00 41.96 42.07 1kfg s TYR 409 CO 0.33 -0.16 -0.06 0.99 -1.34 0.00 0.00 175.55 175.31 1kfg s THR 410 N 0.84 2.00 -1.10 4.34 2.01 -1.26 -5.05 115.64 117.41 1kfg s THR 410 Ca -0.06 -1.66 -0.22 0.00 0.31 0.00 0.00 61.69 60.06 1kfg s THR 410 Cb -0.08 -2.22 0.05 0.00 0.01 0.00 0.00 72.50 70.26 1kfg s THR 410 CO -0.05 -0.17 1.59 -0.62 -0.69 0.00 0.00 174.62 174.68 1kfg s ASP 411 N 1.15 6.46 0.01 3.53 2.15 -1.26 -4.80 116.67 123.91 1kfg s ASP 411 Ca -0.04 -1.71 0.00 0.00 0.43 0.00 0.00 52.55 51.23 1kfg s ASP 411 Cb -0.19 -2.57 -0.01 0.00 -0.30 0.00 0.00 42.92 39.84 1kfg s ASP 411 CO -0.06 -1.54 -0.02 -1.83 -0.17 0.00 0.00 175.17 171.54 1kfg s GLU 412 N 4.94 0.18 0.47 4.34 -1.05 -1.26 -4.68 118.70 121.64 1kfg s GLU 412 Ca 0.51 -0.29 0.15 0.00 -0.15 0.00 0.00 54.97 55.18 1kfg s GLU 412 Cb 0.01 -0.01 1.12 0.00 -0.44 0.00 0.00 34.13 34.81 1kfg s GLU 412 CO -0.03 -0.01 2.04 0.97 0.95 0.00 0.00 175.26 179.18 1kfg h ILE 413 N 4.91 0.93 -0.00 1.83 2.10 -1.82 -2.69 117.51 122.77 1kfg h ILE 413 Ca -0.28 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.57 1kfg h ILE 413 Cb 1.21 0.64 0.00 0.00 -1.09 0.00 0.00 36.82 37.58 1kfg h ILE 413 CO 0.46 0.05 -0.17 -0.46 -1.08 0.00 0.00 178.15 176.95 1kfg n ASN 414 N -4.47 0.25 -4.32 2.19 0.23 -1.26 -4.25 115.26 103.62 1kfg n ASN 414 Ca 0.05 0.01 -0.43 0.00 -0.53 0.00 0.00 54.58 53.68 1kfg n ASN 414 Cb 0.28 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 1kfg n ASN 414 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1kfg n ASN 415 N -1.37 5.04 0.00 0.53 4.05 -1.01 -4.77 115.26 117.73 1kfg n ASN 415 Ca 0.09 -2.98 0.11 0.00 0.45 0.00 0.00 54.58 52.25 1kfg n ASN 415 Cb 0.32 -1.60 0.59 0.00 1.23 0.00 0.00 39.78 40.33 1kfg n ASN 415 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1kfg n TYR 416 N 5.93 0.00 0.03 1.20 0.18 -1.26 -0.10 117.16 123.14 1kfg n TYR 416 Ca 0.41 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.98 1kfg n TYR 416 Cb 0.42 -0.23 -0.14 0.00 -0.38 0.00 0.00 39.34 39.00 1kfg n TYR 416 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 1kfg h VAL 417 N 0.00 1.11 0.00 -3.48 2.07 -1.96 -3.28 116.25 110.71 1kfg h VAL 417 Ca 0.00 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.07 1kfg h VAL 417 Cb 0.17 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1kfg h VAL 417 CO 0.00 0.73 -0.69 0.59 0.02 0.00 0.00 177.57 178.22 1kfg n ASN 418 N -3.91 0.73 -0.12 0.57 4.13 -1.20 -3.78 115.26 111.68 1kfg n ASN 418 Ca -0.23 -0.72 0.07 0.00 1.68 0.00 0.00 54.58 55.38 1kfg n ASN 418 Cb 0.92 1.06 0.09 0.00 -1.54 0.00 0.00 39.78 40.31 1kfg n ASN 418 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1kfg n ASN 419 N -1.36 1.90 -4.95 6.41 5.15 0.86 -1.62 115.26 121.65 1kfg n ASN 419 Ca 0.02 -2.70 -0.24 0.00 -0.60 0.00 0.00 54.58 51.06 1kfg n ASN 419 Cb 0.21 -0.32 0.03 0.00 -0.53 0.00 0.00 39.78 39.17 1kfg n ASN 419 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1kfg s GLU 420 N -2.09 2.82 0.10 1.20 2.12 -1.24 -1.00 118.70 120.61 1kfg s GLU 420 Ca 0.22 -0.42 0.06 0.00 0.36 0.00 0.00 54.97 55.18 1kfg s GLU 420 Cb 0.19 -2.43 -0.03 0.00 0.26 0.00 0.00 34.13 32.11 1kfg s GLU 420 CO 0.02 -0.57 -0.15 0.96 -0.54 0.00 0.00 175.26 174.98 1kfg s ILE 421 N -2.78 1.28 0.13 -3.70 -4.36 -1.26 -1.79 121.20 108.72 1kfg s ILE 421 Ca 0.53 -1.53 -0.25 0.00 -0.26 0.00 0.00 60.65 59.14 1kfg s ILE 421 Cb -0.10 -1.34 0.07 0.00 1.25 0.00 0.00 42.46 42.33 1kfg s ILE 421 CO 0.40 -0.30 0.76 0.00 0.24 0.00 0.00 174.94 176.04 1kfg s ALA 422 N -1.68 -1.61 0.14 2.27 0.00 -1.26 -3.41 121.76 116.20 1kfg s ALA 422 Ca 0.04 0.46 -0.26 0.00 0.00 0.00 0.00 51.96 52.20 1kfg s ALA 422 Cb -0.07 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 1kfg s ALA 422 CO 0.03 -0.83 1.61 0.00 0.00 0.00 0.00 175.76 176.57 1kfg h ASP 424 N -0.40 0.00 -0.72 0.00 2.03 -1.84 -2.49 116.42 113.00 1kfg h ASP 424 Ca 0.09 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.38 1kfg h ASP 424 Cb 0.55 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.01 1kfg h ASP 424 CO -0.35 0.09 0.40 1.88 -1.03 0.00 0.00 179.24 180.24 1kfg h TYR 425 N 0.00 1.00 -0.01 4.15 -1.99 -1.74 -2.82 116.97 115.56 1kfg h TYR 425 Ca -0.00 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1kfg h TYR 425 Cb 0.20 -0.32 0.00 0.00 2.00 0.00 0.00 36.73 38.60 1kfg h TYR 425 CO 0.00 0.69 -0.27 0.09 -0.00 0.00 0.00 178.16 178.67 1kfg n ASN 426 N -4.36 1.26 0.16 3.88 4.13 -0.95 -4.37 115.26 115.00 1kfg n ASN 426 Ca 0.07 -1.06 -0.06 0.00 1.68 0.00 0.00 54.58 55.22 1kfg n ASN 426 Cb 0.10 0.18 -0.03 0.00 -1.54 0.00 0.00 39.78 38.49 1kfg n ASN 426 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1kfg h ALA 427 N 3.78 -0.99 -0.27 5.41 0.00 -1.29 -1.48 119.26 124.42 1kfg h ALA 427 Ca 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1kfg h ALA 427 Cb 0.56 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1kfg h ALA 427 CO 0.00 -0.96 -0.15 0.78 0.00 0.00 0.00 179.25 178.93 1kfg h GLY 428 N -0.45 0.50 0.18 0.00 0.00 -1.82 -2.80 103.07 98.67 1kfg h GLY 428 Ca -0.04 -0.35 0.10 0.00 0.00 0.00 0.00 47.33 47.03 1kfg h GLY 428 CO 0.07 0.32 -0.00 -2.75 0.00 0.00 0.00 176.54 174.18 1kfg h PHE 429 N 0.42 -0.03 -0.66 5.60 -0.00 -1.71 -0.74 116.94 119.82 1kfg h PHE 429 Ca 0.08 0.04 0.06 0.00 -0.00 0.00 0.00 57.97 58.14 1kfg h PHE 429 Cb 0.51 0.09 -0.05 0.00 -0.00 0.00 0.00 35.95 36.50 1kfg h PHE 429 CO 0.02 -0.11 0.37 1.15 -0.00 0.00 0.00 178.31 179.74 1kfg h THR 430 N 0.12 0.98 -0.50 4.41 2.02 -0.99 -0.51 112.91 118.43 1kfg h THR 430 Ca 0.25 -0.24 -0.08 0.00 0.77 0.00 0.00 66.41 67.11 1kfg h THR 430 Cb 0.37 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1kfg h THR 430 CO -0.41 0.13 -0.01 1.23 0.37 0.00 0.00 175.52 176.82 1kfg h GLY 431 N 0.69 0.92 1.62 2.16 0.00 -1.23 -1.72 103.07 105.50 1kfg h GLY 431 Ca 0.30 -0.63 -0.12 0.00 0.00 0.00 0.00 47.33 46.87 1kfg h GLY 431 CO -0.18 0.59 -0.42 0.00 0.00 0.00 0.00 176.54 176.53 1kfg h ALA 432 N 1.19 0.95 -0.50 3.60 0.00 -0.64 -2.75 119.26 121.12 1kfg h ALA 432 Ca 0.15 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1kfg h ALA 432 Cb 0.49 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1kfg h ALA 432 CO 0.02 0.63 -0.13 -0.07 0.00 0.00 0.00 179.25 179.71 1kfg h LEU 433 N 0.35 0.94 -0.81 0.00 3.38 -0.74 -1.35 115.31 117.07 1kfg h LEU 433 Ca 0.03 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1kfg h LEU 433 Cb 0.88 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1kfg h LEU 433 CO 0.07 1.06 0.48 0.00 0.09 0.00 0.00 178.44 180.15 1kfg h ALA 434 N 1.02 1.03 -0.31 1.53 0.00 -1.18 0.41 119.26 121.76 1kfg h ALA 434 Ca 0.13 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1kfg h ALA 434 Cb 0.67 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1kfg h ALA 434 CO 0.05 0.50 -0.28 0.87 0.00 0.00 0.00 179.25 180.39 1kfg h LYS 435 N 1.11 0.63 -0.16 0.00 1.57 -1.18 -1.26 116.57 117.27 1kfg h LYS 435 Ca 0.29 -0.26 -0.15 0.00 -1.87 0.00 0.00 60.65 58.66 1kfg h LYS 435 Cb -0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1kfg h LYS 435 CO -0.05 0.84 -0.53 0.52 -0.57 0.00 0.00 179.45 179.65 1kfg h MET 436 N 0.54 0.45 -0.36 3.15 2.86 -0.73 -2.26 114.93 118.59 1kfg h MET 436 Ca 0.07 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 1kfg h MET 436 Cb 0.76 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 1kfg h MET 436 CO 0.06 0.87 0.16 -0.92 1.06 0.00 0.00 176.91 178.14 1kfg h TYR 437 N 0.35 0.53 -0.58 -0.22 3.20 -0.64 0.38 116.97 119.98 1kfg h TYR 437 Ca 0.01 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.89 1kfg h TYR 437 Cb 1.05 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.13 1kfg h TYR 437 CO 0.04 0.47 0.39 -0.22 -1.64 0.00 0.00 178.16 177.19 1kfg h LYS 438 N 0.44 0.60 0.11 1.82 3.64 -1.09 0.24 116.57 122.32 1kfg h LYS 438 Ca 0.12 -0.04 -0.29 0.00 -1.27 0.00 0.00 60.65 59.18 1kfg h LYS 438 Cb 0.15 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1kfg h LYS 438 CO -0.01 0.40 -1.49 1.25 -2.27 0.00 0.00 179.45 177.32 1kfg h HIS 439 N 0.62 0.43 -0.00 1.91 2.76 -0.82 -3.42 115.15 116.62 1kfg h HIS 439 Ca 0.24 -0.31 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 1kfg h HIS 439 Cb 0.18 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.13 1kfg h HIS 439 CO -0.00 1.59 -0.04 0.43 -1.30 0.00 0.00 177.93 178.60 1kfg n SER 440 N -3.89 0.73 0.00 3.26 7.64 0.13 -5.10 113.62 116.39 1kfg n SER 440 Ca -0.26 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 58.75 1kfg n SER 440 Cb 0.91 0.43 0.00 0.00 -1.01 0.00 0.00 64.21 64.54 1kfg n SER 440 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kfg n GLY 441 N 0.53 -0.18 0.00 0.23 0.00 0.82 -4.90 105.19 101.69 1kfg n GLY 441 Ca 0.01 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1kfg n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfg n GLY 442 N 0.00 1.96 3.72 -0.02 0.00 -1.26 -2.47 105.19 107.12 1kfg n GLY 442 Ca 0.00 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1kfg n GLY 442 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kfg s ASP 443 N 0.00 7.04 0.97 1.61 1.01 -1.26 -1.50 116.67 124.54 1kfg s ASP 443 Ca 0.00 2.12 -0.12 0.00 0.71 0.00 0.00 52.55 55.26 1kfg s ASP 443 Cb 0.00 -2.59 0.17 0.00 1.01 0.00 0.00 42.92 41.52 1kfg s ASP 443 CO 0.00 -0.48 1.09 -2.84 0.21 0.00 0.00 175.17 173.15 1kfg s PRO 444 N 0.79 0.64 0.00 8.23 0.02 -1.26 -4.12 135.00 139.29 1kfg s PRO 444 Ca 0.58 0.96 -0.30 0.00 0.02 0.00 0.00 61.00 62.27 1kfg s PRO 444 Cb -0.31 -1.73 -0.04 0.00 0.02 0.00 0.00 34.50 32.44 1kfg s PRO 444 CO 0.31 -2.71 1.15 0.42 -0.33 0.00 0.00 177.00 175.84 1kfg s ILE 445 N -2.76 4.30 0.26 2.83 1.01 -1.26 -4.89 121.20 120.69 1kfg s ILE 445 Ca 0.65 1.64 -0.31 0.00 0.00 0.00 0.00 60.65 62.63 1kfg s ILE 445 Cb -0.21 -4.05 -0.11 0.00 0.01 0.00 0.00 42.46 38.10 1kfg s ILE 445 CO 0.59 0.07 1.63 -2.84 0.00 0.00 0.00 174.94 174.39 1kfg s PRO 446 N 1.52 4.13 -1.48 2.79 0.02 -1.26 -3.24 135.00 137.47 1kfg s PRO 446 Ca 0.56 2.57 -0.00 0.00 0.02 0.00 0.00 61.00 64.15 1kfg s PRO 446 Cb -0.26 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.21 1kfg s PRO 446 CO 0.26 -0.66 0.20 0.09 -0.33 0.00 0.00 177.00 176.55 1kfg n ASN 447 N 2.84 0.34 -4.73 2.53 3.02 -1.26 -4.87 115.26 113.13 1kfg n ASN 447 Ca 0.11 -1.15 -0.41 0.00 -0.03 0.00 0.00 54.58 53.09 1kfg n ASN 447 Cb 0.37 -2.28 -0.03 0.00 -0.61 0.00 0.00 39.78 37.23 1kfg n ASN 447 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1kfg s PHE 448 N -4.19 3.34 0.12 3.10 5.36 -1.20 -5.03 117.98 119.48 1kfg s PHE 448 Ca 0.00 1.28 -0.03 0.00 -0.96 0.00 0.00 56.93 57.22 1kfg s PHE 448 Cb -0.00 -3.52 -0.03 0.00 -0.34 0.00 0.00 43.02 39.12 1kfg s PHE 448 CO 0.95 -1.60 0.10 -1.59 -1.46 0.00 0.00 175.22 171.61 1kfg s LYS 449 N 0.08 0.90 -0.64 10.12 0.00 -1.26 -5.04 119.74 123.90 1kfg s LYS 449 Ca 0.56 -1.29 0.04 0.00 0.00 0.00 0.00 55.97 55.28 1kfg s LYS 449 Cb -0.34 0.27 0.35 0.00 0.00 0.00 0.00 37.83 38.11 1kfg s LYS 449 CO 0.36 -0.26 1.16 0.00 0.00 0.00 0.00 175.35 176.60 1kfg n ALA 450 N -0.07 5.04 -2.80 0.59 0.00 0.15 -4.98 120.51 118.44 1kfg n ALA 450 Ca -0.09 -4.61 -0.44 0.00 0.00 0.00 0.00 53.44 48.31 1kfg n ALA 450 Cb 0.63 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 1kfg n ALA 450 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1kfg s ILE 451 N -4.65 4.66 0.37 0.00 -1.09 -1.26 -3.27 121.20 115.97 1kfg s ILE 451 Ca 0.47 -0.35 -0.06 0.00 -2.23 0.00 0.00 60.65 58.48 1kfg s ILE 451 Cb 0.29 -4.44 -0.05 0.00 -1.58 0.00 0.00 42.46 36.68 1kfg s ILE 451 CO -0.16 -1.02 0.67 -1.61 -1.23 0.00 0.00 174.94 171.59 1kfg s GLU 452 N 3.18 3.66 0.34 2.79 2.02 -1.26 -4.99 118.70 124.44 1kfg s GLU 452 Ca 0.19 0.17 -0.26 0.00 0.02 0.00 0.00 54.97 55.10 1kfg s GLU 452 Cb -0.18 -2.51 -0.10 0.00 0.10 0.00 0.00 34.13 31.44 1kfg s GLU 452 CO 0.13 0.05 0.99 0.15 0.02 0.00 0.00 175.26 176.59 1kfg s LYS 453 N -3.93 4.46 -0.20 1.61 1.02 -1.26 -4.96 119.74 116.48 1kfg s LYS 453 Ca 0.47 1.42 -0.29 0.00 0.02 0.00 0.00 55.97 57.58 1kfg s LYS 453 Cb -0.10 -2.74 -0.03 0.00 -0.52 0.00 0.00 37.83 34.44 1kfg s LYS 453 CO 0.34 0.14 1.54 0.42 -0.92 0.00 0.00 175.35 176.87 1kfg s ILE 454 N -1.60 3.80 -2.28 2.17 -1.09 -1.26 -4.88 121.20 116.06 1kfg s ILE 454 Ca 0.52 0.92 0.25 0.00 -2.23 0.00 0.00 60.65 60.11 1kfg s ILE 454 Cb -0.21 -3.75 0.24 0.00 -1.58 0.00 0.00 42.46 37.16 1kfg s ILE 454 CO 0.26 -0.26 1.40 0.35 -1.23 0.00 0.00 174.94 175.46 1kfg n THR 455 N 6.12 0.00 -3.71 2.92 -2.24 -1.26 -4.91 114.28 111.20 1kfg n THR 455 Ca 0.17 -0.28 -0.14 0.00 -2.27 0.00 0.00 64.05 61.54 1kfg n THR 455 Cb 0.45 0.91 -0.09 0.00 -2.10 0.00 0.00 70.33 69.50 1kfg n THR 455 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1kfg s ASN 456 N -2.27 -0.42 -0.06 3.42 4.22 -1.26 -5.10 114.94 113.46 1kfg s ASN 456 Ca 0.27 0.69 -0.33 0.00 -2.14 0.00 0.00 52.86 51.35 1kfg s ASN 456 Cb 0.19 0.74 -0.11 0.00 1.28 0.00 0.00 41.25 43.35 1kfg s ASN 456 CO 0.44 -0.27 1.90 0.47 -2.04 0.00 0.00 177.10 177.61 1kfg n ASP 457 N 2.29 3.61 0.18 3.54 8.00 -1.26 -4.84 116.55 128.07 1kfg n ASP 457 Ca -0.16 0.96 0.03 0.00 0.71 0.00 0.00 54.79 56.34 1kfg n ASP 457 Cb 0.57 -1.40 0.42 0.00 -0.02 0.00 0.00 41.12 40.68 1kfg n ASP 457 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1kfg h GLU 458 N 9.48 0.07 -3.34 -1.24 5.08 -1.94 -3.42 114.58 119.27 1kfg h GLU 458 Ca -0.49 -0.02 -0.38 0.00 -1.00 0.00 0.00 59.36 57.47 1kfg h GLU 458 Cb 1.26 -0.01 -0.39 0.00 0.50 0.00 0.00 28.75 30.12 1kfg h GLU 458 CO 0.95 0.30 -0.74 0.08 -1.00 0.00 0.00 179.01 178.60 1kfg s VAL 459 N -4.51 -0.06 0.35 3.13 1.01 -1.26 0.49 120.40 119.55 1kfg s VAL 459 Ca -0.04 0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.34 1kfg s VAL 459 Cb 0.15 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 36.27 1kfg s VAL 459 CO 0.72 0.17 0.08 0.27 0.00 0.00 0.00 175.10 176.33 1kfg s ILE 460 N 2.15 1.00 -0.00 2.22 -4.36 -0.90 -4.64 121.20 116.67 1kfg s ILE 460 Ca 0.05 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.44 1kfg s ILE 460 Cb -0.12 -2.66 0.00 0.00 1.25 0.00 0.00 42.46 40.93 1kfg s ILE 460 CO -0.04 0.00 0.00 -0.51 0.24 0.00 0.00 174.94 174.64 1kfg s ILE 461 N -3.30 0.01 0.07 8.37 2.07 -1.26 -0.76 121.20 126.40 1kfg s ILE 461 Ca 0.33 0.02 0.10 0.00 -1.41 0.00 0.00 60.65 59.69 1kfg s ILE 461 Cb 0.07 -0.03 -0.03 0.00 0.13 0.00 0.00 42.46 42.60 1kfg s ILE 461 CO 0.15 0.02 -0.27 -0.54 -1.91 0.00 0.00 174.94 172.39 1kfg s LYS 462 N 0.14 1.69 0.23 3.50 1.02 -0.18 -2.00 119.74 124.15 1kfg s LYS 462 Ca -0.01 -1.17 -0.09 0.00 0.02 0.00 0.00 55.97 54.72 1kfg s LYS 462 Cb -0.02 -1.95 -0.02 0.00 -0.52 0.00 0.00 37.83 35.32 1kfg s LYS 462 CO -0.00 0.49 0.36 0.00 -0.92 0.00 0.00 175.35 175.28 1kfg s ALA 463 N -0.87 0.23 0.12 5.17 0.00 0.42 0.13 121.76 126.96 1kfg s ALA 463 Ca 0.12 -1.15 -0.25 0.00 0.00 0.00 0.00 51.96 50.68 1kfg s ALA 463 Cb -0.10 1.17 0.07 0.00 0.00 0.00 0.00 23.12 24.26 1kfg s ALA 463 CO 0.03 -0.77 0.89 0.20 0.00 0.00 0.00 175.76 176.11 1kfg s GLY 464 N -3.06 -0.31 -0.40 0.00 0.00 -0.28 -1.30 107.32 101.96 1kfg s GLY 464 Ca 0.28 0.36 -0.27 0.00 0.00 0.00 0.00 44.72 45.09 1kfg s GLY 464 CO 0.10 0.10 0.99 -2.27 0.00 0.00 0.00 173.10 172.01 1kfg s LEU 465 N -2.80 3.92 -0.07 0.66 1.98 0.23 -1.72 118.68 120.89 1kfg s LEU 465 Ca 0.09 0.52 -0.14 0.00 -2.89 0.00 0.00 54.13 51.71 1kfg s LEU 465 Cb -0.02 -3.34 -0.10 0.00 0.66 0.00 0.00 46.19 43.39 1kfg s LEU 465 CO -0.02 -0.98 0.56 -1.13 -1.89 0.00 0.00 176.35 172.89 1kfg h ASN 466 N 8.70 -0.20 -4.59 3.68 -0.00 -1.24 -2.92 115.58 119.01 1kfg h ASN 466 Ca -0.23 -0.21 -0.07 0.00 -0.00 0.00 0.00 56.30 55.79 1kfg h ASN 466 Cb 1.07 0.05 -0.20 0.00 -0.00 0.00 0.00 38.32 39.24 1kfg h ASN 466 CO 1.03 0.35 0.05 -0.94 -0.00 0.00 0.00 177.43 177.92 1kfg s SER 467 N -5.41 -0.59 0.46 1.15 1.04 -1.17 -4.70 113.70 104.48 1kfg s SER 467 Ca -0.08 0.84 0.03 0.00 0.48 0.00 0.00 55.95 57.21 1kfg s SER 467 Cb 0.00 0.80 -0.02 0.00 0.10 0.00 0.00 66.02 66.90 1kfg s SER 467 CO 0.30 -0.43 0.06 0.42 0.98 0.00 0.00 173.24 174.57 1kfg s THR 468 N -0.61 0.95 -0.03 2.02 -4.23 -1.26 -0.83 115.64 111.64 1kfg s THR 468 Ca -0.07 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.13 1kfg s THR 468 Cb -0.03 -2.28 0.11 0.00 1.34 0.00 0.00 72.50 71.64 1kfg s THR 468 CO 0.06 0.00 1.14 -0.83 -0.54 0.00 0.00 174.62 174.44 1kfg s GLY 469 N -3.75 -0.35 0.13 3.99 0.00 -1.01 -4.95 107.32 101.38 1kfg s GLY 469 Ca 0.15 0.91 0.11 0.00 0.00 0.00 0.00 44.72 45.89 1kfg s GLY 469 CO 0.09 0.26 1.35 -1.55 0.00 0.00 0.00 173.10 173.24 1kfg n PRO 470 N -0.33 0.07 -0.29 2.90 -0.04 -1.26 -2.39 135.00 133.66 1kfg n PRO 470 Ca -0.05 0.51 0.04 0.00 -0.04 0.00 0.00 63.50 63.96 1kfg n PRO 470 Cb 0.61 -1.69 0.06 0.00 -0.04 0.00 0.00 33.50 32.44 1kfg n PRO 470 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1kfg n ASN 471 N -1.83 1.03 -3.71 3.54 6.94 -1.26 -4.12 115.26 115.86 1kfg n ASN 471 Ca 0.00 -2.41 -0.05 0.00 -0.02 0.00 0.00 54.58 52.11 1kfg n ASN 471 Cb 0.05 -0.28 -0.02 0.00 -2.36 0.00 0.00 39.78 37.18 1kfg n ASN 471 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1kfg s TYR 472 N -1.22 -0.19 -0.02 -2.53 -0.85 -1.01 0.20 117.35 111.74 1kfg s TYR 472 Ca 0.13 -0.10 -0.00 0.00 -0.52 0.00 0.00 57.07 56.58 1kfg s TYR 472 Cb 0.11 0.62 0.03 0.00 0.38 0.00 0.00 41.96 43.11 1kfg s TYR 472 CO 0.01 -0.81 0.04 0.99 -1.52 0.00 0.00 175.55 174.26 1kfg s THR 473 N -3.32 -0.07 -0.15 -3.49 2.01 -0.90 -2.41 115.64 107.31 1kfg s THR 473 Ca 0.10 0.24 0.02 0.00 0.31 0.00 0.00 61.69 62.36 1kfg s THR 473 Cb -0.02 -0.10 0.01 0.00 0.01 0.00 0.00 72.50 72.40 1kfg s THR 473 CO 0.00 0.10 -0.20 -0.70 -0.69 0.00 0.00 174.62 173.13 1kfg s GLU 474 N 1.19 3.07 -0.03 4.92 2.12 -0.01 -1.78 118.70 128.18 1kfg s GLU 474 Ca -0.08 -0.82 -0.01 0.00 0.36 0.00 0.00 54.97 54.42 1kfg s GLU 474 Cb -0.13 -2.52 -0.04 0.00 0.26 0.00 0.00 34.13 31.71 1kfg s GLU 474 CO -0.03 -0.04 0.06 0.42 -0.54 0.00 0.00 175.26 175.13 1kfg s ILE 475 N 0.91 4.64 -0.19 -3.70 -1.09 0.18 -0.95 121.20 120.99 1kfg s ILE 475 Ca -0.04 -0.34 0.01 0.00 -2.23 0.00 0.00 60.65 58.05 1kfg s ILE 475 Cb -0.15 -3.07 0.02 0.00 -1.58 0.00 0.00 42.46 37.68 1kfg s ILE 475 CO -0.03 0.44 -0.17 -0.75 -1.23 0.00 0.00 174.94 173.19 1kfg s LYS 476 N -1.46 2.93 0.06 2.79 2.36 -0.70 -0.69 119.74 125.04 1kfg s LYS 476 Ca 0.20 -0.88 0.06 0.00 -2.55 0.00 0.00 55.97 52.80 1kfg s LYS 476 Cb -0.12 -2.65 -0.03 0.00 -1.05 0.00 0.00 37.83 33.98 1kfg s LYS 476 CO 0.10 -0.26 -0.16 0.00 1.55 0.00 0.00 175.35 176.59 1kfg s ALA 477 N 1.29 1.32 -0.11 3.13 0.00 0.22 -1.13 121.76 126.48 1kfg s ALA 477 Ca 0.03 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 1kfg s ALA 477 Cb -0.14 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.82 1kfg s ALA 477 CO -0.11 0.25 -0.04 0.08 0.00 0.00 0.00 175.76 175.94 1kfg s VAL 478 N -0.99 0.77 0.03 0.00 1.01 0.12 -0.27 120.40 121.06 1kfg s VAL 478 Ca 0.02 -0.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.65 1kfg s VAL 478 Cb -0.09 -0.87 -0.06 0.00 0.00 0.00 0.00 36.38 35.36 1kfg s VAL 478 CO 0.02 0.28 0.50 -0.69 0.00 0.00 0.00 175.10 175.21 1kfg s VAL 479 N 1.81 4.89 -0.06 2.92 1.01 -0.57 -1.01 120.40 129.39 1kfg s VAL 479 Ca 0.04 1.05 0.04 0.00 0.00 0.00 0.00 61.98 63.12 1kfg s VAL 479 Cb -0.13 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 1kfg s VAL 479 CO -0.07 0.55 -0.18 -0.31 0.00 0.00 0.00 175.10 175.09 1kfg s TYR 480 N -0.95 1.85 -0.42 5.22 1.51 0.06 -1.64 117.35 122.97 1kfg s TYR 480 Ca 0.27 -0.60 -0.18 0.00 -1.01 0.00 0.00 57.07 55.55 1kfg s TYR 480 Cb -0.18 -1.26 0.02 0.00 -0.11 0.00 0.00 41.96 40.43 1kfg s TYR 480 CO 0.16 -0.23 0.49 1.21 -1.11 0.00 0.00 175.55 176.07 1kfg s ASN 481 N 0.17 6.23 -0.21 2.29 3.84 0.28 -2.11 114.94 125.43 1kfg s ASN 481 Ca -0.08 -0.56 0.12 0.00 0.21 0.00 0.00 52.86 52.55 1kfg s ASN 481 Cb -0.13 -2.25 0.43 0.00 -0.55 0.00 0.00 41.25 38.75 1kfg s ASN 481 CO 0.04 -0.62 1.21 0.00 -2.79 0.00 0.00 177.10 174.93 1kfg n GLN 482 N 5.76 1.88 -1.90 0.43 6.02 0.18 -4.38 117.38 125.36 1kfg n GLN 482 Ca -0.06 -3.38 -0.38 0.00 -0.01 0.00 0.00 57.00 53.17 1kfg n GLN 482 Cb 0.48 -1.61 0.03 0.00 1.02 0.00 0.00 30.24 30.15 1kfg n GLN 482 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1kfg s THR 483 N -3.24 2.32 0.00 5.09 -4.23 -0.72 -4.50 115.64 110.36 1kfg s THR 483 Ca 0.40 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 61.15 1kfg s THR 483 Cb 0.38 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1kfg s THR 483 CO -0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 1kfg n GLY 484 N 0.65 0.94 2.52 3.99 0.00 -1.26 -4.24 105.19 107.78 1kfg n GLY 484 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1kfg n GLY 484 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1kfg n TRP 485 N 0.00 2.65 -2.82 1.61 8.01 -1.26 -3.35 117.44 122.28 1kfg n TRP 485 Ca 0.00 -3.96 -0.19 0.00 -1.31 0.00 0.00 57.50 52.03 1kfg n TRP 485 Cb 0.00 -0.48 0.03 0.00 -2.01 0.00 0.00 31.31 28.85 1kfg n TRP 485 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1kfg s PRO 486 N -2.59 2.60 0.40 -0.99 0.04 -1.22 -4.80 135.00 128.45 1kfg s PRO 486 Ca 0.42 -1.06 -0.27 0.00 0.04 0.00 0.00 61.00 60.13 1kfg s PRO 486 Cb 0.22 -2.61 -0.10 0.00 0.04 0.00 0.00 34.50 32.06 1kfg s PRO 486 CO -0.08 -0.57 1.47 0.00 0.04 0.00 0.00 177.00 177.86 1kfg s ALA 487 N -2.60 3.46 0.08 8.56 0.00 -1.21 -4.89 121.76 125.15 1kfg s ALA 487 Ca 0.57 1.54 -0.26 0.00 0.00 0.00 0.00 51.96 53.82 1kfg s ALA 487 Cb -0.10 -3.61 0.08 0.00 0.00 0.00 0.00 23.12 19.50 1kfg s ALA 487 CO 0.36 -1.11 0.69 -0.98 0.00 0.00 0.00 175.76 174.72 1kfg s ARG 488 N -2.22 1.12 0.11 0.00 1.70 -1.26 -4.77 118.95 113.62 1kfg s ARG 488 Ca 0.56 -0.29 -0.30 0.00 -0.47 0.00 0.00 55.73 55.23 1kfg s ARG 488 Cb -0.46 0.52 -0.06 0.00 -0.57 0.00 0.00 34.95 34.38 1kfg s ARG 488 CO 0.61 -0.46 1.13 0.08 -1.08 0.00 0.00 175.30 175.58 1kfg s VAL 489 N -3.08 4.05 -0.60 4.99 1.01 -1.26 -4.39 120.40 121.11 1kfg s VAL 489 Ca -0.00 1.59 -0.02 0.00 0.00 0.00 0.00 61.98 63.55 1kfg s VAL 489 Cb -0.01 -4.01 0.15 0.00 0.00 0.00 0.00 36.38 32.51 1kfg s VAL 489 CO -0.08 0.19 0.40 0.42 0.00 0.00 0.00 175.10 176.03 1kfg s THR 490 N 0.49 3.51 -1.41 3.92 -4.23 0.08 -4.91 115.64 113.09 1kfg s THR 490 Ca 0.54 -2.97 0.19 0.00 -1.18 0.00 0.00 61.69 58.27 1kfg s THR 490 Cb -0.29 -3.32 0.63 0.00 1.34 0.00 0.00 72.50 70.87 1kfg s THR 490 CO 0.32 -0.86 1.54 -0.90 -0.54 0.00 0.00 174.62 174.18 1kfg n ASP 491 N 3.48 4.18 -1.65 3.99 5.75 -1.26 -4.05 116.55 126.99 1kfg n ASP 491 Ca 0.07 -2.23 -0.02 0.00 -0.01 0.00 0.00 54.79 52.60 1kfg n ASP 491 Cb 0.37 -0.50 0.08 0.00 -1.03 0.00 0.00 41.12 40.04 1kfg n ASP 491 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1kfg n LYS 492 N 1.21 1.52 -3.26 0.11 5.02 -1.26 -0.80 118.16 120.70 1kfg n LYS 492 Ca 0.23 -3.11 -0.35 0.00 -2.02 0.00 0.00 58.31 53.06 1kfg n LYS 492 Cb 0.72 -1.24 -0.06 0.00 -0.02 0.00 0.00 35.03 34.43 1kfg n LYS 492 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1kfg s ILE 493 N -2.62 4.76 0.21 -0.18 -1.09 -1.26 -0.51 121.20 120.51 1kfg s ILE 493 Ca 0.37 0.95 -0.16 0.00 -2.23 0.00 0.00 60.65 59.57 1kfg s ILE 493 Cb 0.37 -3.75 0.02 0.00 -1.58 0.00 0.00 42.46 37.52 1kfg s ILE 493 CO -0.07 0.17 0.52 -0.94 -1.23 0.00 0.00 174.94 173.39 1kfg s SER 494 N -1.80 -0.20 0.09 3.58 1.04 -0.40 -0.54 113.70 115.46 1kfg s SER 494 Ca 0.42 -0.62 -0.09 0.00 0.48 0.00 0.00 55.95 56.14 1kfg s SER 494 Cb -0.15 0.59 -0.00 0.00 0.10 0.00 0.00 66.02 66.56 1kfg s SER 494 CO 0.20 -1.10 0.19 0.72 0.98 0.00 0.00 173.24 174.24 1kfg s PHE 495 N -3.92 0.14 -0.03 5.02 -0.12 -0.34 0.15 117.98 118.89 1kfg s PHE 495 Ca 0.13 -0.55 0.04 0.00 -0.05 0.00 0.00 56.93 56.50 1kfg s PHE 495 Cb -0.01 -0.05 -0.01 0.00 -0.63 0.00 0.00 43.02 42.32 1kfg s PHE 495 CO 0.01 -0.54 -0.16 0.15 -0.05 0.00 0.00 175.22 174.63 1kfg s LYS 496 N -3.77 1.47 -0.29 1.99 1.02 -0.81 -0.97 119.74 118.38 1kfg s LYS 496 Ca 0.04 -0.56 -0.03 0.00 0.02 0.00 0.00 55.97 55.44 1kfg s LYS 496 Cb 0.04 -1.35 0.03 0.00 -0.52 0.00 0.00 37.83 36.04 1kfg s LYS 496 CO -0.11 0.28 0.01 -0.47 -0.92 0.00 0.00 175.35 174.15 1kfg s TYR 497 N -0.14 3.18 -0.01 3.18 5.04 -0.75 -3.71 117.35 124.14 1kfg s TYR 497 Ca 0.01 -1.56 -0.14 0.00 -2.44 0.00 0.00 57.07 52.94 1kfg s TYR 497 Cb -0.09 -2.14 -0.06 0.00 0.35 0.00 0.00 41.96 40.02 1kfg s TYR 497 CO 0.01 -0.73 0.39 -0.06 -1.34 0.00 0.00 175.55 173.82 1kfg s PHE 498 N 1.34 3.71 0.06 4.97 0.40 -1.26 -1.68 117.98 125.52 1kfg s PHE 498 Ca -0.02 0.96 0.03 0.00 -0.60 0.00 0.00 56.93 57.30 1kfg s PHE 498 Cb -0.18 -2.28 -0.03 0.00 0.51 0.00 0.00 43.02 41.04 1kfg s PHE 498 CO -0.01 0.62 -0.09 -1.64 0.70 0.00 0.00 175.22 174.80 1kfg s MET 499 N -0.97 0.65 -0.37 0.44 -1.94 -0.21 -1.91 119.30 114.99 1kfg s MET 499 Ca 0.23 -0.91 -0.13 0.00 -1.71 0.00 0.00 55.69 53.17 1kfg s MET 499 Cb -0.16 -0.38 0.00 0.00 2.01 0.00 0.00 34.83 36.30 1kfg s MET 499 CO 0.13 0.06 0.25 0.34 -0.01 0.00 0.00 175.02 175.78 1kfg s ASP 500 N -1.90 5.97 -0.40 3.03 -1.08 -1.25 -1.20 116.67 119.84 1kfg s ASP 500 Ca -0.04 -0.68 0.06 0.00 -0.52 0.00 0.00 52.55 51.36 1kfg s ASP 500 Cb -0.07 -2.11 0.61 0.00 -1.46 0.00 0.00 42.92 39.89 1kfg s ASP 500 CO -0.00 -0.33 1.77 0.18 0.52 0.00 0.00 175.17 177.31 1kfg n LEU 501 N 5.09 5.86 -0.23 -1.34 4.77 0.12 -4.64 117.00 126.63 1kfg n LEU 501 Ca -0.12 -3.68 0.10 0.00 -0.03 0.00 0.00 56.01 52.28 1kfg n LEU 501 Cb 0.48 -0.77 0.37 0.00 -2.33 0.00 0.00 43.42 41.17 1kfg n LEU 501 CO 0.38 1.13 1.22 0.77 -1.33 0.00 0.00 177.39 179.56 1kfg h SER 502 N 1.00 0.65 0.33 -1.43 4.64 -1.90 -0.25 113.55 116.60 1kfg h SER 502 Ca 0.50 0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.78 1kfg h SER 502 Cb 2.46 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 64.43 1kfg h SER 502 CO 0.86 0.37 -0.32 1.05 -0.87 0.00 0.00 176.83 177.93 1kfg h GLU 503 N 0.71 0.00 0.07 4.77 9.09 -1.90 -0.07 114.58 127.25 1kfg h GLU 503 Ca 0.39 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.80 1kfg h GLU 503 Cb 0.53 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.63 1kfg h GLU 503 CO -0.16 0.32 -0.03 0.82 0.05 0.00 0.00 179.01 180.01 1kfg h ILE 504 N 0.00 1.23 -0.70 -1.06 1.08 -1.40 -1.69 117.51 114.98 1kfg h ILE 504 Ca -0.00 -1.19 0.10 0.00 -0.39 0.00 0.00 64.86 63.38 1kfg h ILE 504 Cb 0.57 1.99 -0.08 0.00 -3.07 0.00 0.00 36.82 36.23 1kfg h ILE 504 CO 0.04 0.29 0.32 0.58 -0.69 0.00 0.00 178.15 178.69 1kfg h VAL 505 N -0.64 0.79 0.00 1.67 2.07 -1.22 0.57 116.25 119.49 1kfg h VAL 505 Ca -0.01 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1kfg h VAL 505 Cb 0.54 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1kfg h VAL 505 CO 0.01 0.10 -0.07 0.00 0.02 0.00 0.00 177.57 177.63 1kfg h ALA 506 N 1.45 1.24 -0.01 1.67 0.00 -0.90 -1.32 119.26 121.39 1kfg h ALA 506 Ca 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1kfg h ALA 506 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1kfg h ALA 506 CO -0.30 0.09 -0.06 0.00 0.00 0.00 0.00 179.25 178.97 1kfg n ALA 507 N -2.23 2.71 -1.65 0.00 0.00 0.15 -4.90 120.51 114.58 1kfg n ALA 507 Ca -0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 53.44 53.06 1kfg n ALA 507 Cb 0.19 -1.27 -0.00 0.00 0.00 0.00 0.00 19.45 18.37 1kfg n ALA 507 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfg n GLY 508 N 1.19 0.38 3.51 0.00 0.00 -0.50 -5.05 105.19 104.72 1kfg n GLY 508 Ca 0.18 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 1kfg n GLY 508 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kfg s ILE 509 N -2.07 3.01 -0.27 -0.61 -1.09 -0.96 -5.05 121.20 114.16 1kfg s ILE 509 Ca 0.00 -1.33 -0.27 0.00 -2.23 0.00 0.00 60.65 56.83 1kfg s ILE 509 Cb 0.00 -2.36 0.01 0.00 -1.58 0.00 0.00 42.46 38.53 1kfg s ILE 509 CO 0.00 0.18 0.94 -0.62 -1.23 0.00 0.00 174.94 174.21 1kfg s ASP 510 N -1.95 6.91 0.43 3.58 -1.08 -1.26 -3.88 116.67 119.43 1kfg s ASP 510 Ca 0.18 1.09 0.16 0.00 -0.52 0.00 0.00 52.55 53.46 1kfg s ASP 510 Cb -0.11 -2.49 1.07 0.00 -1.46 0.00 0.00 42.92 39.94 1kfg s ASP 510 CO 0.10 -0.66 1.93 -0.65 0.52 0.00 0.00 175.17 176.41 1kfg h PRO 511 N 7.77 0.38 0.00 4.34 0.11 -1.92 0.15 132.00 142.82 1kfg h PRO 511 Ca -0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1kfg h PRO 511 Cb 1.08 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1kfg h PRO 511 CO 0.94 0.25 0.00 1.28 -0.21 0.00 0.00 178.00 180.26 1kfg n LEU 512 N -4.47 0.00 0.00 2.35 4.77 -1.26 -2.44 117.00 115.95 1kfg n LEU 512 Ca 0.13 0.46 0.11 0.00 -0.03 0.00 0.00 56.01 56.69 1kfg n LEU 512 Cb 0.51 -0.46 0.14 0.00 -2.33 0.00 0.00 43.42 41.28 1kfg n LEU 512 CO 0.33 -0.21 0.30 -1.20 -1.33 0.00 0.00 177.39 175.28 1kfg n SER 513 N -1.46 0.64 -4.70 -1.43 7.64 0.52 -4.62 113.62 110.21 1kfg n SER 513 Ca 0.04 -0.44 -0.36 0.00 1.01 0.00 0.00 58.87 59.12 1kfg n SER 513 Cb 0.17 0.47 0.08 0.00 -1.01 0.00 0.00 64.21 63.92 1kfg n SER 513 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1kfg n LEU 514 N -1.53 5.28 -4.68 -3.43 4.77 -1.02 -4.95 117.00 111.44 1kfg n LEU 514 Ca 0.05 0.77 -0.37 0.00 -0.03 0.00 0.00 56.01 56.43 1kfg n LEU 514 Cb 0.34 -1.52 -0.09 0.00 -2.33 0.00 0.00 43.42 39.83 1kfg n LEU 514 CO 0.37 -1.32 -0.10 -0.69 -1.33 0.00 0.00 177.39 174.33 1kfg s VAL 515 N -1.56 5.32 0.07 4.08 1.01 -1.00 -4.55 120.40 123.77 1kfg s VAL 515 Ca 0.80 0.34 0.04 0.00 0.00 0.00 0.00 61.98 63.15 1kfg s VAL 515 Cb -0.37 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1kfg s VAL 515 CO 0.44 0.34 0.02 0.42 0.00 0.00 0.00 175.10 176.31 1kfg s THR 516 N 0.99 4.19 0.33 3.92 -4.23 -1.26 -1.37 115.64 118.21 1kfg s THR 516 Ca 0.11 -0.84 -0.14 0.00 -1.18 0.00 0.00 61.69 59.63 1kfg s THR 516 Cb -0.13 -2.97 0.03 0.00 1.34 0.00 0.00 72.50 70.76 1kfg s THR 516 CO 0.04 0.18 0.67 -0.94 -0.54 0.00 0.00 174.62 174.03 1kfg s SER 517 N -2.16 0.07 -0.08 3.99 1.04 -0.25 -4.95 113.70 111.36 1kfg s SER 517 Ca 0.25 -1.03 -0.03 0.00 0.48 0.00 0.00 55.95 55.62 1kfg s SER 517 Cb -0.12 0.75 0.05 0.00 0.10 0.00 0.00 66.02 66.79 1kfg s SER 517 CO 0.17 -1.45 0.15 -0.55 0.98 0.00 0.00 173.24 172.55 1kfg s SER 518 N -3.05 0.78 0.03 7.02 0.15 -1.26 0.22 113.70 117.59 1kfg s SER 518 Ca 0.18 0.31 -0.15 0.00 0.70 0.00 0.00 55.95 57.00 1kfg s SER 518 Cb -0.04 0.24 -0.35 0.00 -1.71 0.00 0.00 66.02 64.16 1kfg s SER 518 CO 0.11 -0.25 1.01 0.78 1.20 0.00 0.00 173.24 176.09 1kfg h ASN 519 N 8.37 0.81 -4.48 5.45 2.35 -1.94 -3.47 115.58 122.66 1kfg h ASN 519 Ca -0.13 -0.87 -0.29 0.00 -0.55 0.00 0.00 56.30 54.46 1kfg h ASN 519 Cb 1.12 -0.26 -0.24 0.00 0.05 0.00 0.00 38.32 38.99 1kfg h ASN 519 CO 0.14 1.68 -0.74 -0.47 -1.65 0.00 0.00 177.43 176.39 1kfg s TYR 520 N -2.61 0.61 -0.21 1.19 5.04 -1.26 -5.06 117.35 115.06 1kfg s TYR 520 Ca -0.09 -0.36 -0.10 0.00 -2.44 0.00 0.00 57.07 54.08 1kfg s TYR 520 Cb 0.04 -0.37 0.07 0.00 0.35 0.00 0.00 41.96 42.05 1kfg s TYR 520 CO 0.94 -0.06 0.49 0.45 -1.34 0.00 0.00 175.55 176.03 1kfg s SER 521 N -1.10 -0.61 -0.05 4.32 0.15 -1.26 -1.13 113.70 114.02 1kfg s SER 521 Ca -0.06 1.10 -0.25 0.00 0.70 0.00 0.00 55.95 57.44 1kfg s SER 521 Cb -0.07 1.11 -0.23 0.00 -1.71 0.00 0.00 66.02 65.12 1kfg s SER 521 CO 0.00 -0.21 1.06 -0.08 1.20 0.00 0.00 173.24 175.21 1kfg h GLU 522 N 7.33 0.11 -6.43 5.44 4.81 -1.20 -3.45 114.58 121.19 1kfg h GLU 522 Ca -0.30 -0.10 -0.54 0.00 -0.13 0.00 0.00 59.36 58.28 1kfg h GLU 522 Cb 1.18 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 1kfg h GLU 522 CO 0.22 0.82 0.02 0.20 -0.73 0.00 0.00 179.01 179.54 1kfg s GLY 523 N -3.76 2.58 0.10 1.92 0.00 -1.26 -4.97 107.32 101.94 1kfg s GLY 523 Ca -0.16 0.05 0.23 0.00 0.00 0.00 0.00 44.72 44.84 1kfg s GLY 523 CO 0.72 0.39 1.71 0.58 0.00 0.00 0.00 173.10 176.50 1kfg n LYS 524 N 0.92 0.10 -0.03 2.90 2.85 -1.26 -2.90 118.16 120.73 1kfg n LYS 524 Ca -0.05 0.21 0.11 0.00 -1.05 0.00 0.00 58.31 57.54 1kfg n LYS 524 Cb 0.51 -1.65 0.11 0.00 -0.65 0.00 0.00 35.03 33.36 1kfg n LYS 524 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1kfg n ASN 525 N -1.82 2.96 -4.66 -5.58 5.03 -1.26 -4.97 115.26 104.95 1kfg n ASN 525 Ca 0.05 -1.94 -0.44 0.00 0.87 0.00 0.00 54.58 53.11 1kfg n ASN 525 Cb 0.28 -0.04 -0.04 0.00 -1.02 0.00 0.00 39.78 38.97 1kfg n ASN 525 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1kfg n THR 526 N 1.29 0.68 -4.07 3.41 -1.04 -1.14 -4.74 114.28 108.67 1kfg n THR 526 Ca 0.14 -0.15 -0.32 0.00 -2.04 0.00 0.00 64.05 61.68 1kfg n THR 526 Cb 0.57 -2.20 -0.16 0.00 -1.82 0.00 0.00 70.33 66.72 1kfg n THR 526 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1kfg s LYS 527 N 4.53 2.60 -0.30 -2.82 1.02 -0.69 -4.99 119.74 119.08 1kfg s LYS 527 Ca 0.91 -0.76 -0.11 0.00 0.02 0.00 0.00 55.97 56.03 1kfg s LYS 527 Cb -0.51 -2.40 -0.03 0.00 -0.52 0.00 0.00 37.83 34.37 1kfg s LYS 527 CO 0.45 -0.26 0.18 0.08 -0.92 0.00 0.00 175.35 174.88 1kfg s VAL 528 N 1.36 5.03 0.99 3.17 1.01 -1.26 -1.32 120.40 129.37 1kfg s VAL 528 Ca 0.04 -0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.76 1kfg s VAL 528 Cb -0.14 -3.48 0.18 0.00 0.00 0.00 0.00 36.38 32.94 1kfg s VAL 528 CO -0.11 0.15 1.16 -0.94 0.00 0.00 0.00 175.10 175.35 1kfg s SER 529 N 1.70 2.84 0.81 3.32 1.04 -0.47 -4.95 113.70 117.99 1kfg s SER 529 Ca 0.06 0.81 -0.05 0.00 0.48 0.00 0.00 55.95 57.24 1kfg s SER 529 Cb -0.17 -1.24 0.12 0.00 0.10 0.00 0.00 66.02 64.83 1kfg s SER 529 CO 0.09 -2.95 0.73 0.61 0.98 0.00 0.00 173.24 172.70 1kfg n GLY 530 N -2.10 -0.38 3.72 7.32 0.00 -1.26 -4.68 105.19 107.81 1kfg n GLY 530 Ca 0.09 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1kfg n GLY 530 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kfg s VAL 531 N -2.35 3.06 0.13 1.61 1.01 -1.26 -4.58 120.40 118.02 1kfg s VAL 531 Ca 0.44 0.77 0.10 0.00 0.00 0.00 0.00 61.98 63.29 1kfg s VAL 531 Cb -0.02 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1kfg s VAL 531 CO 0.30 0.06 -0.24 -0.76 0.00 0.00 0.00 175.10 174.47 1kfg s LEU 532 N 1.01 2.33 0.40 3.92 1.43 0.11 -4.71 118.68 123.17 1kfg s LEU 532 Ca 0.66 -0.75 -0.23 0.00 -1.03 0.00 0.00 54.13 52.77 1kfg s LEU 532 Cb -0.39 -1.08 -0.10 0.00 0.03 0.00 0.00 46.19 44.65 1kfg s LEU 532 CO 0.31 0.12 0.99 -2.16 0.23 0.00 0.00 176.35 175.85 1kfg s PRO 533 N -2.12 4.26 0.00 1.29 0.04 -1.26 -0.15 135.00 137.06 1kfg s PRO 533 Ca 0.12 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1kfg s PRO 533 Cb -0.10 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.99 1kfg s PRO 533 CO 0.06 -0.03 0.00 1.87 0.04 0.00 0.00 177.00 178.94 1kfg n TRP 534 N -0.17 -0.01 -3.00 0.56 -0.00 -0.58 -4.77 117.44 109.46 1kfg n TRP 534 Ca 0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.41 1kfg n TRP 534 Cb 0.51 0.20 -0.03 0.00 -0.00 0.00 0.00 31.31 32.00 1kfg n TRP 534 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1kfg n ASP 535 N -2.81 -1.92 0.29 5.87 2.03 -0.50 -5.01 116.55 114.49 1kfg n ASP 535 Ca 0.00 -2.81 0.19 0.00 0.52 0.00 0.00 54.79 52.69 1kfg n ASP 535 Cb 0.30 0.73 0.99 0.00 -0.72 0.00 0.00 41.12 42.42 1kfg n ASP 535 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1kfg h VAL 536 N 3.98 0.22 -0.38 5.18 -1.51 -1.93 -0.94 116.25 120.88 1kfg h VAL 536 Ca 0.08 0.00 0.04 0.00 -1.23 0.00 0.00 66.70 65.58 1kfg h VAL 536 Cb 1.00 0.89 -0.02 0.00 -2.13 0.00 0.00 31.29 31.03 1kfg h VAL 536 CO 0.25 0.00 0.26 0.28 -1.23 0.00 0.00 177.57 177.13 1kfg h SER 537 N 0.00 0.32 -0.25 4.19 0.02 -1.95 -0.61 113.55 115.27 1kfg h SER 537 Ca 0.03 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1kfg h SER 537 Cb 0.27 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1kfg h SER 537 CO -0.00 0.22 -0.00 0.59 -1.14 0.00 0.00 176.83 176.50 1kfg n ASN 538 N -4.48 3.67 -2.71 3.07 3.02 -0.44 -4.96 115.26 112.43 1kfg n ASN 538 Ca 0.04 -3.09 -0.19 0.00 -0.03 0.00 0.00 54.58 51.31 1kfg n ASN 538 Cb 0.18 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 1kfg n ASN 538 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1kfg n ASN 539 N -0.63 -5.13 -4.66 6.41 3.02 -0.24 -4.81 115.26 109.21 1kfg n ASN 539 Ca 0.22 -0.08 -0.38 0.00 -0.03 0.00 0.00 54.58 54.31 1kfg n ASN 539 Cb 0.89 -4.25 -0.08 0.00 -0.61 0.00 0.00 39.78 35.73 1kfg n ASN 539 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1kfg s VAL 540 N -2.95 5.22 0.34 2.41 1.01 -0.70 0.12 120.40 125.86 1kfg s VAL 540 Ca 0.14 0.59 0.04 0.00 0.00 0.00 0.00 61.98 62.75 1kfg s VAL 540 Cb -0.06 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 1kfg s VAL 540 CO 0.17 0.25 0.06 -0.31 0.00 0.00 0.00 175.10 175.27 1kfg s TYR 541 N 1.40 2.00 0.24 5.22 1.51 -0.34 -1.42 117.35 125.96 1kfg s TYR 541 Ca 0.16 -0.96 -0.14 0.00 -1.01 0.00 0.00 57.07 55.13 1kfg s TYR 541 Cb -0.15 -1.33 0.00 0.00 -0.11 0.00 0.00 41.96 40.37 1kfg s TYR 541 CO 0.08 0.03 0.48 1.52 -1.11 0.00 0.00 175.55 176.55 1kfg s TYR 542 N -3.22 0.27 -0.13 2.71 -0.85 0.79 -1.04 117.35 115.88 1kfg s TYR 542 Ca 0.35 -0.63 0.02 0.00 -0.52 0.00 0.00 57.07 56.29 1kfg s TYR 542 Cb 0.08 0.23 0.00 0.00 0.38 0.00 0.00 41.96 42.65 1kfg s TYR 542 CO 0.15 -0.98 -0.21 0.14 -1.52 0.00 0.00 175.55 173.14 1kfg s VAL 543 N -3.99 2.27 -0.19 -3.49 -7.23 -0.68 -0.71 120.40 106.39 1kfg s VAL 543 Ca 0.20 -0.93 -0.12 0.00 -1.81 0.00 0.00 61.98 59.32 1kfg s VAL 543 Cb -0.01 -1.91 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 1kfg s VAL 543 CO 0.07 0.54 0.24 0.21 -0.31 0.00 0.00 175.10 175.85 1kfg s ASN 544 N 0.58 6.31 -0.25 4.85 3.84 -1.26 -1.82 114.94 127.20 1kfg s ASN 544 Ca -0.12 0.36 -0.01 0.00 0.21 0.00 0.00 52.86 53.30 1kfg s ASN 544 Cb -0.16 -2.15 0.03 0.00 -0.55 0.00 0.00 41.25 38.41 1kfg s ASN 544 CO 0.03 0.09 -0.07 -0.69 -2.79 0.00 0.00 177.10 173.68 1kfg s VAL 545 N 0.66 2.78 -0.21 -5.21 1.01 -0.14 -1.37 120.40 117.92 1kfg s VAL 545 Ca 0.13 -1.08 -0.10 0.00 0.00 0.00 0.00 61.98 60.93 1kfg s VAL 545 Cb -0.13 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1kfg s VAL 545 CO 0.03 0.19 0.13 -0.62 0.00 0.00 0.00 175.10 174.83 1kfg s ASP 546 N 1.30 6.17 0.00 3.32 2.15 -0.44 -1.20 116.67 127.98 1kfg s ASP 546 Ca -0.00 0.20 0.06 0.00 0.43 0.00 0.00 52.55 53.24 1kfg s ASP 546 Cb -0.17 -2.09 0.17 0.00 -0.30 0.00 0.00 42.92 40.54 1kfg s ASP 546 CO -0.05 0.15 1.13 0.18 -0.17 0.00 0.00 175.17 176.42 1kfg n LEU 547 N 3.69 2.51 -4.64 -1.34 4.77 0.30 -1.70 117.00 120.58 1kfg n LEU 547 Ca -0.16 -1.97 -0.45 0.00 -0.03 0.00 0.00 56.01 53.40 1kfg n LEU 547 Cb 0.52 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 1kfg n LEU 547 CO 0.37 0.62 0.82 0.41 -1.33 0.00 0.00 177.39 178.28 1kfg n THR 548 N 0.09 1.38 0.00 -5.08 -1.04 -1.16 -1.36 114.28 107.11 1kfg n THR 548 Ca 0.07 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1kfg n THR 548 Cb 0.35 -1.24 0.00 0.00 -1.82 0.00 0.00 70.33 67.62 1kfg n THR 548 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1kfg n GLY 549 N 1.65 3.37 3.74 3.41 0.00 0.02 -4.87 105.19 112.52 1kfg n GLY 549 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1kfg n GLY 549 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kfg s GLU 550 N -0.76 4.45 -1.37 1.61 0.41 -0.46 -4.92 118.70 117.66 1kfg s GLU 550 Ca 0.00 1.93 -0.09 0.00 -0.41 0.00 0.00 54.97 56.40 1kfg s GLU 550 Cb 0.00 -3.23 0.09 0.00 -1.78 0.00 0.00 34.13 29.21 1kfg s GLU 550 CO 0.00 -0.15 2.27 -1.71 -0.49 0.00 0.00 175.26 175.18 1kfg n ASN 551 N 2.62 6.58 -4.68 -0.19 4.05 -1.26 -3.99 115.26 118.39 1kfg n ASN 551 Ca 0.05 -3.01 -0.42 0.00 0.45 0.00 0.00 54.58 51.65 1kfg n ASN 551 Cb 0.44 -1.47 -0.03 0.00 1.23 0.00 0.00 39.78 39.95 1kfg n ASN 551 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1kfg s ILE 552 N 0.45 4.80 0.02 -1.44 1.01 -1.26 -4.94 121.20 119.85 1kfg s ILE 552 Ca 0.50 1.90 -0.11 0.00 0.00 0.00 0.00 60.65 62.94 1kfg s ILE 552 Cb 0.15 -4.25 0.01 0.00 0.01 0.00 0.00 42.46 38.38 1kfg s ILE 552 CO -0.05 -0.02 0.23 -0.72 0.00 0.00 0.00 174.94 174.38 1kfg s TYR 553 N 2.26 -0.02 -1.19 3.97 -0.85 -0.86 -0.74 117.35 119.91 1kfg s TYR 553 Ca 0.44 -0.10 -0.14 0.00 -0.52 0.00 0.00 57.07 56.75 1kfg s TYR 553 Cb -0.17 0.02 -0.06 0.00 0.38 0.00 0.00 41.96 42.13 1kfg s TYR 553 CO 0.14 -0.41 2.25 -0.35 -1.52 0.00 0.00 175.55 175.65 1kfg n PRO 554 N 0.90 2.46 -1.89 -3.49 -0.04 -1.26 -2.34 135.00 129.34 1kfg n PRO 554 Ca -0.20 -2.10 0.00 0.00 -0.04 0.00 0.00 63.50 61.17 1kfg n PRO 554 Cb 0.58 -2.94 0.02 0.00 -0.04 0.00 0.00 33.50 31.12 1kfg n PRO 554 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kfg n GLY 555 N 4.08 1.23 0.00 0.55 0.00 -1.14 -4.27 105.19 105.63 1kfg n GLY 555 Ca 0.55 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1kfg n GLY 555 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfg n GLY 556 N -0.09 3.25 0.23 -0.02 0.00 -0.99 -4.37 105.19 103.20 1kfg n GLY 556 Ca -0.02 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 44.98 1kfg n GLY 556 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1kfg h GLN 557 N 0.00 0.74 0.20 1.61 4.20 -1.80 -1.98 115.11 118.07 1kfg h GLN 557 Ca 0.00 -0.15 -0.32 0.00 0.06 0.00 0.00 58.65 58.24 1kfg h GLN 557 Cb 0.00 -0.11 0.02 0.00 0.30 0.00 0.00 27.48 27.69 1kfg h GLN 557 CO 0.00 0.68 -1.47 0.77 -0.67 0.00 0.00 178.83 178.14 1kfg h SER 558 N 0.65 0.66 -1.00 1.46 0.02 -1.94 -3.36 113.55 110.03 1kfg h SER 558 Ca 0.16 -0.76 0.07 0.00 -0.84 0.00 0.00 61.79 60.42 1kfg h SER 558 Cb 0.23 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 62.49 1kfg h SER 558 CO -0.01 1.60 0.65 0.00 -1.14 0.00 0.00 176.83 177.93 1kfg h ALA 559 N 0.30 1.40 -0.00 3.77 0.00 -1.83 -2.70 119.26 120.20 1kfg h ALA 559 Ca -0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1kfg h ALA 559 Cb 2.10 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1kfg h ALA 559 CO 0.23 0.42 -0.06 0.00 0.00 0.00 0.00 179.25 179.85 1kfg s ARG 561 N -2.59 1.14 -0.11 0.00 1.70 -1.02 0.99 118.95 119.06 1kfg s ARG 561 Ca 0.27 -1.52 -0.04 0.00 -0.47 0.00 0.00 55.73 53.97 1kfg s ARG 561 Cb 0.20 -0.55 0.05 0.00 -0.57 0.00 0.00 34.95 34.08 1kfg s ARG 561 CO 0.48 -0.01 0.16 1.03 -1.08 0.00 0.00 175.30 175.89 1kfg s ARG 562 N -3.81 0.06 0.01 3.89 1.81 -0.65 -4.92 118.95 115.33 1kfg s ARG 562 Ca 0.21 0.45 -0.14 0.00 -1.72 0.00 0.00 55.73 54.53 1kfg s ARG 562 Cb 0.04 -0.55 -0.06 0.00 -0.45 0.00 0.00 34.95 33.94 1kfg s ARG 562 CO 0.03 -0.39 0.40 -2.00 -0.68 0.00 0.00 175.30 172.66 1kfg s GLU 563 N 2.28 3.88 -0.05 3.54 2.12 -1.26 -1.51 118.70 127.70 1kfg s GLU 563 Ca 0.04 0.37 -0.02 0.00 0.36 0.00 0.00 54.97 55.71 1kfg s GLU 563 Cb -0.13 -3.19 0.04 0.00 0.26 0.00 0.00 34.13 31.11 1kfg s GLU 563 CO -0.07 0.68 0.10 0.08 -0.54 0.00 0.00 175.26 175.51 1kfg s VAL 564 N -1.12 -0.10 -0.17 3.70 1.01 0.62 -0.56 120.40 123.79 1kfg s VAL 564 Ca 0.25 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 1kfg s VAL 564 Cb -0.16 -0.19 -0.00 0.00 0.00 0.00 0.00 36.38 36.03 1kfg s VAL 564 CO 0.14 0.10 -0.13 -1.10 0.00 0.00 0.00 175.10 174.11 1kfg s GLN 565 N 1.46 3.24 0.06 2.72 -0.21 -0.28 -0.61 119.66 126.03 1kfg s GLN 565 Ca -0.05 -0.72 0.01 0.00 0.02 0.00 0.00 55.36 54.61 1kfg s GLN 565 Cb -0.12 -2.71 -0.03 0.00 1.00 0.00 0.00 33.01 31.14 1kfg s GLN 565 CO -0.05 -0.05 -0.06 -0.59 -2.12 0.00 0.00 175.29 172.42 1kfg s PHE 566 N 1.01 0.68 0.05 0.91 -0.12 0.14 -3.40 117.98 117.24 1kfg s PHE 566 Ca -0.01 -0.74 0.04 0.00 -0.05 0.00 0.00 56.93 56.16 1kfg s PHE 566 Cb -0.15 -0.42 -0.02 0.00 -0.63 0.00 0.00 43.02 41.80 1kfg s PHE 566 CO -0.03 -0.17 -0.12 0.50 -0.05 0.00 0.00 175.22 175.36 1kfg s ARG 567 N -2.75 0.73 -0.06 1.99 3.52 0.13 0.48 118.95 123.00 1kfg s ARG 567 Ca -0.00 -0.78 0.03 0.00 -0.13 0.00 0.00 55.73 54.85 1kfg s ARG 567 Cb -0.02 -0.67 0.00 0.00 -1.56 0.00 0.00 34.95 32.71 1kfg s ARG 567 CO -0.03 0.15 -0.15 0.42 -0.81 0.00 0.00 175.30 174.88 1kfg s ILE 568 N -1.10 1.33 -0.03 4.11 1.09 -0.73 -1.09 121.20 124.79 1kfg s ILE 568 Ca -0.03 -0.63 -0.04 0.00 -1.10 0.00 0.00 60.65 58.85 1kfg s ILE 568 Cb -0.09 -1.17 0.01 0.00 -1.06 0.00 0.00 42.46 40.15 1kfg s ILE 568 CO 0.01 0.39 0.10 0.00 -0.10 0.00 0.00 174.94 175.35 1kfg s ALA 569 N 0.33 -0.25 0.66 9.38 0.00 -0.47 -2.12 121.76 129.29 1kfg s ALA 569 Ca -0.10 0.12 -0.03 0.00 0.00 0.00 0.00 51.96 51.95 1kfg s ALA 569 Cb -0.14 -0.08 0.07 0.00 0.00 0.00 0.00 23.12 22.97 1kfg s ALA 569 CO 0.03 -0.10 0.94 0.00 0.00 0.00 0.00 175.76 176.63 1kfg s ALA 570 N -0.43 3.50 0.31 0.00 0.00 0.13 -2.36 121.76 122.91 1kfg s ALA 570 Ca -0.05 -1.26 -0.28 0.00 0.00 0.00 0.00 51.96 50.37 1kfg s ALA 570 Cb -0.03 -2.29 -0.13 0.00 0.00 0.00 0.00 23.12 20.66 1kfg s ALA 570 CO 0.00 -1.18 1.12 -2.30 0.00 0.00 0.00 175.76 173.40 1kfg n PRO 571 N -2.73 1.65 -1.62 0.00 -0.02 -1.26 -4.85 135.00 126.17 1kfg n PRO 571 Ca 0.10 0.58 -0.37 0.00 -2.02 0.00 0.00 63.50 61.79 1kfg n PRO 571 Cb 0.60 -2.03 0.07 0.00 -0.02 0.00 0.00 33.50 32.12 1kfg n PRO 571 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kfg n GLN 572 N 0.67 0.92 0.00 -0.52 10.64 -1.26 -2.14 117.38 125.69 1kfg n GLN 572 Ca 0.08 0.37 0.00 0.00 -1.83 0.00 0.00 57.00 55.62 1kfg n GLN 572 Cb 0.33 -2.39 0.00 0.00 -0.86 0.00 0.00 30.24 27.33 1kfg n GLN 572 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1kfg n GLY 573 N 1.03 2.89 3.81 2.61 0.00 -1.26 -5.01 105.19 109.27 1kfg n GLY 573 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1kfg n GLY 573 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kfg s THR 574 N -1.00 3.98 -0.03 2.61 -4.23 -0.91 -5.00 115.64 111.06 1kfg s THR 574 Ca 0.00 0.80 0.04 0.00 -1.18 0.00 0.00 61.69 61.35 1kfg s THR 574 Cb 0.00 -3.43 0.06 0.00 1.34 0.00 0.00 72.50 70.48 1kfg s THR 574 CO 0.00 -0.68 0.90 0.35 -0.54 0.00 0.00 174.62 174.65 1kfg n THR 575 N -2.47 0.58 0.79 3.99 -2.24 -1.26 -4.16 114.28 109.50 1kfg n THR 575 Ca 0.08 -0.66 0.12 0.00 -2.27 0.00 0.00 64.05 61.31 1kfg n THR 575 Cb 0.53 0.47 0.13 0.00 -2.10 0.00 0.00 70.33 69.36 1kfg n THR 575 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kfg n TYR 576 N -0.40 0.18 -1.67 4.78 0.18 -1.26 -4.92 117.16 114.06 1kfg n TYR 576 Ca 0.03 0.05 -0.49 0.00 1.88 0.00 0.00 57.90 59.38 1kfg n TYR 576 Cb 0.56 -0.35 -0.05 0.00 -0.38 0.00 0.00 39.34 39.11 1kfg n TYR 576 CO 0.00 0.00 0.00 1.87 -2.08 0.00 0.00 176.86 176.65 1kfg n TRP 577 N -1.75 2.16 -3.79 -3.48 -0.00 -1.26 -4.87 117.44 104.46 1kfg n TRP 577 Ca 0.04 0.26 -0.30 0.00 -0.00 0.00 0.00 57.50 57.50 1kfg n TRP 577 Cb 0.38 -2.54 -0.15 0.00 -0.00 0.00 0.00 31.31 29.00 1kfg n TRP 577 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1kfg s ASN 578 N 2.12 4.04 0.50 5.87 2.47 -1.26 -4.89 114.94 123.80 1kfg s ASN 578 Ca 0.86 -1.62 0.31 0.00 0.42 0.00 0.00 52.86 52.83 1kfg s ASN 578 Cb -0.76 -0.97 1.11 0.00 -1.45 0.00 0.00 41.25 39.18 1kfg s ASN 578 CO 0.46 -0.39 1.88 1.55 -3.72 0.00 0.00 177.10 176.88 1kfg h PRO 579 N 8.03 0.00 -0.01 0.43 0.13 -1.94 -3.30 132.00 135.34 1kfg h PRO 579 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1kfg h PRO 579 Cb 1.03 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1kfg h PRO 579 CO 0.46 0.00 0.01 0.87 -0.23 0.00 0.00 178.00 179.11 1kfg h LYS 580 N 0.00 0.00 -0.51 0.86 6.56 -1.96 -1.27 116.57 120.24 1kfg h LYS 580 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1kfg h LYS 580 Cb 0.61 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.27 1kfg h LYS 580 CO 0.00 0.00 0.00 0.27 -2.06 0.00 0.00 179.45 177.66 1kfg n ASN 581 N -4.47 2.87 -4.66 0.86 6.94 -1.24 -4.84 115.26 110.72 1kfg n ASN 581 Ca -0.03 -1.98 -0.40 0.00 -0.02 0.00 0.00 54.58 52.14 1kfg n ASN 581 Cb 0.10 -0.34 -0.06 0.00 -2.36 0.00 0.00 39.78 37.12 1kfg n ASN 581 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1kfg s ASP 582 N -1.06 6.73 0.21 0.53 1.01 -0.48 -3.95 116.67 119.65 1kfg s ASP 582 Ca 0.36 0.89 -0.13 0.00 0.71 0.00 0.00 52.55 54.38 1kfg s ASP 582 Cb 0.19 -2.37 0.25 0.00 1.01 0.00 0.00 42.92 42.00 1kfg s ASP 582 CO 0.25 -0.32 1.63 0.15 0.21 0.00 0.00 175.17 177.09 1kfg h PHE 583 N 7.51 -0.30 0.00 4.23 3.57 -1.85 -1.43 116.94 128.66 1kfg h PHE 583 Ca -0.30 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1kfg h PHE 583 Cb 1.14 0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.11 1kfg h PHE 583 CO 0.72 -0.26 0.00 0.43 -2.23 0.00 0.00 178.31 176.97 1kfg n SER 584 N -5.42 0.00 0.05 0.41 7.64 -0.80 -3.20 113.62 112.29 1kfg n SER 584 Ca 0.08 -0.12 0.02 0.00 1.01 0.00 0.00 58.87 59.86 1kfg n SER 584 Cb 0.34 -0.27 -0.06 0.00 -1.01 0.00 0.00 64.21 63.21 1kfg n SER 584 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1kfg h TYR 585 N 0.00 0.00 -2.20 1.43 3.20 -1.48 -3.43 116.97 114.48 1kfg h TYR 585 Ca 0.00 0.00 -0.57 0.00 3.14 0.00 0.00 58.73 61.30 1kfg h TYR 585 Cb 0.23 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.52 1kfg h TYR 585 CO 0.00 0.46 1.14 -3.47 -1.64 0.00 0.00 178.16 174.65 1kfg n ASP 586 N -2.85 3.77 0.00 -2.11 2.03 -1.20 -1.51 116.55 114.68 1kfg n ASP 586 Ca -0.08 0.95 0.00 0.00 0.52 0.00 0.00 54.79 56.18 1kfg n ASP 586 Cb 0.78 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 1kfg n ASP 586 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1kfg n GLY 587 N 4.42 2.03 3.66 0.27 0.00 -1.26 -4.94 105.19 109.37 1kfg n GLY 587 Ca 0.21 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.71 1kfg n GLY 587 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1kfg n LEU 588 N 0.00 2.52 -4.54 0.99 7.94 -0.57 -4.78 117.00 118.55 1kfg n LEU 588 Ca 0.00 1.07 -0.48 0.00 -1.11 0.00 0.00 56.01 55.48 1kfg n LEU 588 Cb 0.00 -1.25 -0.06 0.00 0.53 0.00 0.00 43.42 42.64 1kfg n LEU 588 CO 0.00 -0.50 1.73 -2.65 -1.11 0.00 0.00 177.39 174.86 1kfg n PRO 589 N 4.52 1.55 -0.89 1.96 -0.02 -1.26 -4.76 135.00 136.09 1kfg n PRO 589 Ca 0.22 0.47 -0.24 0.00 -2.02 0.00 0.00 63.50 61.93 1kfg n PRO 589 Cb 0.21 -2.69 -0.05 0.00 -0.02 0.00 0.00 33.50 30.95 1kfg n PRO 589 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1kfg n THR 590 N 6.81 2.90 -3.67 3.45 -2.24 -1.26 0.78 114.28 121.06 1kfg n THR 590 Ca 0.34 -1.68 -0.07 0.00 -2.27 0.00 0.00 64.05 60.37 1kfg n THR 590 Cb 0.30 -2.20 -0.02 0.00 -2.10 0.00 0.00 70.33 66.31 1kfg n THR 590 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1kfg s THR 591 N 2.62 0.00 -1.54 4.28 2.01 -1.23 -4.84 115.64 116.94 1kfg s THR 591 Ca 0.50 -0.50 0.25 0.00 0.31 0.00 0.00 61.69 62.26 1kfg s THR 591 Cb 0.15 -1.60 0.50 0.00 0.01 0.00 0.00 72.50 71.56 1kfg s THR 591 CO -0.03 0.00 1.85 -0.24 -0.69 0.00 0.00 174.62 175.51 1kfg n SER 592 N -0.41 0.00 -4.55 3.53 2.88 -1.11 -1.01 113.62 112.96 1kfg n SER 592 Ca -0.08 -0.22 -0.43 0.00 -1.33 0.00 0.00 58.87 56.81 1kfg n SER 592 Cb 0.61 -0.23 -0.05 0.00 -0.75 0.00 0.00 64.21 63.79 1kfg n SER 592 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1kfg s THR 593 N -2.46 4.61 0.52 2.46 -4.23 -1.26 -4.89 115.64 110.39 1kfg s THR 593 Ca 0.27 0.50 -0.17 0.00 -1.18 0.00 0.00 61.69 61.11 1kfg s THR 593 Cb 0.17 -4.35 -0.07 0.00 1.34 0.00 0.00 72.50 69.59 1kfg s THR 593 CO 0.36 -0.75 1.00 0.68 -0.54 0.00 0.00 174.62 175.38 1kfg s VAL 594 N 3.40 4.33 0.04 2.29 -7.23 -1.26 -4.67 120.40 117.29 1kfg s VAL 594 Ca 0.31 1.16 -0.05 0.00 -1.81 0.00 0.00 61.98 61.60 1kfg s VAL 594 Cb -0.12 -3.62 -0.01 0.00 0.56 0.00 0.00 36.38 33.19 1kfg s VAL 594 CO 0.24 -0.59 0.08 0.21 -0.31 0.00 0.00 175.10 174.72 1kfg s ASN 595 N -2.87 0.21 0.08 4.85 2.47 -0.42 -4.79 114.94 114.48 1kfg s ASN 595 Ca 0.61 -0.58 -0.34 0.00 0.42 0.00 0.00 52.86 52.96 1kfg s ASN 595 Cb -0.11 0.22 -0.13 0.00 -1.45 0.00 0.00 41.25 39.77 1kfg s ASN 595 CO 0.30 -0.51 1.66 0.41 -3.72 0.00 0.00 177.10 175.24 1kfg n THR 596 N 0.73 0.18 -4.33 -5.21 -1.04 -1.26 -0.43 114.28 102.91 1kfg n THR 596 Ca -0.19 -0.03 -0.25 0.00 -2.04 0.00 0.00 64.05 61.54 1kfg n THR 596 Cb 0.59 -1.62 -0.12 0.00 -1.82 0.00 0.00 70.33 67.36 1kfg n THR 596 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1kfg s VAL 597 N 1.86 1.90 -0.74 12.58 0.11 -0.85 -4.87 120.40 130.39 1kfg s VAL 597 Ca 0.83 -1.71 0.07 0.00 -2.93 0.00 0.00 61.98 58.25 1kfg s VAL 597 Cb -0.69 -1.75 0.14 0.00 -1.53 0.00 0.00 36.38 32.54 1kfg s VAL 597 CO 0.42 -0.09 0.97 0.35 -3.33 0.00 0.00 175.10 173.42 1kfg n THR 598 N 0.81 0.55 -0.72 5.04 -2.24 -1.26 -4.61 114.28 111.85 1kfg n THR 598 Ca -0.17 -0.77 0.07 0.00 -2.27 0.00 0.00 64.05 60.91 1kfg n THR 598 Cb 0.54 0.80 0.20 0.00 -2.10 0.00 0.00 70.33 69.77 1kfg n THR 598 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1kfg n ASN 599 N 0.28 3.31 -3.43 3.42 0.23 -1.26 -0.22 115.26 117.58 1kfg n ASN 599 Ca 0.06 -2.69 -0.26 0.00 -0.53 0.00 0.00 54.58 51.16 1kfg n ASN 599 Cb 0.28 -0.41 -0.08 0.00 -2.08 0.00 0.00 39.78 37.49 1kfg n ASN 599 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1kfg n ILE 600 N -0.36 1.27 -1.54 1.53 5.41 -1.26 -4.10 119.36 120.31 1kfg n ILE 600 Ca 0.17 -4.76 -0.45 0.00 1.00 0.00 0.00 62.75 58.70 1kfg n ILE 600 Cb 0.69 -2.05 -0.02 0.00 -0.71 0.00 0.00 39.64 37.56 1kfg n ILE 600 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1kfg n PRO 601 N 1.27 0.99 -4.49 0.38 -0.04 -1.24 -4.66 135.00 127.21 1kfg n PRO 601 Ca 0.26 0.35 -0.34 0.00 -0.04 0.00 0.00 63.50 63.73 1kfg n PRO 601 Cb 0.44 -1.62 -0.11 0.00 -0.04 0.00 0.00 33.50 32.16 1kfg n PRO 601 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1kfg s VAL 602 N -1.03 3.93 0.08 0.52 1.01 -0.08 -1.93 120.40 122.90 1kfg s VAL 602 Ca 0.60 -0.38 0.10 0.00 0.00 0.00 0.00 61.98 62.30 1kfg s VAL 602 Cb -0.76 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 1kfg s VAL 602 CO 0.59 0.57 -0.25 -0.31 0.00 0.00 0.00 175.10 175.69 1kfg s TYR 603 N -0.43 2.21 -0.26 5.22 1.51 0.12 -0.37 117.35 125.35 1kfg s TYR 603 Ca 0.07 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.75 1kfg s TYR 603 Cb -0.12 -1.27 0.07 0.00 -0.11 0.00 0.00 41.96 40.52 1kfg s TYR 603 CO 0.02 0.20 -0.06 0.34 -1.11 0.00 0.00 175.55 174.94 1kfg s ASP 604 N -1.56 4.26 -1.31 2.29 -1.08 0.56 -1.27 116.67 118.56 1kfg s ASP 604 Ca 0.12 -1.42 -0.02 0.00 -0.52 0.00 0.00 52.55 50.71 1kfg s ASP 604 Cb -0.10 -1.40 0.01 0.00 -1.46 0.00 0.00 42.92 39.97 1kfg s ASP 604 CO 0.04 -0.24 0.80 -3.20 0.52 0.00 0.00 175.17 173.08 1kfg n ASN 605 N 4.51 -1.82 0.00 -0.34 4.05 0.33 -1.73 115.26 120.25 1kfg n ASN 605 Ca -0.11 -0.77 0.00 0.00 0.45 0.00 0.00 54.58 54.15 1kfg n ASN 605 Cb 0.43 -4.27 0.00 0.00 1.23 0.00 0.00 39.78 37.17 1kfg n ASN 605 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1kfg n GLY 606 N -1.52 2.41 3.66 8.20 0.00 -1.26 -4.98 105.19 111.69 1kfg n GLY 606 Ca -0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 1kfg n GLY 606 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kfg s VAL 607 N -2.38 5.11 0.07 1.61 1.01 -0.71 -4.98 120.40 120.14 1kfg s VAL 607 Ca 0.00 0.92 -0.31 0.00 0.00 0.00 0.00 61.98 62.60 1kfg s VAL 607 Cb 0.00 -3.83 -0.08 0.00 0.00 0.00 0.00 36.38 32.47 1kfg s VAL 607 CO 0.00 0.18 1.62 -0.75 0.00 0.00 0.00 175.10 176.15 1kfg s LYS 608 N 1.62 4.21 0.00 2.72 2.20 -1.26 -0.32 119.74 128.91 1kfg s LYS 608 Ca 0.23 2.29 0.00 0.00 -0.36 0.00 0.00 55.97 58.14 1kfg s LYS 608 Cb -0.15 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.61 1kfg s LYS 608 CO 0.09 -0.70 0.00 1.33 -0.36 0.00 0.00 175.35 175.71 1kfg n VAL 609 N 4.64 0.00 -3.76 4.02 0.24 0.50 -4.91 118.33 119.06 1kfg n VAL 609 Ca 0.15 -0.30 -0.13 0.00 -2.04 0.00 0.00 64.34 62.02 1kfg n VAL 609 Cb 0.41 0.81 -0.10 0.00 -1.47 0.00 0.00 33.84 33.48 1kfg n VAL 609 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1kfg s PHE 610 N -1.37 -0.34 0.00 6.34 5.36 -1.10 -4.93 117.98 121.94 1kfg s PHE 610 Ca 0.00 0.82 0.00 0.00 -0.96 0.00 0.00 56.93 56.79 1kfg s PHE 610 Cb 0.00 0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.80 1kfg s PHE 610 CO 0.00 -0.21 0.00 0.41 -1.46 0.00 0.00 175.22 173.96 1kfg n GLY 611 N 2.67 -0.95 3.42 13.12 0.00 -1.26 -0.90 105.19 121.30 1kfg n GLY 611 Ca -0.14 -1.66 -0.24 0.00 0.00 0.00 0.00 46.02 43.98 1kfg n GLY 611 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kfg s ASN 612 N -1.88 3.29 0.33 1.61 0.01 0.69 -4.85 114.94 114.15 1kfg s ASN 612 Ca 0.00 -0.93 0.07 0.00 -0.71 0.00 0.00 52.86 51.29 1kfg s ASN 612 Cb 0.00 -0.24 -0.03 0.00 0.41 0.00 0.00 41.25 41.39 1kfg s ASN 612 CO 0.00 0.05 0.27 -1.61 -1.51 0.00 0.00 177.10 174.30 1kfg s GLU 613 N -3.05 2.70 0.00 -0.60 2.02 -1.26 -4.08 118.70 114.44 1kfg s GLU 613 Ca 0.23 -1.30 0.16 0.00 0.02 0.00 0.00 54.97 54.08 1kfg s GLU 613 Cb -0.06 -2.45 0.96 0.00 0.10 0.00 0.00 34.13 32.68 1kfg s GLU 613 CO 0.11 0.12 1.37 -0.35 0.02 0.00 0.00 175.26 176.52