#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxc n ASP 3 N 0.00 0.37 0.06 0.00 -0.08 -1.26 -4.90 116.55 110.74 3kxc n ASP 3 Ca 0.00 0.92 0.04 0.00 -1.51 0.00 0.00 54.79 54.24 3kxc n ASP 3 Cb 0.00 -1.28 0.46 0.00 2.34 0.00 0.00 41.12 42.63 3kxc n ASP 3 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 3kxc h GLU 4 N 0.97 0.42 -0.98 -0.67 4.81 -2.02 -2.72 114.58 114.40 3kxc h GLU 4 Ca -0.45 -0.03 0.25 0.00 -0.13 0.00 0.00 59.36 59.00 3kxc h GLU 4 Cb 1.36 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.58 3kxc h GLU 4 CO 0.53 0.30 0.65 0.00 -0.73 0.00 0.00 179.01 179.76 3kxc h ALA 5 N 1.78 2.39 -0.40 2.92 0.00 -2.00 -2.00 119.26 121.95 3kxc h ALA 5 Ca 0.11 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3kxc h ALA 5 Cb -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3kxc h ALA 5 CO -0.02 -0.72 -0.15 -0.07 0.00 0.00 0.00 179.25 178.30 3kxc h LEU 6 N 0.31 0.82 -0.39 0.00 3.38 -1.85 -1.03 115.31 116.55 3kxc h LEU 6 Ca 0.52 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3kxc h LEU 6 Cb 1.46 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 3kxc h LEU 6 CO -0.18 1.02 0.01 0.15 0.09 0.00 0.00 178.44 179.53 3kxc h PHE 7 N 0.61 0.74 -0.41 1.13 3.57 -1.54 -1.29 116.94 119.75 3kxc h PHE 7 Ca 0.09 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.47 3kxc h PHE 7 Cb 0.69 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 3kxc h PHE 7 CO 0.05 0.76 0.26 -0.07 -2.23 0.00 0.00 178.31 177.08 3kxc h LEU 8 N 0.51 0.48 -0.47 0.59 3.38 -1.32 0.41 115.31 118.89 3kxc h LEU 8 Ca 0.11 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3kxc h LEU 8 Cb 0.46 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3kxc h LEU 8 CO 0.02 0.36 0.06 -0.07 0.09 0.00 0.00 178.44 178.89 3kxc h LEU 9 N 0.55 0.77 -0.10 1.67 4.07 -1.18 -2.40 115.31 118.68 3kxc h LEU 9 Ca 0.15 -0.27 -0.01 0.00 0.08 0.00 0.00 57.88 57.83 3kxc h LEU 9 Cb -0.04 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.49 3kxc h LEU 9 CO -0.03 0.85 0.04 0.25 -1.08 0.00 0.00 178.44 178.46 3kxc h LEU 10 N 0.66 0.15 -0.82 1.67 6.46 -0.99 -0.51 115.31 121.92 3kxc h LEU 10 Ca 0.14 -0.19 0.07 0.00 -0.12 0.00 0.00 57.88 57.78 3kxc h LEU 10 Cb 0.42 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.25 3kxc h LEU 10 CO 0.01 0.30 0.50 -0.74 -0.62 0.00 0.00 178.44 177.88 3kxc h HIS 11 N -0.01 0.91 -0.56 1.25 2.76 -0.94 0.15 115.15 118.71 3kxc h HIS 11 Ca 0.03 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.14 3kxc h HIS 11 Cb 0.20 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 3kxc h HIS 11 CO -0.01 0.44 0.00 -0.97 -1.30 0.00 0.00 177.93 176.10 3kxc h ASN 12 N 0.89 0.97 -0.42 3.26 -1.24 -1.25 -1.71 115.58 116.08 3kxc h ASN 12 Ca 0.37 -0.30 -0.10 0.00 0.71 0.00 0.00 56.30 56.97 3kxc h ASN 12 Cb 0.21 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 3kxc h ASN 12 CO -0.19 1.03 -0.10 -0.08 -1.29 0.00 0.00 177.43 176.80 3kxc h GLU 13 N 0.87 0.87 -0.64 6.67 4.57 -0.56 -2.52 114.58 123.85 3kxc h GLU 13 Ca 0.16 -0.30 -0.05 0.00 -1.18 0.00 0.00 59.36 57.99 3kxc h GLU 13 Cb 0.54 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 3kxc h GLU 13 CO 0.03 0.94 0.19 0.52 -1.18 0.00 0.00 179.01 179.51 3kxc h MET 14 N 0.79 0.99 -0.30 1.92 2.86 -0.44 -3.25 114.93 117.50 3kxc h MET 14 Ca 0.13 -0.22 -0.18 0.00 -2.06 0.00 0.00 59.70 57.38 3kxc h MET 14 Cb 0.62 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 3kxc h MET 14 CO 0.04 0.88 -0.51 -0.39 1.06 0.00 0.00 176.91 177.99 3kxc h VAL 15 N 0.92 1.28 -2.60 -2.22 -1.51 -1.23 -3.34 116.25 107.55 3kxc h VAL 15 Ca 0.20 -1.70 -0.68 0.00 -1.23 0.00 0.00 66.70 63.29 3kxc h VAL 15 Cb 0.30 1.59 -0.18 0.00 -2.13 0.00 0.00 31.29 30.87 3kxc h VAL 15 CO -0.01 0.55 0.65 -0.94 -1.23 0.00 0.00 177.57 176.59 3kxc s SER 16 N -6.92 6.49 0.00 4.19 1.04 -0.96 -5.05 113.70 112.49 3kxc s SER 16 Ca -0.10 -1.79 0.00 0.00 0.48 0.00 0.00 55.95 54.54 3kxc s SER 16 Cb 0.11 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.85 3kxc s SER 16 CO 0.88 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 174.59 3kxc n GLY 17 N 5.34 -2.99 0.00 7.32 0.00 -1.26 -4.80 105.19 108.80 3kxc n GLY 17 Ca 0.14 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3kxc n GLY 17 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kxc n GLN 24 N 0.02 0.00 0.00 1.61 6.02 -1.26 -4.58 117.38 119.18 3kxc n GLN 24 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3kxc n GLN 24 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3kxc n GLN 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kxc n GLY 25 N 0.00 1.45 0.37 1.08 0.00 -1.26 -4.44 105.19 102.40 3kxc n GLY 25 Ca 0.00 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.46 3kxc n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kxc h GLU 26 N 0.00 0.71 0.26 1.61 5.08 -2.05 -0.82 114.58 119.36 3kxc h GLU 26 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3kxc h GLU 26 Cb 0.00 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.09 3kxc h GLU 26 CO 0.00 0.47 -0.12 0.28 -1.00 0.00 0.00 179.01 178.64 3kxc h VAL 27 N 0.73 0.71 -0.46 3.13 2.07 -1.99 -1.36 116.25 119.09 3kxc h VAL 27 Ca 0.52 -0.82 0.07 0.00 0.82 0.00 0.00 66.70 67.29 3kxc h VAL 27 Cb 0.83 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 3kxc h VAL 27 CO -0.28 0.15 0.13 -0.08 0.02 0.00 0.00 177.57 177.51 3kxc h GLU 28 N -0.83 0.28 -0.73 1.57 4.57 -1.72 0.18 114.58 117.91 3kxc h GLU 28 Ca -0.04 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.19 3kxc h GLU 28 Cb 0.51 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.98 3kxc h GLU 28 CO 0.06 0.19 0.41 -0.91 -1.18 0.00 0.00 179.01 177.58 3kxc h ASN 29 N 0.29 0.62 -0.49 1.04 2.35 -1.18 -0.60 115.58 117.62 3kxc h ASN 29 Ca 0.22 0.03 0.03 0.00 -0.55 0.00 0.00 56.30 56.03 3kxc h ASN 29 Cb 0.25 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 3kxc h ASN 29 CO -0.25 0.39 0.27 1.23 -1.65 0.00 0.00 177.43 177.43 3kxc h GLY 30 N 0.75 0.69 1.01 2.83 0.00 -0.36 -1.92 103.07 106.07 3kxc h GLY 30 Ca 0.33 -0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.50 3kxc h GLY 30 CO -0.19 0.15 0.56 3.21 0.00 0.00 0.00 176.54 180.27 3kxc h ARG 31 N 0.54 0.99 -0.31 4.80 3.08 -0.13 -1.63 114.38 121.72 3kxc h ARG 31 Ca 0.20 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 3kxc h ARG 31 Cb 0.06 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3kxc h ARG 31 CO -0.11 0.66 0.10 0.00 -1.07 0.00 0.00 179.97 179.54 3kxc h ILE 33 N 0.35 1.02 -0.72 0.00 1.08 -0.96 -0.62 117.51 117.65 3kxc h ILE 33 Ca 0.10 -0.15 -0.00 0.00 -0.39 0.00 0.00 64.86 64.42 3kxc h ILE 33 Cb 0.24 0.55 -0.04 0.00 -3.07 0.00 0.00 36.82 34.50 3kxc h ILE 33 CO -0.00 0.08 0.43 0.74 -0.69 0.00 0.00 178.15 178.71 3kxc h THR 34 N 0.43 1.20 -0.33 -0.27 2.02 -1.15 -0.62 112.91 114.19 3kxc h THR 34 Ca 0.15 -0.44 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 3kxc h THR 34 Cb 0.03 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 3kxc h THR 34 CO -0.08 0.21 -0.06 0.11 0.37 0.00 0.00 175.52 176.06 3kxc h LYS 35 N 0.99 0.62 -0.16 6.66 1.57 -0.60 -0.54 116.57 125.11 3kxc h LYS 35 Ca 0.26 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3kxc h LYS 35 Cb -0.04 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3kxc h LYS 35 CO -0.05 0.79 0.04 -0.07 -0.57 0.00 0.00 179.45 179.59 3kxc h LEU 36 N 0.41 0.02 -0.28 2.94 3.38 -0.67 -1.19 115.31 119.92 3kxc h LEU 36 Ca 0.08 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3kxc h LEU 36 Cb 0.55 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3kxc h LEU 36 CO 0.03 0.04 0.16 -0.08 0.09 0.00 0.00 178.44 178.68 3kxc h GLU 37 N 0.10 0.38 -0.76 1.13 4.22 -1.03 -1.99 114.58 116.63 3kxc h GLU 37 Ca 0.07 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.47 3kxc h GLU 37 Cb 0.06 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 3kxc h GLU 37 CO -0.09 0.32 0.49 -0.91 -2.18 0.00 0.00 179.01 176.63 3kxc h ASN 38 N 0.34 0.88 -0.31 1.04 -0.26 -0.93 0.22 115.58 116.57 3kxc h ASN 38 Ca 0.10 -0.03 -0.05 0.00 -0.56 0.00 0.00 56.30 55.76 3kxc h ASN 38 Cb 0.04 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.06 3kxc h ASN 38 CO -0.02 0.66 -0.01 0.24 -1.06 0.00 0.00 177.43 177.24 3kxc h MET 39 N 1.04 0.55 -0.69 0.81 2.86 -1.03 -2.19 114.93 116.27 3kxc h MET 39 Ca 0.28 -0.18 0.09 0.00 -2.06 0.00 0.00 59.70 57.83 3kxc h MET 39 Cb -0.09 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.45 3kxc h MET 39 CO -0.06 0.69 0.33 0.78 1.06 0.00 0.00 176.91 179.72 3kxc h GLY 40 N 0.34 1.02 0.72 8.32 0.00 -0.69 -1.25 103.07 111.54 3kxc h GLY 40 Ca 0.09 -0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.26 3kxc h GLY 40 CO 0.02 0.05 0.24 -2.75 0.00 0.00 0.00 176.54 174.09 3kxc h PHE 41 N 0.57 0.44 -0.37 5.60 3.57 -0.35 0.16 116.94 126.56 3kxc h PHE 41 Ca 0.34 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.76 3kxc h PHE 41 Cb 0.37 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 3kxc h PHE 41 CO -0.12 0.21 -0.19 0.00 -2.23 0.00 0.00 178.31 175.99 3kxc h ARG 42 N 0.48 0.70 -0.18 1.11 2.47 -0.76 -1.99 114.38 116.20 3kxc h ARG 42 Ca 0.22 -0.26 -0.06 0.00 -1.26 0.00 0.00 59.98 58.62 3kxc h ARG 42 Cb 0.13 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.41 3kxc h ARG 42 CO -0.16 0.84 -0.14 0.28 0.56 0.00 0.00 179.97 181.36 3kxc h VAL 43 N 0.62 1.33 -0.44 2.04 2.07 -0.84 -2.41 116.25 118.62 3kxc h VAL 43 Ca 0.09 -1.26 0.07 0.00 0.82 0.00 0.00 66.70 66.43 3kxc h VAL 43 Cb 0.67 1.75 -0.06 0.00 -1.52 0.00 0.00 31.29 32.13 3kxc h VAL 43 CO 0.05 0.38 0.10 1.23 0.02 0.00 0.00 177.57 179.35 3kxc h GLY 44 N 0.08 0.53 0.45 2.17 0.00 -0.57 0.57 103.07 106.30 3kxc h GLY 44 Ca 0.03 -0.04 0.07 0.00 0.00 0.00 0.00 47.33 47.40 3kxc h GLY 44 CO 0.04 -0.03 0.09 1.46 0.00 0.00 0.00 176.54 178.10 3kxc h GLN 45 N 0.24 0.22 -0.10 4.80 4.20 -1.34 -2.64 115.11 120.50 3kxc h GLN 45 Ca 0.21 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.79 3kxc h GLN 45 Cb 0.26 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3kxc h GLN 45 CO -0.27 0.15 -0.47 0.78 -0.67 0.00 0.00 178.83 178.36 3kxc h GLY 46 N 0.23 0.27 0.93 3.46 0.00 -0.82 -1.68 103.07 105.45 3kxc h GLY 46 Ca 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 3kxc h GLY 46 CO -0.28 0.25 0.14 1.41 0.00 0.00 0.00 176.54 178.06 3kxc h LEU 47 N 0.20 0.42 -0.80 3.11 3.38 -0.71 -2.02 115.31 118.89 3kxc h LEU 47 Ca 0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3kxc h LEU 47 Cb 0.90 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 3kxc h LEU 47 CO 0.07 0.45 0.45 0.40 0.09 0.00 0.00 178.44 179.90 3kxc h ILE 48 N 0.37 1.23 -0.99 1.22 1.08 -1.28 0.14 117.51 119.28 3kxc h ILE 48 Ca 0.11 -0.57 0.04 0.00 -0.39 0.00 0.00 64.86 64.05 3kxc h ILE 48 Cb 0.15 0.16 -0.06 0.00 -3.07 0.00 0.00 36.82 34.00 3kxc h ILE 48 CO -0.01 0.26 0.65 -0.08 -0.69 0.00 0.00 178.15 178.27 3kxc h GLU 49 N 1.10 1.20 0.10 2.37 4.81 -1.10 0.03 114.58 123.10 3kxc h GLU 49 Ca 0.28 -0.07 -0.19 0.00 -0.13 0.00 0.00 59.36 59.25 3kxc h GLU 49 Cb 0.01 -0.27 0.01 0.00 0.63 0.00 0.00 28.75 29.13 3kxc h GLU 49 CO -0.05 0.79 -0.89 -0.09 -0.73 0.00 0.00 179.01 178.04 3kxc h ARG 50 N 1.24 0.21 0.00 1.92 9.65 -1.11 -3.42 114.38 122.86 3kxc h ARG 50 Ca 0.40 -0.35 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 3kxc h ARG 50 Cb 0.04 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 3kxc h ARG 50 CO -0.13 1.17 0.00 1.19 2.80 0.00 0.00 179.97 185.00 3kxc n PHE 51 N -4.17 0.00 -2.91 2.20 3.72 0.46 -4.78 117.46 111.98 3kxc n PHE 51 Ca -0.18 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.79 3kxc n PHE 51 Cb 0.78 -0.37 -0.05 0.00 -0.94 0.00 0.00 39.48 38.89 3kxc n PHE 51 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3kxc s THR 52 N -1.38 4.59 0.21 4.37 -4.23 -0.01 -5.06 115.64 114.14 3kxc s THR 52 Ca 0.00 0.62 0.19 0.00 -1.18 0.00 0.00 61.69 61.32 3kxc s THR 52 Cb 0.00 -4.35 0.15 0.00 1.34 0.00 0.00 72.50 69.64 3kxc s THR 52 CO 0.00 -0.72 1.78 0.11 -0.54 0.00 0.00 174.62 175.25 3kxc h LYS 53 N 8.94 0.00 0.00 3.99 1.57 -1.86 -3.41 116.57 125.80 3kxc h LYS 53 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3kxc h LYS 53 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3kxc h LYS 53 CO 0.98 0.35 0.00 1.19 -0.57 0.00 0.00 179.45 181.39 3kxc n PHE 58 N -3.60 0.00 0.49 -1.35 3.01 -1.26 -5.18 117.46 109.58 3kxc n PHE 58 Ca -0.01 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.48 3kxc n PHE 58 Cb 0.47 0.00 0.13 0.00 -0.01 0.00 0.00 39.48 40.06 3kxc n PHE 58 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3kxc n LYS 59 N 0.00 2.17 -3.59 -1.08 5.02 -1.26 -4.85 118.16 114.57 3kxc n LYS 59 Ca 0.00 -0.99 -0.12 0.00 -2.02 0.00 0.00 58.31 55.18 3kxc n LYS 59 Cb 0.00 -1.68 -0.06 0.00 -0.02 0.00 0.00 35.03 33.27 3kxc n LYS 59 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3kxc s ASP 60 N -0.33 -0.51 0.15 4.39 3.68 -1.26 -5.01 116.67 117.78 3kxc s ASP 60 Ca 0.17 0.75 -0.15 0.00 2.13 0.00 0.00 52.55 55.45 3kxc s ASP 60 Cb 0.13 0.68 0.02 0.00 -1.45 0.00 0.00 42.92 42.30 3kxc s ASP 60 CO 0.06 -0.33 1.75 -0.08 0.13 0.00 0.00 175.17 176.70 3kxc h GLU 61 N 3.46 0.61 -0.87 4.34 4.81 -1.99 -1.76 114.58 123.17 3kxc h GLU 61 Ca -0.24 -0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.02 3kxc h GLU 61 Cb 1.16 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 30.36 3kxc h GLU 61 CO 0.23 0.49 0.56 -0.07 -0.73 0.00 0.00 179.01 179.49 3kxc h LEU 62 N 0.57 0.74 -0.58 1.64 3.38 -1.99 -0.45 115.31 118.62 3kxc h LEU 62 Ca 0.15 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 3kxc h LEU 62 Cb 0.06 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3kxc h LEU 62 CO -0.02 0.42 0.15 0.44 0.09 0.00 0.00 178.44 179.52 3kxc h ASP 63 N 0.81 0.88 -0.55 -0.43 5.19 -1.87 -1.66 116.42 118.80 3kxc h ASP 63 Ca 0.41 -0.23 -0.06 0.00 -0.62 0.00 0.00 57.03 56.53 3kxc h ASP 63 Cb 0.49 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 3kxc h ASP 63 CO -0.18 0.88 0.10 0.40 -3.12 0.00 0.00 179.24 177.32 3kxc h ILE 64 N 0.84 1.25 -0.43 0.35 2.04 -0.30 -1.30 117.51 119.96 3kxc h ILE 64 Ca 0.18 -0.94 -0.09 0.00 1.00 0.00 0.00 64.86 65.01 3kxc h ILE 64 Cb 0.34 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3kxc h ILE 64 CO 0.00 0.34 -0.11 0.24 0.00 0.00 0.00 178.15 178.62 3kxc h MET 65 N 0.79 0.78 -0.79 2.37 2.86 -1.07 -1.98 114.93 117.90 3kxc h MET 65 Ca 0.17 -0.26 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3kxc h MET 65 Cb 0.39 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.95 3kxc h MET 65 CO 0.01 0.86 0.49 0.87 1.06 0.00 0.00 176.91 180.19 3kxc h LYS 66 N 0.70 1.06 -0.16 1.72 1.57 -0.98 -1.92 116.57 118.56 3kxc h LYS 66 Ca 0.12 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3kxc h LYS 66 Cb 0.59 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3kxc h LYS 66 CO 0.04 0.74 0.09 0.35 -0.57 0.00 0.00 179.45 180.10 3kxc h PHE 67 N 1.08 0.23 -0.47 -1.35 3.57 -0.87 0.54 116.94 119.66 3kxc h PHE 67 Ca 0.28 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.87 3kxc h PHE 67 Cb -0.06 -0.07 -0.08 0.00 2.79 0.00 0.00 35.95 38.53 3kxc h PHE 67 CO -0.01 0.22 0.01 0.82 -2.23 0.00 0.00 178.31 177.11 3kxc h ILE 68 N 0.17 0.64 -0.12 1.41 1.08 -1.19 -1.06 117.51 118.44 3kxc h ILE 68 Ca 0.06 -0.04 -0.08 0.00 -0.39 0.00 0.00 64.86 64.41 3kxc h ILE 68 Cb 0.06 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 34.31 3kxc h ILE 68 CO -0.01 0.02 -0.27 0.00 -0.69 0.00 0.00 178.15 177.21 3kxc n LYS 70 N -4.15 0.00 -0.13 0.00 5.02 0.16 -1.09 118.16 117.97 3kxc n LYS 70 Ca -0.01 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.21 3kxc n LYS 70 Cb 0.37 -0.02 0.01 0.00 -0.02 0.00 0.00 35.03 35.37 3kxc n LYS 70 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3kxc h ASP 71 N 0.00 0.39 0.36 4.39 5.19 -1.46 -1.94 116.42 123.34 3kxc h ASP 71 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.40 3kxc h ASP 71 Cb 0.00 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.44 3kxc h ASP 71 CO 0.00 0.28 -0.17 0.15 -3.12 0.00 0.00 179.24 176.38 3kxc h PHE 72 N 0.48 -0.45 -0.55 4.55 3.57 -1.36 -0.40 116.94 122.79 3kxc h PHE 72 Ca 0.16 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.70 3kxc h PHE 72 Cb 0.01 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 3kxc h PHE 72 CO -0.07 -0.16 0.36 2.35 -2.23 0.00 0.00 178.31 178.56 3kxc h TRP 73 N -0.70 0.53 -0.35 0.41 2.91 -1.14 -1.99 115.95 115.62 3kxc h TRP 73 Ca -0.05 0.01 -0.11 0.00 1.13 0.00 0.00 58.89 59.88 3kxc h TRP 73 Cb 0.49 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 28.95 3kxc h TRP 73 CO -0.00 0.29 -0.20 1.15 -1.03 0.00 0.00 178.44 178.65 3kxc h THR 74 N 0.53 1.29 -0.65 2.65 2.02 -0.87 0.32 112.91 118.19 3kxc h THR 74 Ca 0.23 -1.33 0.08 0.00 0.77 0.00 0.00 66.41 66.16 3kxc h THR 74 Cb 0.25 1.39 -0.06 0.00 -1.74 0.00 0.00 68.15 67.99 3kxc h THR 74 CO -0.06 0.43 0.33 0.74 0.37 0.00 0.00 175.52 177.33 3kxc h THR 75 N 0.53 0.89 0.00 3.16 2.02 -0.35 0.47 112.91 119.63 3kxc h THR 75 Ca 0.07 -0.20 -0.13 0.00 0.77 0.00 0.00 66.41 66.93 3kxc h THR 75 Cb 0.74 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3kxc h THR 75 CO 0.06 0.11 -0.70 0.58 0.37 0.00 0.00 175.52 175.93 3kxc h VAL 76 N 0.59 1.26 -0.10 3.16 2.07 -1.37 -3.41 116.25 118.45 3kxc h VAL 76 Ca 0.31 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.61 3kxc h VAL 76 Cb 0.28 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 3kxc h VAL 76 CO -0.23 0.43 0.00 0.49 0.02 0.00 0.00 177.57 178.28 3kxc n PHE 77 N -4.51 0.13 -1.58 1.57 3.01 0.11 -4.98 117.46 111.20 3kxc n PHE 77 Ca -0.22 -0.15 -0.16 0.00 1.01 0.00 0.00 57.45 57.93 3kxc n PHE 77 Cb 0.58 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.98 3kxc n PHE 77 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3kxc n LYS 78 N 0.51 -1.14 -3.74 -1.08 4.76 0.15 -4.94 118.16 112.69 3kxc n LYS 78 Ca 0.07 1.03 -0.10 0.00 -2.87 0.00 0.00 58.31 56.44 3kxc n LYS 78 Cb 0.30 -5.24 -0.04 0.00 -1.84 0.00 0.00 35.03 28.21 3kxc n LYS 78 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 3kxc s LYS 79 N -3.56 1.29 0.51 1.97 -2.85 -1.25 -4.93 119.74 110.92 3kxc s LYS 79 Ca 0.00 -0.86 -0.06 0.00 -1.00 0.00 0.00 55.97 54.05 3kxc s LYS 79 Cb 0.00 0.49 -0.03 0.00 -2.06 0.00 0.00 37.83 36.23 3kxc s LYS 79 CO 0.00 -0.53 0.83 -0.65 0.10 0.00 0.00 175.35 175.10 3kxc s GLN 80 N -3.87 3.50 0.37 1.78 -0.21 -1.26 -2.22 119.66 117.76 3kxc s GLN 80 Ca 0.09 0.26 -0.28 0.00 0.02 0.00 0.00 55.36 55.45 3kxc s GLN 80 Cb 0.00 -2.33 -0.11 0.00 1.00 0.00 0.00 33.01 31.57 3kxc s GLN 80 CO -0.04 -0.29 1.47 0.42 -2.12 0.00 0.00 175.29 174.73 3kxc s ILE 81 N -2.82 2.11 0.14 1.08 -1.09 -0.25 -4.95 121.20 115.42 3kxc s ILE 81 Ca 0.49 0.11 -0.02 0.00 -2.23 0.00 0.00 60.65 59.00 3kxc s ILE 81 Cb -0.10 -3.07 -0.18 0.00 -1.58 0.00 0.00 42.46 37.53 3kxc s ILE 81 CO 0.46 0.03 1.32 0.44 -1.23 0.00 0.00 174.94 175.96 3kxc h ASP 82 N 3.09 0.43 -3.20 3.58 3.32 -1.00 -3.46 116.42 119.18 3kxc h ASP 82 Ca -0.51 -0.35 -0.15 0.00 0.02 0.00 0.00 57.03 56.05 3kxc h ASP 82 Cb 1.24 -0.13 -0.28 0.00 0.22 0.00 0.00 39.33 40.38 3kxc h ASP 82 CO 0.65 1.16 -0.38 0.21 -1.72 0.00 0.00 179.24 179.16 3kxc s ASN 83 N -7.03 -0.37 -0.15 6.45 3.84 -0.96 -4.99 114.94 111.72 3kxc s ASN 83 Ca -0.05 0.76 -0.02 0.00 0.21 0.00 0.00 52.86 53.76 3kxc s ASN 83 Cb 0.09 0.68 -0.02 0.00 -0.55 0.00 0.00 41.25 41.45 3kxc s ASN 83 CO 0.85 -0.19 -0.08 -0.22 -2.79 0.00 0.00 177.10 174.68 3kxc s LEU 84 N 1.48 2.98 0.13 3.21 0.20 -1.26 -0.59 118.68 124.83 3kxc s LEU 84 Ca -0.08 -0.25 0.08 0.00 0.69 0.00 0.00 54.13 54.57 3kxc s LEU 84 Cb -0.09 -1.70 -0.04 0.00 -0.43 0.00 0.00 46.19 43.92 3kxc s LEU 84 CO -0.11 0.14 -0.18 -0.13 -0.29 0.00 0.00 176.35 175.78 3kxc s ARG 85 N 0.50 1.14 0.04 1.98 0.52 -0.43 -4.99 118.95 117.72 3kxc s ARG 85 Ca -0.06 -1.25 -0.02 0.00 -0.52 0.00 0.00 55.73 53.88 3kxc s ARG 85 Cb -0.15 -1.24 -0.03 0.00 0.52 0.00 0.00 34.95 34.05 3kxc s ARG 85 CO 0.03 0.27 -0.00 -0.08 0.02 0.00 0.00 175.30 175.54 3kxc s THR 86 N -1.67 0.17 -2.90 0.02 -1.32 -1.26 -1.03 115.64 107.65 3kxc s THR 86 Ca 0.10 -1.43 0.24 0.00 -1.21 0.00 0.00 61.69 59.39 3kxc s THR 86 Cb -0.08 -1.07 0.24 0.00 -1.51 0.00 0.00 72.50 70.08 3kxc s THR 86 CO 0.05 -0.79 1.31 -0.46 -2.21 0.00 0.00 174.62 172.51 3kxc n ASN 87 N 0.61 2.98 -1.39 8.08 6.94 -0.85 -4.97 115.26 126.66 3kxc n ASN 87 Ca -0.18 -1.97 -0.18 0.00 -0.02 0.00 0.00 54.58 52.23 3kxc n ASN 87 Cb 0.59 -0.03 -0.08 0.00 -2.36 0.00 0.00 39.78 37.90 3kxc n ASN 87 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3kxc n HIS 88 N 1.31 0.00 -0.95 -2.53 8.25 -1.26 -4.80 115.22 115.24 3kxc n HIS 88 Ca 0.15 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.64 3kxc n HIS 88 Cb 0.59 -3.27 0.05 0.00 1.12 0.00 0.00 29.99 28.48 3kxc n HIS 88 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3kxc n GLN 89 N -2.01 1.28 0.00 -0.41 6.02 -1.26 -4.99 117.38 116.02 3kxc n GLN 89 Ca -0.18 -1.60 0.00 0.00 -0.01 0.00 0.00 57.00 55.20 3kxc n GLN 89 Cb 0.65 -0.99 0.00 0.00 1.02 0.00 0.00 30.24 30.93 3kxc n GLN 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kxc n GLY 90 N -0.64 1.10 3.25 1.08 0.00 -1.26 -5.01 105.19 103.71 3kxc n GLY 90 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3kxc n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kxc s ILE 91 N -2.00 2.38 0.12 -0.61 1.01 -1.26 -0.83 121.20 120.01 3kxc s ILE 91 Ca 0.00 -0.89 0.10 0.00 0.00 0.00 0.00 60.65 59.85 3kxc s ILE 91 Cb 0.00 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 3kxc s ILE 91 CO 0.00 0.54 -0.21 -0.31 0.00 0.00 0.00 174.94 174.97 3kxc s TYR 92 N 0.48 2.47 -0.12 3.97 1.51 0.03 -2.01 117.35 123.67 3kxc s TYR 92 Ca -0.13 -0.30 0.01 0.00 -1.01 0.00 0.00 57.07 55.64 3kxc s TYR 92 Cb -0.17 -1.31 0.02 0.00 -0.11 0.00 0.00 41.96 40.39 3kxc s TYR 92 CO 0.05 0.38 -0.12 0.08 -1.11 0.00 0.00 175.55 174.83 3kxc s VAL 93 N -1.14 1.35 -0.24 0.71 1.01 -0.20 -0.30 120.40 121.60 3kxc s VAL 93 Ca 0.17 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 3kxc s VAL 93 Cb -0.10 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 3kxc s VAL 93 CO 0.09 0.42 0.05 -0.76 0.00 0.00 0.00 175.10 174.90 3kxc s LEU 94 N 1.36 3.38 -0.19 3.92 1.02 0.28 -1.31 118.68 127.14 3kxc s LEU 94 Ca 0.00 -0.21 -0.04 0.00 0.02 0.00 0.00 54.13 53.90 3kxc s LEU 94 Cb -0.13 -1.89 -0.02 0.00 0.02 0.00 0.00 46.19 44.16 3kxc s LEU 94 CO -0.06 -0.01 -0.03 -1.58 0.02 0.00 0.00 176.35 174.69 3kxc s GLN 95 N 1.46 3.57 -0.25 1.70 0.74 0.24 -0.54 119.66 126.57 3kxc s GLN 95 Ca 0.05 -0.55 0.00 0.00 0.05 0.00 0.00 55.36 54.91 3kxc s GLN 95 Cb -0.15 -2.98 0.04 0.00 1.10 0.00 0.00 33.01 31.02 3kxc s GLN 95 CO 0.03 0.05 -0.09 0.34 -0.55 0.00 0.00 175.29 175.07 3kxc s ASP 96 N 0.86 4.28 0.17 6.67 -1.08 -0.55 -0.28 116.67 126.74 3kxc s ASP 96 Ca -0.00 -1.10 0.20 0.00 -0.52 0.00 0.00 52.55 51.14 3kxc s ASP 96 Cb -0.14 -1.60 0.86 0.00 -1.46 0.00 0.00 42.92 40.57 3kxc s ASP 96 CO 0.02 -0.15 1.63 0.59 0.52 0.00 0.00 175.17 177.77 3kxc n ASN 97 N 4.57 0.45 -2.94 -0.34 3.02 -1.26 -0.92 115.26 117.83 3kxc n ASN 97 Ca -0.16 0.61 -0.13 0.00 -0.03 0.00 0.00 54.58 54.87 3kxc n ASN 97 Cb 0.45 -0.70 -0.01 0.00 -0.61 0.00 0.00 39.78 38.91 3kxc n ASN 97 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kxc n LYS 98 N -1.99 0.63 -1.92 3.52 4.76 -1.25 -3.18 118.16 118.72 3kxc n LYS 98 Ca 0.03 -2.34 -0.42 0.00 -2.87 0.00 0.00 58.31 52.71 3kxc n LYS 98 Cb 0.21 -1.44 -0.03 0.00 -1.84 0.00 0.00 35.03 31.93 3kxc n LYS 98 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3kxc s PHE 99 N 0.22 2.27 0.37 2.13 5.36 0.24 -4.88 117.98 123.70 3kxc s PHE 99 Ca 0.32 0.24 0.14 0.00 -0.96 0.00 0.00 56.93 56.68 3kxc s PHE 99 Cb 0.14 -3.98 0.80 0.00 -0.34 0.00 0.00 43.02 39.64 3kxc s PHE 99 CO -0.16 -3.98 1.86 0.00 -1.46 0.00 0.00 175.22 171.47 3kxc h ARG 100 N 8.68 0.00 -0.00 10.12 3.08 -1.89 -2.19 114.38 132.18 3kxc h ARG 100 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 3kxc h ARG 100 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3kxc h ARG 100 CO 0.93 0.33 -0.04 1.28 -1.07 0.00 0.00 179.97 181.41 3kxc n LEU 101 N -4.07 0.22 -0.11 3.04 4.77 -1.26 -3.36 117.00 116.23 3kxc n LEU 101 Ca -0.02 0.10 -0.21 0.00 -0.03 0.00 0.00 56.01 55.85 3kxc n LEU 101 Cb 0.38 -0.18 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 3kxc n LEU 101 CO 0.38 0.04 -0.71 0.18 -1.33 0.00 0.00 177.39 175.95 3kxc n LEU 102 N -1.06 1.88 0.00 2.23 4.77 -0.84 -4.98 117.00 119.00 3kxc n LEU 102 Ca 0.16 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 3kxc n LEU 102 Cb 0.23 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 3kxc n LEU 102 CO 0.22 0.24 0.00 0.35 -1.33 0.00 0.00 177.39 176.87 3kxc n THR 103 N -4.41 0.00 0.00 -5.08 -2.24 -1.11 -5.12 114.28 96.31 3kxc n THR 103 Ca -0.34 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3kxc n THR 103 Cb 0.67 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 3kxc n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kxc n ALA 115 N 0.00 2.07 -0.22 6.98 0.00 -1.26 -4.50 120.51 123.58 3kxc n ALA 115 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 3kxc n ALA 115 Cb 0.26 0.24 0.08 0.00 0.00 0.00 0.00 19.45 20.03 3kxc n ALA 115 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kxc h SER 116 N 0.00 0.56 -1.20 0.00 0.87 -2.02 -2.72 113.55 109.04 3kxc h SER 116 Ca 0.00 0.02 0.35 0.00 -1.23 0.00 0.00 61.79 60.92 3kxc h SER 116 Cb 0.49 -0.10 -0.09 0.00 -0.44 0.00 0.00 62.40 62.26 3kxc h SER 116 CO 0.00 0.38 0.81 0.11 -0.53 0.00 0.00 176.83 177.60 3kxc h LYS 117 N 0.69 0.18 -0.00 2.24 1.57 -2.00 -1.61 116.57 117.65 3kxc h LYS 117 Ca 0.27 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3kxc h LYS 117 Cb 0.11 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3kxc h LYS 117 CO -0.15 0.12 -0.02 0.66 -0.57 0.00 0.00 179.45 179.49 3kxc n TYR 118 N -4.47 0.00 0.54 -1.35 4.02 -1.03 -3.26 117.16 111.61 3kxc n TYR 118 Ca 0.29 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.27 3kxc n TYR 118 Cb 1.18 -0.45 -0.12 0.00 -0.02 0.00 0.00 39.34 39.93 3kxc n TYR 118 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3kxc n LEU 119 N -1.46 0.55 0.08 7.72 4.77 -0.61 -4.70 117.00 123.35 3kxc n LEU 119 Ca 0.08 -0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 55.62 3kxc n LEU 119 Cb 0.32 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.34 3kxc n LEU 119 CO 0.27 0.14 0.80 0.00 -1.33 0.00 0.00 177.39 177.26 3kxc h ALA 120 N 2.26 -0.14 -0.88 -1.18 0.00 -1.60 -0.34 119.26 117.38 3kxc h ALA 120 Ca 0.00 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 54.97 3kxc h ALA 120 Cb 0.59 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 3kxc h ALA 120 CO 0.00 -0.54 0.51 0.35 0.00 0.00 0.00 179.25 179.57 3kxc h PHE 121 N -0.21 0.91 -0.15 0.00 3.57 -1.81 -1.58 116.94 117.67 3kxc h PHE 121 Ca -0.01 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.35 3kxc h PHE 121 Cb 0.17 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 3kxc h PHE 121 CO -0.05 0.32 -0.61 1.15 -2.23 0.00 0.00 178.31 176.90 3kxc h THR 122 N 0.80 1.34 -0.85 4.41 2.02 -1.76 0.63 112.91 119.49 3kxc h THR 122 Ca 0.45 -1.90 0.16 0.00 0.77 0.00 0.00 66.41 65.89 3kxc h THR 122 Cb 0.50 1.88 -0.10 0.00 -1.74 0.00 0.00 68.15 68.69 3kxc h THR 122 CO -0.29 0.58 0.43 0.00 0.37 0.00 0.00 175.52 176.61 3kxc h GLY 124 N 0.58 0.98 0.06 0.00 0.00 -0.50 -1.78 103.07 102.42 3kxc h GLY 124 Ca 0.48 -0.99 0.09 0.00 0.00 0.00 0.00 47.33 46.90 3kxc h GLY 124 CO -0.39 0.89 -0.15 1.41 0.00 0.00 0.00 176.54 178.30 3kxc h LEU 125 N 0.71 -0.54 -0.04 3.11 3.38 -0.44 0.41 115.31 121.90 3kxc h LEU 125 Ca 0.06 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3kxc h LEU 125 Cb 0.94 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 3kxc h LEU 125 CO 0.09 -0.19 0.01 0.40 0.09 0.00 0.00 178.44 178.84 3kxc h ILE 126 N -0.06 1.16 -0.68 1.22 2.04 -1.29 0.30 117.51 120.21 3kxc h ILE 126 Ca 0.21 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.59 3kxc h ILE 126 Cb 0.38 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 3kxc h ILE 126 CO -0.47 0.13 0.45 -0.09 0.00 0.00 0.00 178.15 178.17 3kxc h ARG 127 N -0.13 0.90 -0.40 2.37 2.43 -0.89 -0.42 114.38 118.24 3kxc h ARG 127 Ca 0.01 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 3kxc h ARG 127 Cb 0.20 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3kxc h ARG 127 CO -0.00 0.59 -0.16 0.78 -1.51 0.00 0.00 179.97 179.67 3kxc h GLY 128 N 0.92 0.88 0.92 2.80 0.00 -0.10 -0.25 103.07 108.25 3kxc h GLY 128 Ca 0.25 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3kxc h GLY 128 CO -0.05 0.70 -0.06 -1.33 0.00 0.00 0.00 176.54 175.80 3kxc h GLY 129 N 0.62 -0.12 0.76 4.60 0.00 -0.69 -2.13 103.07 106.12 3kxc h GLY 129 Ca 0.09 0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.54 3kxc h GLY 129 CO 0.05 -0.06 0.48 1.41 0.00 0.00 0.00 176.54 178.41 3kxc h LEU 130 N -0.13 0.75 -0.37 3.11 3.38 -1.03 -2.70 115.31 118.33 3kxc h LEU 130 Ca 0.00 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3kxc h LEU 130 Cb 0.13 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3kxc h LEU 130 CO -0.02 0.50 0.13 -1.28 0.09 0.00 0.00 178.44 177.86 3kxc h SER 131 N 0.89 0.15 0.40 -0.43 0.87 -0.64 -0.72 113.55 114.07 3kxc h SER 131 Ca 0.33 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.93 3kxc h SER 131 Cb 0.12 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 3kxc h SER 131 CO -0.16 0.12 -0.02 0.78 -0.53 0.00 0.00 176.83 177.03 3kxc h ASN 132 N 0.29 0.00 -0.40 6.23 4.21 -1.22 -1.46 115.58 123.23 3kxc h ASN 132 Ca 0.17 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.68 3kxc h ASN 132 Cb 0.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 3kxc h ASN 132 CO -0.16 0.02 0.00 0.18 -1.29 0.00 0.00 177.43 176.18 3kxc n LEU 133 N -3.20 2.80 0.00 1.61 4.77 -0.43 -4.94 117.00 117.62 3kxc n LEU 133 Ca -0.02 -1.29 0.00 0.00 -0.03 0.00 0.00 56.01 54.68 3kxc n LEU 133 Cb 0.17 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3kxc n LEU 133 CO 0.24 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 3kxc n GLY 134 N 1.36 0.96 3.14 -0.72 0.00 -0.55 -5.06 105.19 104.32 3kxc n GLY 134 Ca 0.18 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3kxc n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kxc s ILE 135 N -2.00 2.01 0.03 -0.61 1.01 -0.41 -5.00 121.20 116.24 3kxc s ILE 135 Ca 0.00 -0.93 -0.19 0.00 0.00 0.00 0.00 60.65 59.52 3kxc s ILE 135 Cb 0.00 -1.79 -0.06 0.00 0.01 0.00 0.00 42.46 40.62 3kxc s ILE 135 CO 0.00 0.54 0.56 -0.75 0.00 0.00 0.00 174.94 175.29 3kxc s LYS 136 N 1.01 4.23 0.13 2.79 2.20 -1.26 -2.35 119.74 126.49 3kxc s LYS 136 Ca -0.02 0.70 -0.12 0.00 -0.36 0.00 0.00 55.97 56.16 3kxc s LYS 136 Cb -0.15 -3.28 0.01 0.00 -1.51 0.00 0.00 37.83 32.90 3kxc s LYS 136 CO -0.06 0.52 0.32 -1.54 -0.36 0.00 0.00 175.35 174.23 3kxc s SER 137 N -0.69 -0.06 -0.17 1.43 1.04 -1.26 -0.72 113.70 113.28 3kxc s SER 137 Ca 0.29 -0.56 -0.01 0.00 0.48 0.00 0.00 55.95 56.15 3kxc s SER 137 Cb -0.19 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.36 3kxc s SER 137 CO 0.18 -0.84 -0.11 -0.63 0.98 0.00 0.00 173.24 172.82 3kxc s ILE 138 N -3.86 3.03 -0.14 -1.02 1.01 0.33 -4.90 121.20 115.66 3kxc s ILE 138 Ca 0.07 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.10 3kxc s ILE 138 Cb 0.03 -2.32 0.01 0.00 0.01 0.00 0.00 42.46 40.19 3kxc s ILE 138 CO -0.08 0.49 -0.21 -0.69 0.00 0.00 0.00 174.94 174.45 3kxc s VAL 139 N 0.90 2.20 0.30 2.92 1.01 -1.26 -0.85 120.40 125.62 3kxc s VAL 139 Ca -0.03 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.06 3kxc s VAL 139 Cb -0.15 -1.89 -0.06 0.00 0.00 0.00 0.00 36.38 34.28 3kxc s VAL 139 CO -0.00 0.54 0.02 0.42 0.00 0.00 0.00 175.10 176.08 3kxc s THR 140 N 0.78 1.27 0.05 3.92 -4.23 -0.61 -4.88 115.64 111.95 3kxc s THR 140 Ca -0.07 -2.03 -0.19 0.00 -1.18 0.00 0.00 61.69 58.22 3kxc s THR 140 Cb -0.16 -2.64 0.04 0.00 1.34 0.00 0.00 72.50 71.08 3kxc s THR 140 CO -0.01 -0.13 0.43 0.00 -0.54 0.00 0.00 174.62 174.38 3kxc s ALA 141 N -3.25 -1.05 0.01 3.99 0.00 -1.26 0.43 121.76 120.63 3kxc s ALA 141 Ca 0.34 0.31 -0.04 0.00 0.00 0.00 0.00 51.96 52.57 3kxc s ALA 141 Cb 0.07 0.39 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 3kxc s ALA 141 CO 0.14 -0.49 0.06 -1.21 0.00 0.00 0.00 175.76 174.26 3kxc s GLU 142 N -2.63 0.40 -0.29 0.00 2.02 -0.54 -5.01 118.70 112.65 3kxc s GLU 142 Ca -0.04 -0.48 -0.29 0.00 0.02 0.00 0.00 54.97 54.17 3kxc s GLU 142 Cb -0.00 0.16 -0.01 0.00 0.10 0.00 0.00 34.13 34.38 3kxc s GLU 142 CO -0.03 -0.08 1.45 0.08 0.02 0.00 0.00 175.26 176.69 3kxc s VAL 143 N -1.39 3.91 -0.02 2.63 1.01 -1.26 -0.80 120.40 124.48 3kxc s VAL 143 Ca -0.15 1.01 -0.21 0.00 0.00 0.00 0.00 61.98 62.63 3kxc s VAL 143 Cb -0.09 -3.98 -0.13 0.00 0.00 0.00 0.00 36.38 32.18 3kxc s VAL 143 CO 0.00 -0.46 0.89 0.77 0.00 0.00 0.00 175.10 176.31 3kxc h SER 144 N 10.22 -0.46 -1.48 3.32 4.64 -1.63 -3.46 113.55 124.69 3kxc h SER 144 Ca -0.29 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 60.90 3kxc h SER 144 Cb 1.12 0.12 -0.26 0.00 -0.31 0.00 0.00 62.40 63.07 3kxc h SER 144 CO 1.03 -0.03 -0.38 -0.94 -0.87 0.00 0.00 176.83 175.64 3kxc s SER 145 N -4.96 -0.52 0.02 4.97 1.04 -1.18 -5.04 113.70 108.03 3kxc s SER 145 Ca -0.11 0.54 -0.35 0.00 0.48 0.00 0.00 55.95 56.50 3kxc s SER 145 Cb 0.01 1.61 -0.18 0.00 0.10 0.00 0.00 66.02 67.56 3kxc s SER 145 CO 0.38 -0.28 0.92 0.80 0.98 0.00 0.00 173.24 176.04 3kxc n MET 146 N 5.40 0.00 -0.62 4.02 1.56 -1.26 -1.31 117.12 124.90 3kxc n MET 146 Ca -0.02 0.00 0.05 0.00 -0.27 0.00 0.00 57.70 57.46 3kxc n MET 146 Cb 0.51 -1.32 0.28 0.00 2.15 0.00 0.00 33.22 34.84 3kxc n MET 146 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 3kxc n PRO 147 N 1.32 3.69 -2.62 2.12 -0.04 -1.26 -5.10 135.00 133.11 3kxc n PRO 147 Ca 0.18 -2.20 -0.39 0.00 -0.04 0.00 0.00 63.50 61.05 3kxc n PRO 147 Cb 0.09 -2.02 -0.05 0.00 -0.04 0.00 0.00 33.50 31.48 3kxc n PRO 147 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kxc s ALA 148 N -2.21 3.32 0.05 0.55 0.00 -0.43 -0.59 121.76 122.46 3kxc s ALA 148 Ca 0.38 0.73 0.02 0.00 0.00 0.00 0.00 51.96 53.09 3kxc s ALA 148 Cb 0.29 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 3kxc s ALA 148 CO 0.11 0.01 -0.07 0.00 0.00 0.00 0.00 175.76 175.82 3kxc s LYS 150 N -2.06 2.67 -0.23 0.00 1.02 0.02 -1.48 119.74 119.67 3kxc s LYS 150 Ca -0.06 -0.73 -0.08 0.00 0.02 0.00 0.00 55.97 55.12 3kxc s LYS 150 Cb -0.07 -2.15 -0.03 0.00 -0.52 0.00 0.00 37.83 35.06 3kxc s LYS 150 CO -0.01 0.02 0.08 -0.06 -0.92 0.00 0.00 175.35 174.46 3kxc s PHE 151 N 0.74 3.14 -0.20 3.18 0.40 0.30 -1.47 117.98 124.07 3kxc s PHE 151 Ca -0.10 -0.22 -0.12 0.00 -0.60 0.00 0.00 56.93 55.89 3kxc s PHE 151 Cb -0.16 -2.20 -0.05 0.00 0.51 0.00 0.00 43.02 41.12 3kxc s PHE 151 CO 0.01 -0.19 0.21 -1.14 0.70 0.00 0.00 175.22 174.82 3kxc s GLN 152 N 1.26 4.17 -0.27 0.44 0.74 0.17 -0.56 119.66 125.61 3kxc s GLN 152 Ca 0.05 -0.10 -0.01 0.00 0.05 0.00 0.00 55.36 55.35 3kxc s GLN 152 Cb -0.15 -3.47 0.04 0.00 1.10 0.00 0.00 33.01 30.54 3kxc s GLN 152 CO 0.04 0.17 -0.05 0.08 -0.55 0.00 0.00 175.29 174.98 3kxc s VAL 153 N 0.71 2.76 -0.45 1.34 1.01 0.59 -1.57 120.40 124.79 3kxc s VAL 153 Ca 0.11 -1.30 -0.14 0.00 0.00 0.00 0.00 61.98 60.65 3kxc s VAL 153 Cb -0.13 -2.52 0.06 0.00 0.00 0.00 0.00 36.38 33.80 3kxc s VAL 153 CO 0.03 0.03 0.34 -0.04 0.00 0.00 0.00 175.10 175.46 3kxc s MET 154 N 1.25 2.89 0.11 2.72 -1.94 -0.03 -0.79 119.30 123.51 3kxc s MET 154 Ca -0.04 -1.31 -0.31 0.00 -1.71 0.00 0.00 55.69 52.33 3kxc s MET 154 Cb -0.19 -4.01 -0.07 0.00 2.01 0.00 0.00 34.83 32.58 3kxc s MET 154 CO -0.03 -0.95 1.25 0.42 -0.01 0.00 0.00 175.02 175.70 3kxc s ILE 155 N 1.60 3.70 -0.07 2.53 1.01 -0.01 -0.51 121.20 129.44 3kxc s ILE 155 Ca 0.04 1.28 -0.12 0.00 0.00 0.00 0.00 60.65 61.85 3kxc s ILE 155 Cb -0.23 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.37 3kxc s ILE 155 CO 0.06 0.13 0.29 -1.10 0.00 0.00 0.00 174.94 174.32 3kxc s GLN 156 N 0.67 3.81 0.25 2.79 -1.52 0.10 -4.93 119.66 120.84 3kxc s GLN 156 Ca 0.58 0.16 0.02 0.00 -1.95 0.00 0.00 55.36 54.17 3kxc s GLN 156 Cb -0.32 -3.25 0.31 0.00 -0.22 0.00 0.00 33.01 29.53 3kxc s GLN 156 CO 0.32 0.64 1.62 -0.22 -0.25 0.00 0.00 175.29 177.40 3kxc h LYS 157 N 5.17 0.39 0.00 2.91 3.11 -1.95 -3.40 116.57 122.79 3kxc h LYS 157 Ca -0.51 -0.20 0.00 0.00 -2.81 0.00 0.00 60.65 57.13 3kxc h LYS 157 Cb 1.21 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.45 3kxc h LYS 157 CO 0.63 0.76 0.00 1.47 -2.81 0.00 0.00 179.45 179.50