#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7k s ALA 2 N 0.00 3.65 0.51 4.61 0.00 -1.26 -5.15 121.76 124.11 2k7k s ALA 2 Ca 0.00 -1.97 0.03 0.00 0.00 0.00 0.00 51.96 50.02 2k7k s ALA 2 Cb 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 2k7k s ALA 2 CO 0.00 -0.11 0.11 -1.21 0.00 0.00 0.00 175.76 174.55 2k7k s GLU 3 N -3.93 2.20 6.61 0.00 8.01 -1.26 -4.91 118.70 125.43 2k7k s GLU 3 Ca 0.41 -2.27 0.00 0.00 0.01 0.00 0.00 54.97 53.12 2k7k s GLU 3 Cb 0.00 -1.69 0.00 0.00 -4.31 0.00 0.00 34.13 28.13 2k7k s GLU 3 CO 0.24 -0.40 0.00 0.41 0.01 0.00 0.00 175.26 175.52 2k7k n GLY 4 N -1.37 3.57 3.56 -1.39 0.00 -1.26 -4.22 105.19 104.09 2k7k n GLY 4 Ca -0.14 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 2k7k n GLY 4 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k7k s ASN 5 N -4.00 4.63 -0.11 1.61 -0.87 -1.26 -4.78 114.94 110.16 2k7k s ASN 5 Ca 0.00 -0.22 -0.03 0.00 -1.57 0.00 0.00 52.86 51.03 2k7k s ASN 5 Cb 0.00 -2.55 0.04 0.00 -0.02 0.00 0.00 41.25 38.72 2k7k s ASN 5 CO 0.00 -3.16 0.06 -0.89 -2.57 0.00 0.00 177.10 170.54 2k7k s THR 6 N 11.93 0.04 -0.13 1.60 2.01 -1.26 -5.09 115.64 124.74 2k7k s THR 6 Ca 0.80 0.06 -0.29 0.00 0.31 0.00 0.00 61.69 62.56 2k7k s THR 6 Cb -0.10 -0.46 -0.02 0.00 0.01 0.00 0.00 72.50 71.93 2k7k s THR 6 CO 0.06 -0.02 1.25 -0.76 -0.69 0.00 0.00 174.62 174.45 2k7k s LEU 7 N 2.09 4.21 0.25 4.42 2.01 -1.24 -2.54 118.68 127.89 2k7k s LEU 7 Ca 0.03 1.73 0.11 0.00 0.01 0.00 0.00 54.13 56.02 2k7k s LEU 7 Cb -0.14 -3.54 -0.05 0.00 0.01 0.00 0.00 46.19 42.47 2k7k s LEU 7 CO -0.06 -0.71 -0.18 0.27 1.01 0.00 0.00 176.35 176.68 2k7k s ILE 8 N 3.10 2.60 -0.01 -0.59 -4.36 0.05 -0.61 121.20 121.38 2k7k s ILE 8 Ca 0.55 -2.22 0.02 0.00 -0.26 0.00 0.00 60.65 58.75 2k7k s ILE 8 Cb -0.23 -2.33 -0.00 0.00 1.25 0.00 0.00 42.46 41.15 2k7k s ILE 8 CO 0.17 -0.31 -0.07 -0.55 0.24 0.00 0.00 174.94 174.42 2k7k s SER 9 N -3.28 0.80 -0.01 4.36 0.15 -0.14 -1.42 113.70 114.17 2k7k s SER 9 Ca 0.28 -0.12 -0.19 0.00 0.70 0.00 0.00 55.95 56.62 2k7k s SER 9 Cb -0.06 -0.12 0.03 0.00 -1.71 0.00 0.00 66.02 64.16 2k7k s SER 9 CO 0.14 0.07 0.40 0.54 1.20 0.00 0.00 173.24 175.59 2k7k s VAL 10 N -0.06 0.05 0.52 4.45 0.11 -0.96 -0.59 120.40 123.91 2k7k s VAL 10 Ca 0.01 -0.39 -0.02 0.00 -2.93 0.00 0.00 61.98 58.65 2k7k s VAL 10 Cb -0.04 -0.77 0.11 0.00 -1.53 0.00 0.00 36.38 34.15 2k7k s VAL 10 CO -0.00 -0.21 0.71 0.47 -3.33 0.00 0.00 175.10 172.73 2k7k n ASP 11 N 1.01 0.71 -3.76 3.54 8.00 -1.26 -2.29 116.55 122.50 2k7k n ASP 11 Ca -0.20 -1.66 -0.10 0.00 0.71 0.00 0.00 54.79 53.54 2k7k n ASP 11 Cb 0.57 -0.48 -0.06 0.00 -0.02 0.00 0.00 41.12 41.13 2k7k n ASP 11 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2k7k s TYR 12 N -2.17 -0.01 -0.26 1.24 5.04 -1.25 -3.79 117.35 116.16 2k7k s TYR 12 Ca 0.45 -0.37 -0.21 0.00 -2.44 0.00 0.00 57.07 54.50 2k7k s TYR 12 Cb -0.02 0.08 0.07 0.00 0.35 0.00 0.00 41.96 42.44 2k7k s TYR 12 CO 0.30 -0.61 0.69 -2.00 -1.34 0.00 0.00 175.55 172.59 2k7k s GLU 13 N -3.78 0.77 0.07 4.97 -6.30 -0.94 -3.13 118.70 110.36 2k7k s GLU 13 Ca 0.04 1.05 0.06 0.00 -2.50 0.00 0.00 54.97 53.61 2k7k s GLU 13 Cb 0.03 0.31 -0.03 0.00 0.00 0.00 0.00 34.13 34.44 2k7k s GLU 13 CO -0.11 -0.12 -0.15 0.42 0.02 0.00 0.00 175.26 175.32 2k7k s ILE 14 N 0.79 1.21 0.13 -3.70 -1.09 -1.22 -3.01 121.20 114.30 2k7k s ILE 14 Ca -0.03 -1.26 0.06 0.00 -2.23 0.00 0.00 60.65 57.19 2k7k s ILE 14 Cb -0.05 -1.13 -0.04 0.00 -1.58 0.00 0.00 42.46 39.66 2k7k s ILE 14 CO -0.06 -0.13 -0.15 0.12 -1.23 0.00 0.00 174.94 173.49 2k7k s PHE 15 N -1.14 1.46 0.00 3.97 5.36 -1.18 -3.69 117.98 122.76 2k7k s PHE 15 Ca 0.00 -0.54 0.00 0.00 -0.96 0.00 0.00 56.93 55.43 2k7k s PHE 15 Cb -0.09 -0.76 0.00 0.00 -0.34 0.00 0.00 43.02 41.83 2k7k s PHE 15 CO 0.02 0.17 0.00 0.41 -1.46 0.00 0.00 175.22 174.36 2k7k n GLY 16 N 0.53 0.45 2.40 13.12 0.00 -1.26 -2.15 105.19 118.28 2k7k n GLY 16 Ca -0.15 -1.23 -0.25 0.00 0.00 0.00 0.00 46.02 44.39 2k7k n GLY 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k7k n LYS 17 N 0.00 2.32 -0.55 1.61 3.00 -1.24 -4.23 118.16 119.06 2k7k n LYS 17 Ca 0.00 -2.15 0.06 0.00 -0.00 0.00 0.00 58.31 56.22 2k7k n LYS 17 Cb 0.00 -2.09 0.15 0.00 0.00 0.00 0.00 35.03 33.08 2k7k n LYS 17 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2k7k n VAL 18 N 1.01 1.63 -1.71 3.15 0.24 -1.26 -4.02 118.33 117.37 2k7k n VAL 18 Ca 0.47 -2.38 -0.32 0.00 -2.04 0.00 0.00 64.34 60.07 2k7k n VAL 18 Cb 0.59 -0.01 -0.03 0.00 -1.47 0.00 0.00 33.84 32.92 2k7k n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k7k n GLN 19 N -0.91 3.20 -1.14 7.34 10.64 -1.26 -4.49 117.38 130.77 2k7k n GLN 19 Ca 0.15 -2.83 0.00 0.00 -1.83 0.00 0.00 57.00 52.49 2k7k n GLN 19 Cb 0.74 -2.31 0.00 0.00 -0.86 0.00 0.00 30.24 27.81 2k7k n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k7k n GLY 20 N 1.03 -0.08 0.63 2.61 0.00 -1.26 -5.02 105.19 103.10 2k7k n GLY 20 Ca 0.53 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 46.29 2k7k n GLY 20 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k7k n VAL 21 N -0.70 2.21 -3.81 1.61 0.24 -1.26 -4.97 118.33 111.65 2k7k n VAL 21 Ca 0.00 -2.64 -0.24 0.00 -2.04 0.00 0.00 64.34 59.42 2k7k n VAL 21 Cb 0.32 -0.26 0.02 0.00 -1.47 0.00 0.00 33.84 32.44 2k7k n VAL 21 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2k7k n PHE 22 N -1.12 -1.90 -0.06 6.34 3.72 -1.26 -4.89 117.46 118.29 2k7k n PHE 22 Ca 0.22 0.83 -0.03 0.00 -0.05 0.00 0.00 57.45 58.42 2k7k n PHE 22 Cb 0.79 -4.12 -0.15 0.00 -0.94 0.00 0.00 39.48 35.05 2k7k n PHE 22 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 176.76 178.68 2k7k n PHE 23 N -4.37 0.14 -0.14 1.38 -1.74 -1.26 -4.28 117.46 107.18 2k7k n PHE 23 Ca -0.24 0.05 0.25 0.00 -0.56 0.00 0.00 57.45 56.95 2k7k n PHE 23 Cb 0.65 -0.87 0.69 0.00 1.52 0.00 0.00 39.48 41.47 2k7k n PHE 23 CO 0.00 0.00 0.00 0.07 -0.56 0.00 0.00 176.76 176.27 2k7k h ARG 24 N 0.00 0.06 -0.84 3.97 0.11 -1.98 0.12 114.38 115.82 2k7k h ARG 24 Ca -0.33 -0.00 0.21 0.00 0.10 0.00 0.00 59.98 59.96 2k7k h ARG 24 Cb 1.80 -0.01 -0.05 0.00 1.11 0.00 0.00 29.97 32.81 2k7k h ARG 24 CO 0.02 0.04 0.58 -0.22 0.10 0.00 0.00 179.97 180.49 2k7k h LYS 25 N 0.06 0.19 0.01 0.08 3.64 -1.98 -0.38 116.57 118.20 2k7k h LYS 25 Ca 0.39 -0.01 -0.32 0.00 -1.27 0.00 0.00 60.65 59.44 2k7k h LYS 25 Cb 1.46 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.19 2k7k h LYS 25 CO -0.03 0.13 -1.93 1.58 -2.27 0.00 0.00 179.45 176.93 2k7k n HIS 26 N -4.40 0.76 -0.26 1.91 -0.00 0.38 -4.25 115.22 109.36 2k7k n HIS 26 Ca 0.17 0.25 0.01 0.00 0.46 0.00 0.00 57.72 58.62 2k7k n HIS 26 Cb 0.77 -1.13 0.14 0.00 -0.12 0.00 0.00 29.99 29.65 2k7k n HIS 26 CO 0.00 0.00 0.00 1.15 0.46 0.00 0.00 176.34 177.95 2k7k h THR 27 N 0.01 0.90 -0.20 3.57 2.02 -0.74 -0.19 112.91 118.28 2k7k h THR 27 Ca -0.37 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 66.59 2k7k h THR 27 Cb 2.07 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.59 2k7k h THR 27 CO 0.06 0.13 0.02 -0.61 0.37 0.00 0.00 175.52 175.49 2k7k h GLN 28 N 0.70 0.09 0.00 6.66 4.15 -1.55 -1.72 115.11 123.44 2k7k h GLN 28 Ca 0.36 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.72 2k7k h GLN 28 Cb 0.32 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 2k7k h GLN 28 CO -0.24 0.06 -0.25 0.00 -1.93 0.00 0.00 178.83 176.47 2k7k h ALA 29 N 1.15 1.43 -0.07 3.38 0.00 -1.58 -2.41 119.26 121.16 2k7k h ALA 29 Ca 0.09 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2k7k h ALA 29 Cb 0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2k7k h ALA 29 CO -0.14 0.31 0.05 1.49 0.00 0.00 0.00 179.25 180.97 2k7k h GLU 30 N 0.00 0.00 0.00 0.00 4.57 -0.10 -0.46 114.58 118.60 2k7k h GLU 30 Ca -0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2k7k h GLU 30 Cb 0.49 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.08 2k7k h GLU 30 CO 0.03 0.00 -0.00 0.78 -1.18 0.00 0.00 179.01 178.64 2k7k h GLY 31 N 0.00 0.00 1.63 1.92 0.00 -1.32 -2.26 103.07 103.04 2k7k h GLY 31 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.13 2k7k h GLY 31 CO -0.00 0.00 -1.23 0.50 0.00 0.00 0.00 176.54 175.81 2k7k h LYS 32 N 0.00 0.00 -0.45 4.80 1.57 -1.24 -0.72 116.57 120.54 2k7k h LYS 32 Ca -0.00 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.91 2k7k h LYS 32 Cb 0.28 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2k7k h LYS 32 CO 0.00 0.79 0.39 0.87 -0.57 0.00 0.00 179.45 180.93 2k7k h LYS 33 N 0.00 0.00 0.00 3.15 6.56 -1.42 -3.33 116.57 121.53 2k7k h LYS 33 Ca -0.11 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.48 2k7k h LYS 33 Cb 1.83 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.49 2k7k h LYS 33 CO 0.11 0.00 -0.05 1.28 -2.06 0.00 0.00 179.45 178.73 2k7k n LEU 34 N -4.02 0.75 0.00 2.94 7.99 -1.24 -5.10 117.00 118.32 2k7k n LEU 34 Ca 0.08 0.10 0.00 0.00 -0.01 0.00 0.00 56.01 56.18 2k7k n LEU 34 Cb 0.58 -0.25 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 2k7k n LEU 34 CO 0.32 -0.64 0.00 0.61 -1.51 0.00 0.00 177.39 176.17 2k7k n GLY 35 N 3.33 -0.02 3.45 -0.72 0.00 -0.33 -5.04 105.19 105.86 2k7k n GLY 35 Ca -0.01 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 2k7k n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k7k s LEU 36 N 0.00 2.28 0.00 0.99 1.02 -0.88 -4.85 118.68 117.23 2k7k s LEU 36 Ca 0.00 -1.34 0.01 0.00 0.02 0.00 0.00 54.13 52.82 2k7k s LEU 36 Cb 0.00 -0.45 -0.00 0.00 0.02 0.00 0.00 46.19 45.76 2k7k s LEU 36 CO 0.00 -0.55 0.04 1.33 0.02 0.00 0.00 176.35 177.19 2k7k n VAL 37 N -0.68 0.00 0.00 -1.59 0.24 -0.99 -4.71 118.33 110.60 2k7k n VAL 37 Ca -0.03 -1.75 0.00 0.00 -2.04 0.00 0.00 64.34 60.52 2k7k n VAL 37 Cb 0.66 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 2k7k n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k7k n GLY 38 N 0.36 0.76 3.35 7.63 0.00 -1.25 -2.52 105.19 113.52 2k7k n GLY 38 Ca -0.11 -2.07 -0.17 0.00 0.00 0.00 0.00 46.02 43.67 2k7k n GLY 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2k7k s TRP 39 N -1.55 1.46 -0.04 1.61 -2.14 -1.24 -2.94 118.94 114.10 2k7k s TRP 39 Ca 0.00 -1.51 0.04 0.00 2.66 0.00 0.00 56.10 57.29 2k7k s TRP 39 Cb 0.00 -0.48 -0.00 0.00 -3.10 0.00 0.00 33.47 29.89 2k7k s TRP 39 CO 0.00 -0.94 -0.15 0.08 -2.66 0.00 0.00 176.95 173.27 2k7k s VAL 40 N -3.38 1.29 -0.03 -0.66 1.01 -1.25 -2.93 120.40 114.46 2k7k s VAL 40 Ca 0.37 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 2k7k s VAL 40 Cb 0.02 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.30 2k7k s VAL 40 CO 0.24 0.38 0.24 -1.58 0.00 0.00 0.00 175.10 174.37 2k7k s GLN 41 N 0.07 0.52 0.28 2.72 0.74 -1.25 -3.54 119.66 119.20 2k7k s GLN 41 Ca -0.04 -0.13 0.07 0.00 0.05 0.00 0.00 55.36 55.31 2k7k s GLN 41 Cb -0.11 0.23 -0.06 0.00 1.10 0.00 0.00 33.01 34.17 2k7k s GLN 41 CO 0.02 -0.12 -0.06 0.54 -0.55 0.00 0.00 175.29 175.11 2k7k s ASN 42 N -1.00 2.81 0.58 6.67 2.20 -1.26 -2.05 114.94 122.90 2k7k s ASN 42 Ca -0.11 -1.18 -0.06 0.00 -0.94 0.00 0.00 52.86 50.57 2k7k s ASN 42 Cb -0.05 -0.18 -0.00 0.00 -2.00 0.00 0.00 41.25 39.02 2k7k s ASN 42 CO 0.02 -0.33 0.89 0.42 -2.94 0.00 0.00 177.10 175.17 2k7k s THR 43 N -2.99 3.92 0.39 0.54 -4.23 -0.38 -4.84 115.64 108.05 2k7k s THR 43 Ca 0.29 0.09 0.08 0.00 -1.18 0.00 0.00 61.69 60.98 2k7k s THR 43 Cb 0.03 -3.55 0.30 0.00 1.34 0.00 0.00 72.50 70.63 2k7k s THR 43 CO 0.12 -0.57 1.98 0.44 -0.54 0.00 0.00 174.62 176.05 2k7k h ASP 44 N -0.13 0.55 -0.17 3.99 3.32 -2.02 -3.42 116.42 118.55 2k7k h ASP 44 Ca -0.46 0.00 0.24 0.00 0.02 0.00 0.00 57.03 56.83 2k7k h ASP 44 Cb 1.24 -0.12 -0.19 0.00 0.22 0.00 0.00 39.33 40.49 2k7k h ASP 44 CO 0.61 0.36 0.03 -0.60 -1.72 0.00 0.00 179.24 177.92 2k7k s ARG 45 N -5.57 0.10 0.00 3.56 6.06 -1.26 -5.06 118.95 116.77 2k7k s ARG 45 Ca -0.09 0.09 0.00 0.00 -2.50 0.00 0.00 55.73 53.24 2k7k s ARG 45 Cb 0.19 0.04 0.00 0.00 0.06 0.00 0.00 34.95 35.24 2k7k s ARG 45 CO 0.76 -0.18 0.00 0.41 -2.50 0.00 0.00 175.30 173.79 2k7k n GLY 46 N 5.08 -0.85 3.61 8.12 0.00 -1.26 -5.15 105.19 114.73 2k7k n GLY 46 Ca 0.10 0.40 -0.13 0.00 0.00 0.00 0.00 46.02 46.39 2k7k n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k7k s THR 47 N 0.00 0.00 -0.27 2.61 -4.23 -1.26 -4.79 115.64 107.70 2k7k s THR 47 Ca 0.00 -1.38 -0.01 0.00 -1.18 0.00 0.00 61.69 59.13 2k7k s THR 47 Cb 0.00 -2.78 0.04 0.00 1.34 0.00 0.00 72.50 71.10 2k7k s THR 47 CO 0.00 0.00 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.33 2k7k s VAL 48 N -2.65 2.75 -0.32 2.29 1.01 -1.24 -1.25 120.40 120.98 2k7k s VAL 48 Ca 0.25 -1.26 -0.05 0.00 0.00 0.00 0.00 61.98 60.92 2k7k s VAL 48 Cb -0.02 -2.49 0.04 0.00 0.00 0.00 0.00 36.38 33.90 2k7k s VAL 48 CO 0.18 0.06 0.07 -1.10 0.00 0.00 0.00 175.10 174.32 2k7k s GLN 49 N 1.26 2.67 0.00 2.72 -0.21 -0.87 -3.45 119.66 121.77 2k7k s GLN 49 Ca -0.03 -1.14 0.00 0.00 0.02 0.00 0.00 55.36 54.21 2k7k s GLN 49 Cb -0.18 -3.37 0.00 0.00 1.00 0.00 0.00 33.01 30.46 2k7k s GLN 49 CO -0.04 -0.61 0.00 0.41 -2.12 0.00 0.00 175.29 172.93 2k7k n GLY 50 N 4.78 4.03 3.28 3.09 0.00 -1.18 -3.89 105.19 115.29 2k7k n GLY 50 Ca -0.13 -1.93 -0.13 0.00 0.00 0.00 0.00 46.02 43.82 2k7k n GLY 50 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k7k s GLN 51 N 2.60 0.59 0.01 1.61 -0.44 -1.15 -3.84 119.66 119.03 2k7k s GLN 51 Ca 0.00 0.19 -0.01 0.00 -2.50 0.00 0.00 55.36 53.04 2k7k s GLN 51 Cb 0.00 0.27 -0.01 0.00 -1.64 0.00 0.00 33.01 31.63 2k7k s GLN 51 CO 0.00 -0.13 0.00 -1.17 0.50 0.00 0.00 175.29 174.49 2k7k s LEU 52 N -0.57 2.06 -0.05 3.68 2.96 -0.97 -3.72 118.68 122.07 2k7k s LEU 52 Ca -0.07 -0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 53.56 2k7k s LEU 52 Cb -0.04 0.13 0.02 0.00 0.50 0.00 0.00 46.19 46.81 2k7k s LEU 52 CO 0.03 -0.18 0.11 -1.58 -1.32 0.00 0.00 176.35 173.40 2k7k s GLN 53 N -0.84 0.09 0.00 1.98 0.74 -1.05 -2.26 119.66 118.31 2k7k s GLN 53 Ca -0.09 0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.55 2k7k s GLN 53 Cb -0.06 -0.07 0.00 0.00 1.10 0.00 0.00 33.01 33.98 2k7k s GLN 53 CO -0.00 -0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.06 2k7k n GLY 54 N 3.62 0.66 3.77 2.59 0.00 -0.51 -2.35 105.19 112.97 2k7k n GLY 54 Ca -0.20 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 2k7k n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k7k s PRO 55 N -2.00 3.54 0.58 1.61 0.04 -1.26 -0.77 135.00 136.73 2k7k s PRO 55 Ca 0.00 1.69 0.28 0.00 0.04 0.00 0.00 61.00 63.01 2k7k s PRO 55 Cb 0.00 -2.19 1.55 0.00 0.04 0.00 0.00 34.50 33.90 2k7k s PRO 55 CO 0.00 -0.72 2.02 0.97 0.04 0.00 0.00 177.00 179.31 2k7k h ILE 56 N 1.50 0.49 0.00 0.56 2.10 -1.80 0.31 117.51 120.67 2k7k h ILE 56 Ca -0.50 0.00 -0.05 0.00 1.08 0.00 0.00 64.86 65.39 2k7k h ILE 56 Cb 1.26 0.75 -0.01 0.00 -1.09 0.00 0.00 36.82 37.73 2k7k h ILE 56 CO 0.58 0.00 -0.23 0.28 -1.08 0.00 0.00 178.15 177.70 2k7k h SER 57 N 0.00 0.00 0.00 2.19 0.02 -1.88 -0.88 113.55 113.00 2k7k h SER 57 Ca 0.15 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.78 2k7k h SER 57 Cb 0.79 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.27 2k7k h SER 57 CO -0.00 0.23 -2.20 0.29 -1.14 0.00 0.00 176.83 174.01 2k7k n LYS 58 N -3.82 1.10 0.20 3.45 4.01 0.76 -4.39 118.16 119.47 2k7k n LYS 58 Ca -0.02 0.01 0.07 0.00 -0.51 0.00 0.00 58.31 57.86 2k7k n LYS 58 Cb 0.33 -1.44 0.38 0.00 -0.51 0.00 0.00 35.03 33.79 2k7k n LYS 58 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2k7k h VAL 59 N 0.00 0.78 -0.21 -0.18 2.07 -0.53 -1.60 116.25 116.59 2k7k h VAL 59 Ca -0.47 -1.36 -0.07 0.00 0.82 0.00 0.00 66.70 65.61 2k7k h VAL 59 Cb 2.03 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.65 2k7k h VAL 59 CO 0.01 0.31 -0.18 -0.09 0.02 0.00 0.00 177.57 177.65 2k7k h ARG 60 N 0.00 0.35 0.11 1.57 9.65 -1.36 -1.14 114.38 123.56 2k7k h ARG 60 Ca -0.00 -0.10 -0.35 0.00 -1.10 0.00 0.00 59.98 58.42 2k7k h ARG 60 Cb 0.83 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.35 2k7k h ARG 60 CO 0.04 0.53 -1.93 1.25 2.80 0.00 0.00 179.97 182.65 2k7k h HIS 61 N 0.33 0.41 -0.41 2.20 2.76 -1.74 -3.36 115.15 115.34 2k7k h HIS 61 Ca 0.06 -0.30 -0.00 0.00 -2.20 0.00 0.00 60.37 57.92 2k7k h HIS 61 Cb 0.50 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.43 2k7k h HIS 61 CO 0.01 1.65 0.24 1.98 -1.30 0.00 0.00 177.93 180.51 2k7k h MET 62 N 0.06 0.56 -0.52 5.26 1.85 -1.24 -2.06 114.93 118.85 2k7k h MET 62 Ca -0.40 -0.06 0.14 0.00 -0.61 0.00 0.00 59.70 58.77 2k7k h MET 62 Cb 2.03 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 33.93 2k7k h MET 62 CO 0.09 0.43 0.37 -0.56 -0.40 0.00 0.00 176.91 176.84 2k7k h GLN 63 N 0.54 0.08 -0.90 0.39 3.07 -1.38 0.19 115.11 117.11 2k7k h GLN 63 Ca 0.15 -0.00 -0.42 0.00 0.09 0.00 0.00 58.65 58.46 2k7k h GLN 63 Cb 0.02 -0.02 -0.25 0.00 0.08 0.00 0.00 27.48 27.31 2k7k h GLN 63 CO -0.03 0.05 0.51 0.39 0.09 0.00 0.00 178.83 179.85 2k7k n GLU 64 N -4.41 2.66 0.00 0.06 1.02 -0.79 -4.12 120.64 115.05 2k7k n GLU 64 Ca 0.09 -3.04 0.00 0.00 -0.02 0.00 0.00 57.16 54.19 2k7k n GLU 64 Cb 0.54 -2.17 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 2k7k n GLU 64 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 2k7k n TRP 65 N -0.86 0.00 0.15 -0.32 -0.00 0.62 -4.58 117.44 112.45 2k7k n TRP 65 Ca 0.53 0.00 -0.00 0.00 -0.00 0.00 0.00 57.50 58.03 2k7k n TRP 65 Cb 1.57 0.08 0.24 0.00 -0.00 0.00 0.00 31.31 33.20 2k7k n TRP 65 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 2k7k h LEU 66 N 0.00 0.01 -0.01 5.87 4.07 -1.58 0.28 115.31 123.95 2k7k h LEU 66 Ca 0.00 -0.01 -0.15 0.00 0.08 0.00 0.00 57.88 57.81 2k7k h LEU 66 Cb 0.56 -0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.27 2k7k h LEU 66 CO 0.00 0.53 -0.69 1.05 -1.08 0.00 0.00 178.44 178.25 2k7k h GLU 67 N 0.01 0.00 0.00 1.13 4.11 -1.82 -3.30 114.58 114.70 2k7k h GLU 67 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k7k h GLU 67 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2k7k h GLU 67 CO 0.07 0.69 0.00 0.25 0.07 0.00 0.00 179.01 180.09 2k7k n THR 68 N -3.28 0.00 0.00 -1.06 -2.24 -1.10 -4.89 114.28 101.72 2k7k n THR 68 Ca 0.01 0.33 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 2k7k n THR 68 Cb 0.81 -1.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 2k7k n THR 68 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2k7k n ARG 69 N -2.02 0.00 0.00 -0.78 3.00 0.83 -4.87 116.66 112.82 2k7k n ARG 69 Ca 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 57.85 58.20 2k7k n ARG 69 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 32.46 31.42 2k7k n ARG 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k7k n GLY 70 N 1.10 0.48 3.49 -0.13 0.00 -0.20 -4.70 105.19 105.24 2k7k n GLY 70 Ca 0.00 0.58 -0.09 0.00 0.00 0.00 0.00 46.02 46.50 2k7k n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k7k s SER 71 N -4.00 -0.43 0.76 1.61 1.04 -1.26 -4.81 113.70 106.61 2k7k s SER 71 Ca 0.00 -0.03 -0.11 0.00 0.48 0.00 0.00 55.95 56.29 2k7k s SER 71 Cb 0.00 0.47 0.05 0.00 0.10 0.00 0.00 66.02 66.64 2k7k s SER 71 CO 0.00 -0.77 1.09 -2.16 0.98 0.00 0.00 173.24 172.39 2k7k s PRO 72 N -3.37 2.34 -1.54 4.02 0.04 -1.26 -3.35 135.00 131.88 2k7k s PRO 72 Ca 0.04 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.28 2k7k s PRO 72 Cb -0.01 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2k7k s PRO 72 CO -0.10 -1.59 0.00 1.63 0.04 0.00 0.00 177.00 176.99 2k7k n LYS 73 N -3.35 -1.73 -3.19 4.56 4.01 -1.26 -4.85 118.16 112.35 2k7k n LYS 73 Ca 0.09 0.86 -0.24 0.00 -0.51 0.00 0.00 58.31 58.51 2k7k n LYS 73 Cb 0.53 -5.36 -0.06 0.00 -0.51 0.00 0.00 35.03 29.63 2k7k n LYS 73 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2k7k n SER 74 N -1.49 2.55 -4.48 4.39 2.88 -1.21 -4.60 113.62 111.65 2k7k n SER 74 Ca -0.18 -3.25 -0.46 0.00 -1.33 0.00 0.00 58.87 53.65 2k7k n SER 74 Cb 0.60 -0.62 -0.07 0.00 -0.75 0.00 0.00 64.21 63.37 2k7k n SER 74 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2k7k n HIS 75 N 0.57 1.45 -1.69 0.66 8.25 -1.26 -4.81 115.22 118.39 2k7k n HIS 75 Ca 0.27 0.23 -0.42 0.00 -0.26 0.00 0.00 57.72 57.54 2k7k n HIS 75 Cb 0.48 -2.55 -0.00 0.00 1.12 0.00 0.00 29.99 29.04 2k7k n HIS 75 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2k7k n ILE 76 N 7.46 3.43 -0.25 1.59 5.41 -1.26 -3.72 119.36 132.02 2k7k n ILE 76 Ca 0.43 -2.93 -0.06 0.00 1.00 0.00 0.00 62.75 61.18 2k7k n ILE 76 Cb 0.29 -2.60 0.05 0.00 -0.71 0.00 0.00 39.64 36.66 2k7k n ILE 76 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2k7k h ASP 77 N 6.02 0.91 -3.03 4.38 3.58 -1.75 -3.40 116.42 123.13 2k7k h ASP 77 Ca 0.58 -0.13 -0.53 0.00 0.42 0.00 0.00 57.03 57.37 2k7k h ASP 77 Cb 0.62 -0.23 -0.40 0.00 1.72 0.00 0.00 39.33 41.04 2k7k h ASP 77 CO 1.89 0.79 -0.77 -0.54 -2.88 0.00 0.00 179.24 177.73 2k7k s LYS 78 N -5.71 0.39 -0.49 0.28 -0.14 -1.25 -4.97 119.74 107.85 2k7k s LYS 78 Ca -0.13 -0.55 -0.10 0.00 -1.36 0.00 0.00 55.97 53.83 2k7k s LYS 78 Cb 0.14 -1.68 0.12 0.00 -1.68 0.00 0.00 37.83 34.73 2k7k s LYS 78 CO 0.80 -0.87 0.38 0.00 -0.76 0.00 0.00 175.35 174.91 2k7k s ALA 79 N 1.94 3.45 0.07 5.17 0.00 -1.26 -3.12 121.76 128.01 2k7k s ALA 79 Ca 0.06 -2.55 0.05 0.00 0.00 0.00 0.00 51.96 49.52 2k7k s ALA 79 Cb -0.17 -2.91 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 2k7k s ALA 79 CO -0.23 -1.93 -0.15 1.21 0.00 0.00 0.00 175.76 174.66 2k7k s ASN 80 N 2.82 1.78 0.53 0.00 3.84 -1.17 -5.03 114.94 117.71 2k7k s ASN 80 Ca 0.05 -0.60 0.04 0.00 0.21 0.00 0.00 52.86 52.57 2k7k s ASN 80 Cb -0.27 -0.07 0.02 0.00 -0.55 0.00 0.00 41.25 40.38 2k7k s ASN 80 CO -0.00 -0.04 0.29 0.72 -2.79 0.00 0.00 177.10 175.28 2k7k s PHE 81 N -1.19 1.74 0.57 0.43 -0.12 -1.26 -2.21 117.98 115.94 2k7k s PHE 81 Ca -0.00 -0.85 0.09 0.00 -0.05 0.00 0.00 56.93 56.11 2k7k s PHE 81 Cb -0.10 -1.84 0.08 0.00 -0.63 0.00 0.00 43.02 40.53 2k7k s PHE 81 CO 0.02 -0.26 0.70 -0.80 -0.05 0.00 0.00 175.22 174.83 2k7k s ASN 82 N -4.16 4.97 -0.86 1.98 -0.87 -1.25 -4.96 114.94 109.79 2k7k s ASN 82 Ca 0.27 -0.97 -0.25 0.00 -1.57 0.00 0.00 52.86 50.35 2k7k s ASN 82 Cb -0.01 0.37 -0.08 0.00 -0.02 0.00 0.00 41.25 41.51 2k7k s ASN 82 CO 0.17 -1.31 2.10 0.20 -2.57 0.00 0.00 177.10 175.69 2k7k s ASN 83 N -4.58 4.72 1.10 -1.22 -0.87 -1.26 -4.61 114.94 108.22 2k7k s ASN 83 Ca 0.55 -0.41 -0.18 0.00 -1.57 0.00 0.00 52.86 51.25 2k7k s ASN 83 Cb -0.05 -2.56 0.10 0.00 -0.02 0.00 0.00 41.25 38.72 2k7k s ASN 83 CO 0.35 -3.12 0.06 -1.84 -2.57 0.00 0.00 177.10 169.98 2k7k n GLU 84 N 8.85 -1.43 -3.97 -0.60 0.28 -1.26 -4.93 120.64 117.58 2k7k n GLU 84 Ca 0.42 -0.40 -0.10 0.00 -0.16 0.00 0.00 57.16 56.93 2k7k n GLU 84 Cb 0.46 -1.72 -0.07 0.00 1.43 0.00 0.00 31.44 31.54 2k7k n GLU 84 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2k7k s LYS 85 N -3.47 1.25 -0.05 3.44 -2.85 0.24 -4.98 119.74 113.31 2k7k s LYS 85 Ca 0.56 -1.20 0.01 0.00 -1.00 0.00 0.00 55.97 54.35 2k7k s LYS 85 Cb -0.13 0.40 -0.03 0.00 -2.06 0.00 0.00 37.83 36.01 2k7k s LYS 85 CO 0.66 -0.47 -0.06 0.54 0.10 0.00 0.00 175.35 176.12 2k7k s VAL 86 N -3.98 3.72 0.15 1.79 0.11 -1.26 -0.97 120.40 119.96 2k7k s VAL 86 Ca 0.19 -0.54 -0.02 0.00 -2.93 0.00 0.00 61.98 58.67 2k7k s VAL 86 Cb 0.03 -2.55 -0.03 0.00 -1.53 0.00 0.00 36.38 32.29 2k7k s VAL 86 CO 0.02 0.55 0.11 0.27 -3.33 0.00 0.00 175.10 172.72 2k7k s ILE 87 N -0.86 0.08 0.05 7.04 -0.00 0.21 -4.98 121.20 122.74 2k7k s ILE 87 Ca 0.14 -1.84 -0.32 0.00 -0.00 0.00 0.00 60.65 58.63 2k7k s ILE 87 Cb -0.11 -2.07 -0.18 0.00 -0.00 0.00 0.00 42.46 40.10 2k7k s ILE 87 CO 0.03 -0.37 1.46 -0.07 -0.00 0.00 0.00 174.94 175.99 2k7k h LEU 88 N 2.78 -0.99 0.00 0.37 3.38 -2.01 -3.28 115.31 115.56 2k7k h LEU 88 Ca -0.35 0.03 -0.30 0.00 0.09 0.00 0.00 57.88 57.36 2k7k h LEU 88 Cb 1.21 0.26 -0.08 0.00 0.09 0.00 0.00 40.66 42.14 2k7k h LEU 88 CO 0.56 -0.70 -0.28 0.29 0.09 0.00 0.00 178.44 178.41 2k7k n LYS 89 N -5.20 0.31 -0.92 1.13 5.02 -1.26 -4.33 118.16 112.91 2k7k n LYS 89 Ca -0.15 -2.20 -0.32 0.00 -2.02 0.00 0.00 58.31 53.63 2k7k n LYS 89 Cb 0.46 1.85 0.14 0.00 -0.02 0.00 0.00 35.03 37.47 2k7k n LYS 89 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k7k s LEU 90 N 0.00 3.00 -0.17 -0.35 1.43 -1.26 -4.97 118.68 116.36 2k7k s LEU 90 Ca 0.26 2.27 0.11 0.00 -1.03 0.00 0.00 54.13 55.73 2k7k s LEU 90 Cb 0.01 -4.58 -0.23 0.00 0.03 0.00 0.00 46.19 41.42 2k7k s LEU 90 CO 0.18 -2.86 0.16 -0.67 0.23 0.00 0.00 176.35 173.39 2k7k n ASP 91 N -3.75 0.86 -4.85 2.29 2.03 -1.26 -4.99 116.55 106.88 2k7k n ASP 91 Ca 0.13 0.08 -0.21 0.00 0.52 0.00 0.00 54.79 55.30 2k7k n ASP 91 Cb 0.51 0.26 -0.04 0.00 -0.72 0.00 0.00 41.12 41.14 2k7k n ASP 91 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2k7k s TYR 92 N -2.53 2.70 -0.18 -0.67 1.51 -1.26 -5.06 117.35 111.86 2k7k s TYR 92 Ca -0.16 -0.51 0.13 0.00 -1.01 0.00 0.00 57.07 55.53 2k7k s TYR 92 Cb 0.07 -2.13 -0.21 0.00 -0.11 0.00 0.00 41.96 39.59 2k7k s TYR 92 CO 0.77 -0.06 0.01 0.45 -1.11 0.00 0.00 175.55 175.61 2k7k n SER 93 N -1.49 0.94 -3.65 2.29 2.88 -1.26 -4.97 113.62 108.36 2k7k n SER 93 Ca 0.03 -0.02 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 2k7k n SER 93 Cb 0.62 0.69 -0.06 0.00 -0.75 0.00 0.00 64.21 64.71 2k7k n SER 93 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2k7k s ASP 94 N -5.37 0.58 -0.01 -3.46 1.47 -1.26 -5.02 116.67 103.60 2k7k s ASP 94 Ca -0.13 -1.36 -0.02 0.00 1.18 0.00 0.00 52.55 52.23 2k7k s ASP 94 Cb 0.06 0.57 -0.04 0.00 -0.34 0.00 0.00 42.92 43.17 2k7k s ASP 94 CO 0.69 -1.14 0.12 0.72 0.68 0.00 0.00 175.17 176.24 2k7k s PHE 95 N -3.57 3.40 0.02 2.11 -0.12 -1.26 -3.94 117.98 114.62 2k7k s PHE 95 Ca 0.31 0.28 -0.22 0.00 -0.05 0.00 0.00 56.93 57.26 2k7k s PHE 95 Cb 0.01 -1.78 0.05 0.00 -0.63 0.00 0.00 43.02 40.67 2k7k s PHE 95 CO 0.17 0.60 0.50 -0.65 -0.05 0.00 0.00 175.22 175.78 2k7k s GLN 96 N -1.77 0.96 0.01 1.99 -0.21 -1.15 -4.99 119.66 114.49 2k7k s GLN 96 Ca 0.24 -0.15 -0.07 0.00 0.02 0.00 0.00 55.36 55.40 2k7k s GLN 96 Cb -0.12 0.44 -0.05 0.00 1.00 0.00 0.00 33.01 34.28 2k7k s GLN 96 CO 0.15 -0.32 0.28 0.42 -2.12 0.00 0.00 175.29 173.70 2k7k s ILE 97 N -2.00 5.29 -0.16 1.08 1.01 -1.26 -3.86 121.20 121.30 2k7k s ILE 97 Ca -0.08 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.78 2k7k s ILE 97 Cb -0.01 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.89 2k7k s ILE 97 CO 0.02 0.37 -0.16 -0.69 0.00 0.00 0.00 174.94 174.48 2k7k s VAL 98 N -1.29 2.55 -2.54 2.92 1.01 -1.23 -4.94 120.40 116.87 2k7k s VAL 98 Ca 0.27 -0.80 0.28 0.00 0.00 0.00 0.00 61.98 61.73 2k7k s VAL 98 Cb -0.13 -2.07 0.52 0.00 0.00 0.00 0.00 36.38 34.70 2k7k s VAL 98 CO 0.16 0.52 1.71 1.17 0.00 0.00 0.00 175.10 178.65