#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 -2.63 1.02 4.61 0.00 -1.26 -5.18 121.76 118.32 2k7k s ALA 2 Ca 0.00 2.03 -0.15 0.00 0.00 0.00 0.00 51.96 53.84 2k7k s ALA 2 Cb 0.00 -1.95 0.21 0.00 0.00 0.00 0.00 23.12 21.38 2k7k s ALA 2 CO 0.00 -0.47 1.16 -0.85 0.00 0.00 0.00 175.76 175.59 2k7k n GLU 3 N 3.65 -1.31 0.00 0.00 0.28 -1.26 -4.92 120.64 117.08 2k7k n GLU 3 Ca -0.15 -1.79 0.00 0.00 -0.16 0.00 0.00 57.16 55.06 2k7k n GLU 3 Cb 0.56 -1.23 0.00 0.00 1.43 0.00 0.00 31.44 32.20 2k7k n GLU 3 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k7k n GLY 4 N -2.78 0.76 3.46 -1.84 0.00 -1.26 -4.94 105.19 98.58 2k7k n GLY 4 Ca 0.15 -0.09 -0.43 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 0.00 6.23 -0.27 1.61 0.01 -1.26 -3.86 114.94 117.40 2k7k s ASN 5 Ca 0.00 -1.09 -0.05 0.00 -0.71 0.00 0.00 52.86 51.01 2k7k s ASN 5 Cb 0.00 -2.43 0.15 0.00 0.41 0.00 0.00 41.25 39.38 2k7k s ASN 5 CO 0.00 -1.43 0.55 -0.89 -1.51 0.00 0.00 177.10 173.82 2k7k s THR 6 N 4.03 -0.88 0.21 1.60 2.01 -1.26 -5.03 115.64 116.33 2k7k s THR 6 Ca 0.25 0.02 -0.31 0.00 0.31 0.00 0.00 61.69 61.96 2k7k s THR 6 Cb -0.15 -0.91 -0.10 0.00 0.01 0.00 0.00 72.50 71.35 2k7k s THR 6 CO 0.08 -0.01 1.47 -0.76 -0.69 0.00 0.00 174.62 174.70 2k7k s LEU 7 N 2.78 4.38 0.06 4.42 2.01 -1.26 -1.49 118.68 129.57 2k7k s LEU 7 Ca 0.08 2.62 -0.04 0.00 0.01 0.00 0.00 54.13 56.79 2k7k s LEU 7 Cb -0.14 -3.61 -0.02 0.00 0.01 0.00 0.00 46.19 42.43 2k7k s LEU 7 CO -0.18 -0.73 0.05 0.27 1.01 0.00 0.00 176.35 176.77 2k7k s ILE 8 N 0.40 0.18 0.08 -0.59 -4.36 0.74 -3.51 121.20 114.15 2k7k s ILE 8 Ca 0.63 -1.48 0.08 0.00 -0.26 0.00 0.00 60.65 59.61 2k7k s ILE 8 Cb -0.42 -1.30 -0.04 0.00 1.25 0.00 0.00 42.46 41.95 2k7k s ILE 8 CO 0.39 -0.82 -0.16 -0.94 0.24 0.00 0.00 174.94 173.65 2k7k s SER 9 N -2.69 3.99 -0.28 4.36 1.04 0.72 -2.18 113.70 118.66 2k7k s SER 9 Ca 0.03 -0.46 -0.24 0.00 0.48 0.00 0.00 55.95 55.76 2k7k s SER 9 Cb 0.05 -0.65 0.12 0.00 0.10 0.00 0.00 66.02 65.64 2k7k s SER 9 CO -0.09 0.21 0.99 0.54 0.98 0.00 0.00 173.24 175.87 2k7k s VAL 10 N -1.08 0.00 0.26 5.02 0.11 -1.21 -2.06 120.40 121.43 2k7k s VAL 10 Ca 0.17 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.31 2k7k s VAL 10 Cb -0.11 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.70 2k7k s VAL 10 CO 0.09 0.00 0.05 -0.62 -3.33 0.00 0.00 175.10 171.29 2k7k s ASP 11 N 0.34 4.83 0.01 3.54 -1.08 -1.26 -2.38 116.67 120.67 2k7k s ASP 11 Ca 0.02 -0.53 0.02 0.00 -0.52 0.00 0.00 52.55 51.54 2k7k s ASP 11 Cb -0.05 -1.01 -0.01 0.00 -1.46 0.00 0.00 42.92 40.39 2k7k s ASP 11 CO -0.06 -0.01 -0.07 -0.72 0.52 0.00 0.00 175.17 174.83 2k7k s TYR 12 N -2.26 0.61 0.01 -5.34 -0.85 -0.16 -0.65 117.35 108.72 2k7k s TYR 12 Ca 0.32 -0.24 0.07 0.00 -0.52 0.00 0.00 57.07 56.69 2k7k s TYR 12 Cb -0.07 -0.38 -0.02 0.00 0.38 0.00 0.00 41.96 41.87 2k7k s TYR 12 CO 0.21 -0.03 -0.20 -2.00 -1.52 0.00 0.00 175.55 172.01 2k7k s GLU 13 N -0.67 1.48 0.04 -3.49 2.12 -0.93 -2.67 118.70 114.58 2k7k s GLU 13 Ca -0.02 -0.81 0.04 0.00 0.36 0.00 0.00 54.97 54.55 2k7k s GLU 13 Cb -0.05 -1.50 -0.02 0.00 0.26 0.00 0.00 34.13 32.81 2k7k s GLU 13 CO 0.00 0.40 -0.12 0.42 -0.54 0.00 0.00 175.26 175.42 2k7k s ILE 14 N -0.62 0.92 0.05 -3.70 -1.09 -1.23 -2.90 121.20 112.63 2k7k s ILE 14 Ca 0.07 -1.02 0.04 0.00 -2.23 0.00 0.00 60.65 57.52 2k7k s ILE 14 Cb -0.08 -0.87 -0.02 0.00 -1.58 0.00 0.00 42.46 39.91 2k7k s ILE 14 CO 0.00 -0.13 -0.12 0.12 -1.23 0.00 0.00 174.94 173.58 2k7k s PHE 15 N -1.00 1.08 0.00 3.97 5.36 -1.21 -3.54 117.98 122.64 2k7k s PHE 15 Ca -0.02 -0.39 0.00 0.00 -0.96 0.00 0.00 56.93 55.56 2k7k s PHE 15 Cb -0.08 -0.63 0.00 0.00 -0.34 0.00 0.00 43.02 41.96 2k7k s PHE 15 CO 0.01 0.02 0.00 0.41 -1.46 0.00 0.00 175.22 174.20 2k7k n GLY 16 N 1.73 0.39 2.32 13.12 0.00 -1.26 -0.69 105.19 120.80 2k7k n GLY 16 Ca -0.19 -1.12 -0.25 0.00 0.00 0.00 0.00 46.02 44.46 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 2.25 -0.94 1.61 3.00 -1.20 -4.41 118.16 118.46 2k7k n LYS 17 Ca 0.00 -2.23 -0.10 0.00 -0.00 0.00 0.00 58.31 55.99 2k7k n LYS 17 Cb 0.00 -2.00 0.19 0.00 0.00 0.00 0.00 35.03 33.23 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 0.52 2.73 -3.82 3.15 0.24 -1.26 -3.84 118.33 116.06 2k7k n VAL 18 Ca 0.44 -2.59 -0.29 0.00 -2.04 0.00 0.00 64.34 59.86 2k7k n VAL 18 Cb 0.55 -0.38 -0.16 0.00 -1.47 0.00 0.00 33.84 32.38 2k7k n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k7k s GLN 19 N -3.28 1.06 0.00 7.34 -2.07 -1.26 -4.39 119.66 117.06 2k7k s GLN 19 Ca 0.48 -0.74 0.00 0.00 -1.82 0.00 0.00 55.36 53.28 2k7k s GLN 19 Cb 0.43 -2.31 0.00 0.00 -1.09 0.00 0.00 33.01 30.04 2k7k s GLN 19 CO 0.02 -0.67 0.00 0.41 -1.32 0.00 0.00 175.29 173.73 2k7k n GLY 20 N 4.86 0.52 3.10 2.60 0.00 -1.26 -5.11 105.19 109.90 2k7k n GLY 20 Ca -0.09 -0.31 -0.08 0.00 0.00 0.00 0.00 46.02 45.54 2k7k n GLY 20 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k7k s VAL 21 N -2.21 0.18 -1.23 1.61 -7.23 -1.26 -5.08 120.40 105.17 2k7k s VAL 21 Ca 0.00 -1.48 -0.14 0.00 -1.81 0.00 0.00 61.98 58.55 2k7k s VAL 21 Cb 0.00 -1.23 0.16 0.00 0.56 0.00 0.00 36.38 35.87 2k7k s VAL 21 CO 0.00 -0.82 1.51 0.49 -0.31 0.00 0.00 175.10 175.97 2k7k n PHE 22 N 0.39 4.78 -0.01 2.82 3.72 -1.26 -4.51 117.46 123.39 2k7k n PHE 22 Ca -0.16 -3.26 -0.01 0.00 -0.05 0.00 0.00 57.45 53.97 2k7k n PHE 22 Cb 0.60 -2.23 -0.02 0.00 -0.94 0.00 0.00 39.48 36.90 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 5.81 0.00 0.17 1.38 -1.74 -1.26 -4.63 117.46 117.19 2k7k n PHE 23 Ca 0.39 0.00 0.16 0.00 -0.56 0.00 0.00 57.45 57.44 2k7k n PHE 23 Cb 0.42 -0.11 0.76 0.00 1.52 0.00 0.00 39.48 42.07 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 0.00 -0.19 3.97 -0.00 -1.98 0.25 114.38 116.43 2k7k h ARG 24 Ca -0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.88 2k7k h ARG 24 Cb 1.14 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.10 2k7k h ARG 24 CO 0.00 0.00 -0.06 0.87 -0.00 0.00 0.00 179.97 180.78 2k7k h LYS 25 N 0.00 0.28 0.00 0.08 1.57 -1.94 -1.38 116.57 115.19 2k7k h LYS 25 Ca 0.11 -0.05 -0.36 0.00 -1.87 0.00 0.00 60.65 58.48 2k7k h LYS 25 Cb 0.50 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.70 2k7k h LYS 25 CO -0.00 0.36 -2.26 1.58 -0.57 0.00 0.00 179.45 178.56 2k7k n HIS 26 N -4.32 0.21 -0.23 -1.35 -0.00 0.01 -4.36 115.22 105.18 2k7k n HIS 26 Ca -0.00 0.07 -0.06 0.00 0.46 0.00 0.00 57.72 58.19 2k7k n HIS 26 Cb 0.23 -1.04 0.09 0.00 -0.12 0.00 0.00 29.99 29.14 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 0.00 1.26 -0.80 3.57 2.02 -0.48 0.24 112.91 118.72 2k7k h THR 27 Ca -0.50 -0.92 0.23 0.00 0.77 0.00 0.00 66.41 65.99 2k7k h THR 27 Cb 2.17 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 69.07 2k7k h THR 27 CO 0.03 0.35 0.58 -0.61 0.37 0.00 0.00 175.52 176.24 2k7k h GLN 28 N 1.03 0.00 0.00 6.66 4.15 -1.45 -0.80 115.11 124.71 2k7k h GLN 28 Ca 0.22 -0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.44 2k7k h GLN 28 Cb 0.33 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.98 2k7k h GLN 28 CO -0.00 0.00 -2.08 0.00 -1.93 0.00 0.00 178.83 174.82 2k7k n ALA 29 N -2.69 2.00 0.21 3.38 0.00 -0.92 -4.34 120.51 118.15 2k7k n ALA 29 Ca 0.16 -0.89 0.17 0.00 0.00 0.00 0.00 53.44 52.88 2k7k n ALA 29 Cb 0.87 -0.33 0.84 0.00 0.00 0.00 0.00 19.45 20.83 2k7k n ALA 29 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k7k h GLU 30 N 0.00 0.00 0.00 0.00 4.81 0.96 0.24 114.58 120.58 2k7k h GLU 30 Ca -0.30 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.91 2k7k h GLU 30 Cb 1.62 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.00 2k7k h GLU 30 CO 0.02 0.00 -0.15 0.78 -0.73 0.00 0.00 179.01 178.92 2k7k h GLY 31 N 0.00 0.00 2.00 1.92 0.00 -1.67 -2.97 103.07 102.35 2k7k h GLY 31 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2k7k h GLY 31 CO -0.00 0.00 -0.03 0.07 0.00 0.00 0.00 176.54 176.58 2k7k h LYS 32 N -1.00 0.00 -0.02 4.80 5.09 -1.67 0.29 116.57 124.05 2k7k h LYS 32 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.71 2k7k h LYS 32 Cb 0.53 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.86 2k7k h LYS 32 CO -0.02 0.03 -0.00 1.17 -2.09 0.00 0.00 179.45 178.54 2k7k n LYS 33 N -3.19 1.89 0.00 0.07 4.81 0.81 -4.63 118.16 117.92 2k7k n LYS 33 Ca -0.01 -1.30 0.00 0.00 -0.87 0.00 0.00 58.31 56.13 2k7k n LYS 33 Cb 0.22 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 33.79 2k7k n LYS 33 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2k7k n LEU 34 N 0.58 0.00 0.00 3.14 7.94 -0.38 -5.01 117.00 123.26 2k7k n LEU 34 Ca 0.17 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.07 2k7k n LEU 34 Cb 0.44 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.39 2k7k n LEU 34 CO 0.16 -0.50 0.00 0.61 -1.11 0.00 0.00 177.39 176.55 2k7k n GLY 35 N 3.16 0.79 1.69 -3.96 0.00 0.87 -4.99 105.19 102.75 2k7k n GLY 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k7k n GLY 35 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k7k n LEU 36 N 0.00 0.18 -4.06 0.99 -0.00 -1.23 -4.86 117.00 108.02 2k7k n LEU 36 Ca 0.00 0.29 -0.13 0.00 -0.00 0.00 0.00 56.01 56.18 2k7k n LEU 36 Cb 0.00 0.14 -0.04 0.00 -0.00 0.00 0.00 43.42 43.51 2k7k n LEU 36 CO 0.00 -0.72 0.15 0.68 -0.00 0.00 0.00 177.39 177.50 2k7k s VAL 37 N -1.75 0.00 0.00 1.96 -7.23 -1.24 -4.26 120.40 107.87 2k7k s VAL 37 Ca 0.00 -1.54 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 2k7k s VAL 37 Cb 0.00 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.41 2k7k s VAL 37 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 2k7k n GLY 38 N -0.50 2.23 3.13 2.32 0.00 -1.26 -3.22 105.19 107.90 2k7k n GLY 38 Ca -0.00 -0.98 -0.17 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.00 1.02 -0.08 1.61 -2.14 -1.24 -3.18 118.94 112.92 2k7k s TRP 39 Ca 0.00 -0.45 -0.09 0.00 2.66 0.00 0.00 56.10 58.22 2k7k s TRP 39 Cb 0.00 -0.59 -0.04 0.00 -3.10 0.00 0.00 33.47 29.74 2k7k s TRP 39 CO 0.00 0.01 0.21 0.08 -2.66 0.00 0.00 176.95 174.59 2k7k s VAL 40 N -1.22 5.38 -0.09 -0.66 1.01 -1.25 -3.83 120.40 119.75 2k7k s VAL 40 Ca -0.04 0.36 -0.10 0.00 0.00 0.00 0.00 61.98 62.20 2k7k s VAL 40 Cb -0.10 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.83 2k7k s VAL 40 CO 0.01 0.60 0.27 -1.58 0.00 0.00 0.00 175.10 174.40 2k7k s GLN 41 N -1.08 0.37 0.32 2.72 0.74 -1.09 -2.67 119.66 118.96 2k7k s GLN 41 Ca 0.18 0.27 0.09 0.00 0.05 0.00 0.00 55.36 55.95 2k7k s GLN 41 Cb -0.13 0.17 -0.05 0.00 1.10 0.00 0.00 33.01 34.10 2k7k s GLN 41 CO 0.07 -0.06 -0.01 0.54 -0.55 0.00 0.00 175.29 175.28 2k7k s ASN 42 N -0.12 4.21 0.37 6.67 2.20 -1.26 -0.32 114.94 126.68 2k7k s ASN 42 Ca -0.02 -0.91 0.08 0.00 -0.94 0.00 0.00 52.86 51.06 2k7k s ASN 42 Cb -0.03 -0.58 -0.07 0.00 -2.00 0.00 0.00 41.25 38.57 2k7k s ASN 42 CO 0.01 -0.15 -0.04 0.42 -2.94 0.00 0.00 177.10 174.40 2k7k s THR 43 N -2.47 2.04 -0.05 0.54 -4.23 -0.83 -4.84 115.64 105.80 2k7k s THR 43 Ca 0.34 -2.09 0.13 0.00 -1.18 0.00 0.00 61.69 58.88 2k7k s THR 43 Cb -0.02 -2.81 -0.10 0.00 1.34 0.00 0.00 72.50 70.91 2k7k s THR 43 CO 0.19 -0.10 1.15 -0.78 -0.54 0.00 0.00 174.62 174.54 2k7k h ASP 44 N 1.93 0.00 -0.61 3.99 3.58 -2.02 -3.33 116.42 119.96 2k7k h ASP 44 Ca -0.43 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.02 2k7k h ASP 44 Cb 1.24 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.26 2k7k h ASP 44 CO 0.75 0.74 0.38 0.03 -2.88 0.00 0.00 179.24 178.26 2k7k h ARG 45 N 0.00 0.81 0.00 0.28 2.47 -2.05 -3.46 114.38 112.43 2k7k h ARG 45 Ca -0.08 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 2k7k h ARG 45 Cb 1.63 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.78 2k7k h ARG 45 CO 0.08 0.57 0.00 0.41 0.56 0.00 0.00 179.97 181.59 2k7k n GLY 46 N -1.19 0.55 3.10 0.04 0.00 -1.25 -5.16 105.19 101.27 2k7k n GLY 46 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.92 0.06 -0.18 2.61 -4.23 -1.26 -4.56 115.64 107.16 2k7k s THR 47 Ca 0.00 -0.46 -0.17 0.00 -1.18 0.00 0.00 61.69 59.88 2k7k s THR 47 Cb 0.00 -0.39 -0.04 0.00 1.34 0.00 0.00 72.50 73.42 2k7k s THR 47 CO 0.00 -0.25 0.44 -0.69 -0.54 0.00 0.00 174.62 173.58 2k7k s VAL 48 N -0.90 5.18 -0.36 2.29 1.01 -1.23 -1.96 120.40 124.42 2k7k s VAL 48 Ca -0.10 0.83 -0.09 0.00 0.00 0.00 0.00 61.98 62.62 2k7k s VAL 48 Cb -0.05 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.59 2k7k s VAL 48 CO 0.01 0.26 0.17 -1.10 0.00 0.00 0.00 175.10 174.44 2k7k s GLN 49 N 1.18 2.70 -0.09 2.72 -0.21 0.56 -3.49 119.66 123.03 2k7k s GLN 49 Ca 0.22 -1.17 0.04 0.00 0.02 0.00 0.00 55.36 54.47 2k7k s GLN 49 Cb -0.15 -3.62 -0.01 0.00 1.00 0.00 0.00 33.01 30.24 2k7k s GLN 49 CO 0.09 -0.72 -0.23 0.20 -2.12 0.00 0.00 175.29 172.51 2k7k s GLY 50 N 1.55 1.35 -0.17 3.09 0.00 -1.09 -2.68 107.32 109.36 2k7k s GLY 50 Ca 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.75 2k7k s GLY 50 CO 0.04 -0.41 -0.16 1.62 0.00 0.00 0.00 173.10 174.20 2k7k s GLN 51 N 0.18 2.51 0.37 2.90 0.74 -1.25 -0.99 119.66 124.12 2k7k s GLN 51 Ca -0.13 -0.75 0.07 0.00 0.05 0.00 0.00 55.36 54.60 2k7k s GLN 51 Cb -0.16 -2.37 -0.01 0.00 1.10 0.00 0.00 33.01 31.56 2k7k s GLN 51 CO 0.07 -0.28 0.43 -0.48 -0.55 0.00 0.00 175.29 174.49 2k7k s LEU 52 N 1.38 3.67 -0.19 3.68 0.05 -1.00 -3.65 118.68 122.62 2k7k s LEU 52 Ca 0.03 -0.45 -0.06 0.00 0.05 0.00 0.00 54.13 53.71 2k7k s LEU 52 Cb -0.14 -2.44 0.09 0.00 -2.05 0.00 0.00 46.19 41.65 2k7k s LEU 52 CO -0.11 -0.55 0.37 -1.58 -0.55 0.00 0.00 176.35 173.94 2k7k s GLN 53 N -4.16 0.28 -0.01 1.48 2.00 -1.20 -3.34 119.66 114.70 2k7k s GLN 53 Ca 0.47 0.88 -0.19 0.00 -2.00 0.00 0.00 55.36 54.52 2k7k s GLN 53 Cb -0.07 0.11 0.06 0.00 0.80 0.00 0.00 33.01 33.91 2k7k s GLN 53 CO 0.30 -0.32 0.87 0.41 -0.50 0.00 0.00 175.29 176.04 2k7k n GLY 54 N 5.38 0.36 3.77 2.59 0.00 -0.93 -3.72 105.19 112.65 2k7k n GLY 54 Ca -0.07 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.01 3.56 0.58 1.61 0.04 -1.26 -0.18 135.00 137.34 2k7k s PRO 55 Ca 0.20 1.70 0.28 0.00 0.04 0.00 0.00 61.00 63.22 2k7k s PRO 55 Cb -0.01 -2.21 1.58 0.00 0.04 0.00 0.00 34.50 33.90 2k7k s PRO 55 CO -0.00 -0.70 2.04 0.97 0.04 0.00 0.00 177.00 179.35 2k7k h ILE 56 N 1.55 0.48 0.00 0.56 2.10 -1.47 0.34 117.51 121.06 2k7k h ILE 56 Ca -0.50 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.38 2k7k h ILE 56 Cb 1.25 0.77 -0.01 0.00 -1.09 0.00 0.00 36.82 37.75 2k7k h ILE 56 CO 0.59 0.00 -0.31 -1.28 -1.08 0.00 0.00 178.15 176.07 2k7k h SER 57 N 0.00 0.00 0.00 2.19 0.87 -1.85 -0.63 113.55 114.13 2k7k h SER 57 Ca 0.13 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.39 2k7k h SER 57 Cb 0.71 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.61 2k7k h SER 57 CO -0.00 0.31 -2.25 0.29 -0.53 0.00 0.00 176.83 174.64 2k7k n LYS 58 N -3.68 0.86 0.13 2.24 4.76 0.76 -4.36 118.16 118.87 2k7k n LYS 58 Ca -0.01 -0.03 -0.00 0.00 -2.87 0.00 0.00 58.31 55.39 2k7k n LYS 58 Cb 0.42 -1.49 0.10 0.00 -1.84 0.00 0.00 35.03 32.22 2k7k n LYS 58 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2k7k h VAL 59 N 0.00 1.24 -0.14 -0.18 2.07 -0.48 -3.12 116.25 115.64 2k7k h VAL 59 Ca -0.45 -2.36 0.04 0.00 0.82 0.00 0.00 66.70 64.76 2k7k h VAL 59 Cb 2.01 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 34.12 2k7k h VAL 59 CO 0.02 0.62 0.14 0.03 0.02 0.00 0.00 177.57 178.40 2k7k h ARG 60 N 0.00 0.00 0.12 1.57 2.47 -1.31 -2.10 114.38 115.14 2k7k h ARG 60 Ca -0.01 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 58.38 2k7k h ARG 60 Cb 1.30 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.61 2k7k h ARG 60 CO 0.08 0.00 -1.77 1.25 0.56 0.00 0.00 179.97 180.09 2k7k h HIS 61 N 0.00 0.47 -0.67 3.04 2.76 -1.79 -3.34 115.15 115.63 2k7k h HIS 61 Ca 0.07 -0.35 0.12 0.00 -2.20 0.00 0.00 60.37 58.01 2k7k h HIS 61 Cb 0.34 -0.02 -0.09 0.00 1.55 0.00 0.00 27.41 29.19 2k7k h HIS 61 CO 0.00 1.70 0.23 0.52 -1.30 0.00 0.00 177.93 179.07 2k7k h MET 62 N -0.10 0.37 -0.96 5.26 2.86 -1.36 0.44 114.93 121.43 2k7k h MET 62 Ca -0.38 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.26 2k7k h MET 62 Cb 1.92 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 33.45 2k7k h MET 62 CO 0.07 0.24 0.63 -0.56 1.06 0.00 0.00 176.91 178.35 2k7k h GLN 63 N 0.38 1.22 -0.88 1.72 3.07 -1.59 0.12 115.11 119.14 2k7k h GLN 63 Ca 0.36 -0.07 -0.27 0.00 0.09 0.00 0.00 58.65 58.75 2k7k h GLN 63 Cb 0.52 -0.27 -0.16 0.00 0.08 0.00 0.00 27.48 27.64 2k7k h GLN 63 CO -0.38 0.81 0.35 -0.85 0.09 0.00 0.00 178.83 178.84 2k7k n GLU 64 N -4.45 2.83 0.00 0.06 0.28 -0.19 -3.75 120.64 115.42 2k7k n GLU 64 Ca 0.12 -2.53 0.00 0.00 -0.16 0.00 0.00 57.16 54.59 2k7k n GLU 64 Cb 0.06 -2.03 0.00 0.00 1.43 0.00 0.00 31.44 30.89 2k7k n GLU 64 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 177.13 178.84 2k7k n TRP 65 N -0.36 0.00 1.18 -1.84 -0.00 -0.03 -4.60 117.44 111.78 2k7k n TRP 65 Ca 0.40 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 58.03 2k7k n TRP 65 Cb 1.32 0.00 0.47 0.00 -0.00 0.00 0.00 31.31 33.09 2k7k n TRP 65 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2k7k n LEU 66 N -1.98 0.47 -0.04 5.87 4.77 -0.09 -0.11 117.00 125.89 2k7k n LEU 66 Ca 0.00 0.06 0.01 0.00 -0.03 0.00 0.00 56.01 56.06 2k7k n LEU 66 Cb 0.27 -0.26 -0.15 0.00 -2.33 0.00 0.00 43.42 40.95 2k7k n LEU 66 CO 0.00 0.10 -0.86 -1.84 -1.33 0.00 0.00 177.39 173.46 2k7k n GLU 67 N -1.18 0.67 -0.04 3.23 0.28 -1.25 -4.65 120.64 117.69 2k7k n GLU 67 Ca 0.10 -0.07 -0.06 0.00 -0.16 0.00 0.00 57.16 56.97 2k7k n GLU 67 Cb 0.32 -1.56 -0.03 0.00 1.43 0.00 0.00 31.44 31.60 2k7k n GLU 67 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 2k7k n THR 68 N -2.53 0.43 -3.36 3.84 5.66 -1.24 -4.90 114.28 112.18 2k7k n THR 68 Ca -0.16 -0.15 -0.40 0.00 -3.05 0.00 0.00 64.05 60.29 2k7k n THR 68 Cb 0.84 -0.93 -0.09 0.00 -1.55 0.00 0.00 70.33 68.61 2k7k n THR 68 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 2k7k s ARG 69 N -2.15 3.96 0.04 1.09 3.00 0.84 -5.05 118.95 120.67 2k7k s ARG 69 Ca -0.10 0.03 -0.21 0.00 -1.00 0.00 0.00 55.73 54.45 2k7k s ARG 69 Cb 0.03 -3.68 0.05 0.00 0.00 0.00 0.00 34.95 31.35 2k7k s ARG 69 CO 0.17 -0.34 0.48 0.20 0.00 0.00 0.00 175.30 175.81 2k7k s GLY 70 N 1.64 -0.37 0.96 8.12 0.00 -1.26 -4.13 107.32 112.28 2k7k s GLY 70 Ca 0.16 0.53 -0.13 0.00 0.00 0.00 0.00 44.72 45.28 2k7k s GLY 70 CO 0.10 0.25 0.35 -1.14 0.00 0.00 0.00 173.10 172.66 2k7k n SER 71 N 0.52 -2.22 0.19 1.64 3.41 -1.26 -4.89 113.62 111.01 2k7k n SER 71 Ca -0.19 0.30 0.05 0.00 -0.26 0.00 0.00 58.87 58.77 2k7k n SER 71 Cb 0.60 -1.18 0.37 0.00 -0.26 0.00 0.00 64.21 63.74 2k7k n SER 71 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2k7k h PRO 72 N -1.58 0.00 -0.78 4.33 0.13 -2.01 -2.85 132.00 129.25 2k7k h PRO 72 Ca -0.44 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.39 2k7k h PRO 72 Cb 1.29 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.24 2k7k h PRO 72 CO 0.34 0.38 0.36 1.63 -0.23 0.00 0.00 178.00 180.48 2k7k n LYS 73 N -3.75 3.11 -3.16 0.86 4.76 -1.26 -4.56 118.16 114.15 2k7k n LYS 73 Ca -0.01 -3.07 -0.22 0.00 -2.87 0.00 0.00 58.31 52.14 2k7k n LYS 73 Cb 0.46 -2.17 -0.05 0.00 -1.84 0.00 0.00 35.03 31.43 2k7k n LYS 73 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2k7k n SER 74 N -0.55 1.58 -4.69 4.39 2.88 -1.07 -4.50 113.62 111.65 2k7k n SER 74 Ca 0.46 -3.09 -0.52 0.00 -1.33 0.00 0.00 58.87 54.39 2k7k n SER 74 Cb 1.44 -0.62 -0.06 0.00 -0.75 0.00 0.00 64.21 64.23 2k7k n SER 74 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2k7k n HIS 75 N 0.50 2.20 -2.87 0.66 -0.00 -1.25 -4.64 115.22 109.81 2k7k n HIS 75 Ca 0.26 0.23 -0.43 0.00 0.46 0.00 0.00 57.72 58.23 2k7k n HIS 75 Cb 0.56 -2.57 0.01 0.00 -0.12 0.00 0.00 29.99 27.86 2k7k n HIS 75 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 2k7k n ILE 76 N 4.80 4.80 -0.20 3.57 5.41 -1.26 -3.27 119.36 133.21 2k7k n ILE 76 Ca 0.24 -5.27 -0.03 0.00 1.00 0.00 0.00 62.75 58.69 2k7k n ILE 76 Cb 0.23 -2.29 0.08 0.00 -0.71 0.00 0.00 39.64 36.94 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 5.94 0.44 -3.16 4.38 3.58 -1.25 -3.39 116.42 122.95 2k7k h ASP 77 Ca 0.26 0.03 -0.49 0.00 0.42 0.00 0.00 57.03 57.25 2k7k h ASP 77 Cb 0.69 -0.05 -0.40 0.00 1.72 0.00 0.00 39.33 41.29 2k7k h ASP 77 CO 1.35 0.29 -0.76 -0.54 -2.88 0.00 0.00 179.24 176.70 2k7k s LYS 78 N -6.11 0.38 -0.28 0.28 -0.14 -1.24 -4.99 119.74 107.63 2k7k s LYS 78 Ca -0.13 -0.28 -0.07 0.00 -1.36 0.00 0.00 55.97 54.12 2k7k s LYS 78 Cb 0.15 -1.97 -0.01 0.00 -1.68 0.00 0.00 37.83 34.33 2k7k s LYS 78 CO 0.75 -0.67 0.09 0.00 -0.76 0.00 0.00 175.35 174.76 2k7k s ALA 79 N 1.99 3.13 0.17 5.17 0.00 -1.26 -3.31 121.76 127.65 2k7k s ALA 79 Ca 0.01 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.66 2k7k s ALA 79 Cb -0.17 -2.16 -0.05 0.00 0.00 0.00 0.00 23.12 20.75 2k7k s ALA 79 CO -0.09 -0.76 -0.01 1.21 0.00 0.00 0.00 175.76 176.11 2k7k s ASN 80 N 1.56 1.26 0.45 0.00 2.47 -1.14 -5.03 114.94 114.52 2k7k s ASN 80 Ca 0.04 -1.16 0.02 0.00 0.42 0.00 0.00 52.86 52.19 2k7k s ASN 80 Cb -0.16 0.11 0.02 0.00 -1.45 0.00 0.00 41.25 39.76 2k7k s ASN 80 CO 0.03 -0.55 0.15 2.22 -3.72 0.00 0.00 177.10 175.23 2k7k n PHE 81 N -0.23 0.29 -4.03 0.43 1.16 -1.26 -2.20 117.46 111.62 2k7k n PHE 81 Ca -0.07 -2.09 -0.26 0.00 -1.87 0.00 0.00 57.45 53.16 2k7k n PHE 81 Cb 0.63 -0.33 -0.04 0.00 -1.61 0.00 0.00 39.48 38.13 2k7k n PHE 81 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 2k7k s ASN 82 N -3.56 4.55 -0.87 5.98 2.47 0.18 -4.89 114.94 118.81 2k7k s ASN 82 Ca 0.11 -1.20 -0.25 0.00 0.42 0.00 0.00 52.86 51.94 2k7k s ASN 82 Cb -0.01 0.07 -0.08 0.00 -1.45 0.00 0.00 41.25 39.78 2k7k s ASN 82 CO 0.07 -0.86 2.10 0.20 -3.72 0.00 0.00 177.10 174.89 2k7k s ASN 83 N -4.11 4.71 0.15 -4.21 -0.87 -1.26 -4.73 114.94 104.62 2k7k s ASN 83 Ca 0.34 -0.45 -0.34 0.00 -1.57 0.00 0.00 52.86 50.84 2k7k s ASN 83 Cb -0.00 -2.56 -0.15 0.00 -0.02 0.00 0.00 41.25 38.52 2k7k s ASN 83 CO 0.20 -3.14 1.42 1.21 -2.57 0.00 0.00 177.10 174.22 2k7k n GLU 84 N 8.83 1.68 -4.12 -0.60 2.13 -1.26 -4.88 120.64 122.42 2k7k n GLU 84 Ca 0.42 0.60 -0.11 0.00 0.66 0.00 0.00 57.16 58.74 2k7k n GLU 84 Cb 0.46 -2.28 -0.09 0.00 0.27 0.00 0.00 31.44 29.80 2k7k n GLU 84 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2k7k s LYS 85 N 0.42 1.25 0.23 5.31 -2.85 -0.88 -5.00 119.74 118.22 2k7k s LYS 85 Ca 0.78 -1.48 0.01 0.00 -1.00 0.00 0.00 55.97 54.29 2k7k s LYS 85 Cb -0.79 0.32 -0.04 0.00 -2.06 0.00 0.00 37.83 35.27 2k7k s LYS 85 CO 0.44 -0.44 0.41 0.14 0.10 0.00 0.00 175.35 176.00 2k7k s VAL 86 N -4.10 5.21 0.23 1.79 -7.23 -1.26 -0.20 120.40 114.85 2k7k s VAL 86 Ca 0.31 -0.54 0.04 0.00 -1.81 0.00 0.00 61.98 59.99 2k7k s VAL 86 Cb 0.05 -3.78 -0.02 0.00 0.56 0.00 0.00 36.38 33.19 2k7k s VAL 86 CO 0.09 -0.27 0.23 2.30 -0.31 0.00 0.00 175.10 177.13 2k7k n ILE 87 N -1.02 0.00 0.12 -0.62 -0.00 -1.23 -4.83 119.36 111.78 2k7k n ILE 87 Ca -0.06 -1.61 -0.24 0.00 -0.00 0.00 0.00 62.75 60.84 2k7k n ILE 87 Cb 0.55 0.83 -0.16 0.00 -0.00 0.00 0.00 39.64 40.87 2k7k n ILE 87 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2k7k h LEU 88 N 0.00 0.77 0.00 7.28 4.07 -2.00 -3.46 115.31 121.97 2k7k h LEU 88 Ca -0.17 -0.93 0.07 0.00 0.08 0.00 0.00 57.88 56.94 2k7k h LEU 88 Cb 0.84 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 2k7k h LEU 88 CO 0.24 1.72 0.45 2.29 -1.08 0.00 0.00 178.44 182.06 2k7k n LYS 89 N -3.71 0.86 -0.70 1.13 2.85 -1.26 -5.01 118.16 112.32 2k7k n LYS 89 Ca -0.19 -1.80 -0.32 0.00 -1.05 0.00 0.00 58.31 54.95 2k7k n LYS 89 Cb 1.08 2.33 0.16 0.00 -0.65 0.00 0.00 35.03 37.95 2k7k n LYS 89 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2k7k n LEU 90 N 0.00 0.03 -0.03 -5.58 4.77 -1.26 -4.96 117.00 109.97 2k7k n LEU 90 Ca -0.05 0.20 -0.15 0.00 -0.03 0.00 0.00 56.01 55.98 2k7k n LEU 90 Cb 0.58 -1.23 -0.14 0.00 -2.33 0.00 0.00 43.42 40.30 2k7k n LEU 90 CO 0.24 -3.14 -0.78 0.47 -1.33 0.00 0.00 177.39 172.84 2k7k n ASP 91 N -2.54 1.43 -4.24 -1.43 9.92 -1.26 -4.92 116.55 113.51 2k7k n ASP 91 Ca 0.06 0.24 -0.28 0.00 -0.53 0.00 0.00 54.79 54.29 2k7k n ASP 91 Cb 0.55 -0.34 -0.15 0.00 -0.64 0.00 0.00 41.12 40.53 2k7k n ASP 91 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2k7k s TYR 92 N -2.56 1.92 0.28 1.24 6.14 -1.26 -5.01 117.35 118.09 2k7k s TYR 92 Ca -0.16 -0.36 0.33 0.00 0.64 0.00 0.00 57.07 57.52 2k7k s TYR 92 Cb 0.07 -1.23 1.54 0.00 0.42 0.00 0.00 41.96 42.77 2k7k s TYR 92 CO 0.78 -0.02 2.06 0.77 0.64 0.00 0.00 175.55 179.78 2k7k h SER 93 N 5.53 0.00 -1.97 4.32 0.02 -2.01 -3.46 113.55 115.98 2k7k h SER 93 Ca -0.40 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.56 2k7k h SER 93 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2k7k h SER 93 CO 0.47 0.06 0.19 -0.90 -1.14 0.00 0.00 176.83 175.51 2k7k n ASP 94 N -3.24 -1.17 -4.76 3.07 5.75 -1.26 -5.04 116.55 109.89 2k7k n ASP 94 Ca -0.01 -1.77 -0.39 0.00 -0.01 0.00 0.00 54.79 52.61 2k7k n ASP 94 Cb 0.26 1.94 -0.06 0.00 -1.03 0.00 0.00 41.12 42.24 2k7k n ASP 94 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 2k7k s PHE 95 N -5.00 3.71 0.09 2.11 -0.12 -1.26 -4.21 117.98 113.30 2k7k s PHE 95 Ca 0.09 1.25 -0.19 0.00 -0.05 0.00 0.00 56.93 58.03 2k7k s PHE 95 Cb -0.02 -2.63 0.05 0.00 -0.63 0.00 0.00 43.02 39.78 2k7k s PHE 95 CO 0.06 0.37 0.47 -0.65 -0.05 0.00 0.00 175.22 175.41 2k7k s GLN 96 N -0.27 1.07 0.03 1.99 -1.52 -1.19 -5.01 119.66 114.75 2k7k s GLN 96 Ca 0.32 -0.47 -0.07 0.00 -1.95 0.00 0.00 55.36 53.19 2k7k s GLN 96 Cb -0.19 0.48 -0.05 0.00 -0.22 0.00 0.00 33.01 33.03 2k7k s GLN 96 CO 0.18 -0.41 0.29 0.42 -0.25 0.00 0.00 175.29 175.53 2k7k s ILE 97 N -3.17 5.26 -0.03 1.08 1.01 -1.26 -3.85 121.20 120.24 2k7k s ILE 97 Ca -0.01 0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.85 2k7k s ILE 97 Cb 0.00 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.89 2k7k s ILE 97 CO -0.07 0.32 -0.10 -0.69 0.00 0.00 0.00 174.94 174.40 2k7k s VAL 98 N -1.35 0.90 -0.97 2.92 1.01 -1.09 -4.91 120.40 116.91 2k7k s VAL 98 Ca 0.30 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.94 2k7k s VAL 98 Cb -0.13 -0.80 0.06 0.00 0.00 0.00 0.00 36.38 35.51 2k7k s VAL 98 CO 0.17 0.28 0.75 2.29 0.00 0.00 0.00 175.10 178.59