#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 3.17 0.00 4.61 0.00 -1.26 -5.10 121.76 123.19 2k7k s ALA 2 Ca 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 51.96 49.69 2k7k s ALA 2 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.23 2k7k s ALA 2 CO 0.00 -0.10 0.00 0.39 0.00 0.00 0.00 175.76 176.05 2k7k n GLU 3 N -0.97 0.00 -1.08 0.00 1.02 -1.26 -5.18 120.64 113.17 2k7k n GLU 3 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2k7k n GLU 3 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.08 2k7k n GLU 3 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k7k n GLY 4 N 2.52 1.84 2.93 0.62 0.00 -1.26 -5.16 105.19 106.67 2k7k n GLY 4 Ca 0.00 -0.98 -0.26 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.91 1.99 -0.28 1.61 0.01 -1.26 -3.95 114.94 112.15 2k7k s ASN 5 Ca 0.00 -0.28 -0.15 0.00 -0.71 0.00 0.00 52.86 51.72 2k7k s ASN 5 Cb 0.00 -0.80 0.08 0.00 0.41 0.00 0.00 41.25 40.94 2k7k s ASN 5 CO 0.00 -0.08 0.67 -0.89 -1.51 0.00 0.00 177.10 175.29 2k7k s THR 6 N 1.43 -0.08 0.15 1.60 2.01 -1.26 -4.92 115.64 114.57 2k7k s THR 6 Ca -0.01 0.01 -0.31 0.00 0.31 0.00 0.00 61.69 61.69 2k7k s THR 6 Cb -0.13 -0.98 -0.10 0.00 0.01 0.00 0.00 72.50 71.29 2k7k s THR 6 CO -0.05 0.00 1.70 -0.76 -0.69 0.00 0.00 174.62 174.82 2k7k s LEU 7 N 1.73 4.38 0.05 4.42 2.01 -1.26 -0.81 118.68 129.20 2k7k s LEU 7 Ca -0.10 2.71 0.00 0.00 0.01 0.00 0.00 54.13 56.75 2k7k s LEU 7 Cb -0.06 -3.58 -0.03 0.00 0.01 0.00 0.00 46.19 42.53 2k7k s LEU 7 CO -0.20 -0.93 -0.05 0.27 1.01 0.00 0.00 176.35 176.46 2k7k s ILE 8 N 1.85 0.36 -0.36 -0.59 -4.36 0.74 -3.31 121.20 115.53 2k7k s ILE 8 Ca 0.75 -1.46 0.02 0.00 -0.26 0.00 0.00 60.65 59.70 2k7k s ILE 8 Cb -0.45 -1.05 0.10 0.00 1.25 0.00 0.00 42.46 42.31 2k7k s ILE 8 CO 0.33 -0.72 0.10 -0.55 0.24 0.00 0.00 174.94 174.34 2k7k s SER 9 N -2.30 4.92 -0.03 4.36 0.15 0.15 -2.46 113.70 118.49 2k7k s SER 9 Ca -0.01 -2.12 0.02 0.00 0.70 0.00 0.00 55.95 54.54 2k7k s SER 9 Cb -0.01 -1.69 -0.03 0.00 -1.71 0.00 0.00 66.02 62.58 2k7k s SER 9 CO -0.04 -0.43 -0.08 0.54 1.20 0.00 0.00 173.24 174.43 2k7k s VAL 10 N 0.98 3.61 0.02 4.45 0.11 -1.13 -3.66 120.40 124.78 2k7k s VAL 10 Ca 0.10 -0.65 -0.01 0.00 -2.93 0.00 0.00 61.98 58.49 2k7k s VAL 10 Cb -0.20 -2.52 -0.04 0.00 -1.53 0.00 0.00 36.38 32.09 2k7k s VAL 10 CO -0.07 0.50 0.17 -1.81 -3.33 0.00 0.00 175.10 170.56 2k7k s ASP 11 N -1.10 6.21 0.31 3.54 1.01 -1.26 -2.61 116.67 122.77 2k7k s ASP 11 Ca 0.15 0.27 0.11 0.00 0.71 0.00 0.00 52.55 53.78 2k7k s ASP 11 Cb -0.11 -1.90 -0.06 0.00 1.01 0.00 0.00 42.92 41.87 2k7k s ASP 11 CO 0.04 0.23 -0.13 -0.31 0.21 0.00 0.00 175.17 175.21 2k7k s TYR 12 N -1.37 2.38 -0.25 4.23 2.02 -1.26 -1.43 117.35 121.68 2k7k s TYR 12 Ca 0.29 -0.39 -0.05 0.00 -0.37 0.00 0.00 57.07 56.55 2k7k s TYR 12 Cb -0.13 -1.19 0.13 0.00 -0.40 0.00 0.00 41.96 40.37 2k7k s TYR 12 CO 0.21 0.64 0.48 -2.00 -1.57 0.00 0.00 175.55 173.31 2k7k s GLU 13 N -3.58 0.41 0.02 -0.62 2.12 -1.14 -3.96 118.70 111.96 2k7k s GLU 13 Ca 0.31 0.96 0.06 0.00 0.36 0.00 0.00 54.97 56.66 2k7k s GLU 13 Cb -0.02 0.23 -0.03 0.00 0.26 0.00 0.00 34.13 34.57 2k7k s GLU 13 CO 0.16 -0.42 -0.16 0.42 -0.54 0.00 0.00 175.26 174.73 2k7k s ILE 14 N 2.68 2.96 -0.00 -3.70 -1.09 -1.22 -2.32 121.20 118.51 2k7k s ILE 14 Ca 0.06 -1.06 0.04 0.00 -2.23 0.00 0.00 60.65 57.45 2k7k s ILE 14 Cb -0.13 -2.24 -0.01 0.00 -1.58 0.00 0.00 42.46 38.49 2k7k s ILE 14 CO -0.16 0.38 -0.12 0.12 -1.23 0.00 0.00 174.94 173.92 2k7k s PHE 15 N -0.91 1.10 0.00 3.97 2.19 -1.19 -3.98 117.98 119.15 2k7k s PHE 15 Ca 0.15 -0.22 0.00 0.00 0.33 0.00 0.00 56.93 57.19 2k7k s PHE 15 Cb -0.11 -0.70 0.00 0.00 -1.31 0.00 0.00 43.02 40.90 2k7k s PHE 15 CO 0.05 -0.01 0.00 0.41 1.83 0.00 0.00 175.22 177.50 2k7k n GLY 16 N 2.69 0.43 2.40 13.12 0.00 -1.26 -0.53 105.19 122.03 2k7k n GLY 16 Ca -0.14 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.85 1.61 3.00 -1.26 -4.42 118.16 118.56 2k7k n LYS 17 Ca 0.00 -2.30 -0.05 0.00 -0.00 0.00 0.00 58.31 55.96 2k7k n LYS 17 Cb 0.00 -2.06 0.24 0.00 0.00 0.00 0.00 35.03 33.21 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 0.63 2.71 -4.37 3.15 0.24 -1.26 -3.87 118.33 115.56 2k7k n VAL 18 Ca 0.46 -2.10 -0.23 0.00 -2.04 0.00 0.00 64.34 60.43 2k7k n VAL 18 Cb 0.54 -0.34 -0.13 0.00 -1.47 0.00 0.00 33.84 32.44 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 -3.09 1.13 -1.31 7.34 -2.07 -1.26 -4.72 119.66 115.68 2k7k s GLN 19 Ca 0.49 -1.03 -0.06 0.00 -1.82 0.00 0.00 55.36 52.93 2k7k s GLN 19 Cb 0.41 -1.29 0.04 0.00 -1.09 0.00 0.00 33.01 31.08 2k7k s GLN 19 CO 0.08 0.31 0.42 0.41 -1.32 0.00 0.00 175.29 175.19 2k7k n GLY 20 N 1.39 -0.50 3.17 2.60 0.00 -1.26 -4.96 105.19 105.64 2k7k n GLY 20 Ca -0.19 0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 2k7k n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k7k s VAL 21 N -2.93 1.25 -1.27 1.61 0.11 -1.26 -5.07 120.40 112.84 2k7k s VAL 21 Ca 0.30 -1.01 -0.13 0.00 -2.93 0.00 0.00 61.98 58.21 2k7k s VAL 21 Cb -0.15 -1.11 0.14 0.00 -1.53 0.00 0.00 36.38 33.73 2k7k s VAL 21 CO 0.37 0.08 1.70 0.49 -3.33 0.00 0.00 175.10 174.41 2k7k n PHE 22 N 1.96 4.11 -0.01 1.54 3.72 -1.26 -4.46 117.46 123.06 2k7k n PHE 22 Ca -0.17 -3.06 -0.00 0.00 -0.05 0.00 0.00 57.45 54.16 2k7k n PHE 22 Cb 0.54 -2.21 -0.03 0.00 -0.94 0.00 0.00 39.48 36.84 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 5.47 0.00 -0.33 1.38 -1.74 -1.26 -4.64 117.46 116.34 2k7k n PHE 23 Ca 0.41 0.00 0.13 0.00 -0.56 0.00 0.00 57.45 57.43 2k7k n PHE 23 Cb 0.41 -0.16 0.35 0.00 1.52 0.00 0.00 39.48 41.59 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 0.71 -0.76 3.97 0.11 -2.01 -0.13 114.38 116.27 2k7k h ARG 24 Ca -0.06 -0.04 0.11 0.00 0.10 0.00 0.00 59.98 60.08 2k7k h ARG 24 Cb 0.78 -0.16 -0.08 0.00 1.11 0.00 0.00 29.97 31.62 2k7k h ARG 24 CO 0.00 0.47 0.38 -0.22 0.10 0.00 0.00 179.97 180.70 2k7k h LYS 25 N 0.73 0.60 0.00 0.08 3.11 -1.95 0.12 116.57 119.26 2k7k h LYS 25 Ca 0.55 -0.04 -0.05 0.00 -2.81 0.00 0.00 60.65 58.30 2k7k h LYS 25 Cb 0.89 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.98 2k7k h LYS 25 CO -0.32 0.39 -0.22 1.25 -2.81 0.00 0.00 179.45 177.74 2k7k h HIS 26 N 0.61 0.00 -0.16 1.91 2.76 -1.32 -2.20 115.15 116.75 2k7k h HIS 26 Ca 0.39 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.37 2k7k h HIS 26 Cb 0.45 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.41 2k7k h HIS 26 CO -0.11 0.22 -0.66 1.15 -1.30 0.00 0.00 177.93 177.23 2k7k h THR 27 N 0.00 1.32 -0.07 6.26 2.02 -0.57 0.12 112.91 122.00 2k7k h THR 27 Ca -0.00 -1.93 -0.16 0.00 0.77 0.00 0.00 66.41 65.09 2k7k h THR 27 Cb 0.46 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 2k7k h THR 27 CO 0.03 0.60 -0.67 -0.61 0.37 0.00 0.00 175.52 175.24 2k7k h GLN 28 N 0.46 0.29 0.00 6.66 -0.00 -0.97 -2.85 115.11 118.70 2k7k h GLN 28 Ca -0.02 -0.22 -0.00 0.00 -0.00 0.00 0.00 58.65 58.41 2k7k h GLN 28 Cb 1.25 0.04 0.00 0.00 0.00 0.00 0.00 27.48 28.77 2k7k h GLN 28 CO 0.13 0.86 -0.00 0.00 0.00 0.00 0.00 178.83 179.82 2k7k h ALA 29 N 1.08 -0.00 -0.51 3.38 0.00 -1.38 -3.30 119.26 118.52 2k7k h ALA 29 Ca -0.02 -0.48 0.15 0.00 0.00 0.00 0.00 54.91 54.56 2k7k h ALA 29 Cb 1.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2k7k h ALA 29 CO 0.11 -0.00 0.41 1.05 0.00 0.00 0.00 179.25 180.82 2k7k h GLU 30 N -1.00 0.00 -0.05 0.00 4.11 -0.84 0.78 114.58 117.58 2k7k h GLU 30 Ca -0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.44 2k7k h GLU 30 Cb 0.96 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 2k7k h GLU 30 CO 0.00 0.00 0.14 0.78 0.07 0.00 0.00 179.01 180.00 2k7k h GLY 31 N 0.00 0.00 1.62 1.06 0.00 -1.58 -0.49 103.07 103.69 2k7k h GLY 31 Ca 0.24 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.32 2k7k h GLY 31 CO -0.00 0.00 -1.11 1.70 0.00 0.00 0.00 176.54 177.13 2k7k h LYS 32 N 0.00 0.30 -0.26 4.80 3.64 -1.02 0.24 116.57 124.27 2k7k h LYS 32 Ca 0.02 -0.43 0.08 0.00 -1.27 0.00 0.00 60.65 59.05 2k7k h LYS 32 Cb 0.29 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2k7k h LYS 32 CO -0.00 1.15 0.27 0.87 -2.27 0.00 0.00 179.45 179.48 2k7k h LYS 33 N 0.13 0.00 0.00 1.90 1.57 -1.19 -3.24 116.57 115.73 2k7k h LYS 33 Ca -0.11 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 2k7k h LYS 33 Cb 1.80 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.09 2k7k h LYS 33 CO 0.18 0.00 -1.02 1.28 -0.57 0.00 0.00 179.45 179.33 2k7k n LEU 34 N -3.83 1.24 0.00 2.94 7.99 -1.21 -5.10 117.00 119.03 2k7k n LEU 34 Ca 0.04 0.20 0.00 0.00 -0.01 0.00 0.00 56.01 56.23 2k7k n LEU 34 Cb 0.42 -0.46 0.00 0.00 -0.11 0.00 0.00 43.42 43.26 2k7k n LEU 34 CO 0.28 -0.18 0.00 0.61 -1.51 0.00 0.00 177.39 176.59 2k7k n GLY 35 N 2.39 0.69 2.37 -0.72 0.00 0.83 -5.08 105.19 105.68 2k7k n GLY 35 Ca -0.15 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 2k7k n GLY 35 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2k7k n LEU 36 N 0.00 0.00 0.00 0.99 -0.00 -1.08 -4.87 117.00 112.04 2k7k n LEU 36 Ca 0.00 -2.07 -0.12 0.00 -0.00 0.00 0.00 56.01 53.82 2k7k n LEU 36 Cb 0.00 1.69 -0.03 0.00 -0.00 0.00 0.00 43.42 45.08 2k7k n LEU 36 CO 0.00 -0.45 -0.08 1.33 -0.00 0.00 0.00 177.39 178.19 2k7k n VAL 37 N -0.42 0.00 -0.41 1.47 0.24 -1.06 -4.80 118.33 113.35 2k7k n VAL 37 Ca 0.01 -0.98 0.00 0.00 -2.04 0.00 0.00 64.34 61.34 2k7k n VAL 37 Cb 0.42 0.27 0.00 0.00 -1.47 0.00 0.00 33.84 33.06 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 1.80 0.21 3.32 7.63 0.00 -1.22 -3.12 105.19 113.81 2k7k n GLY 38 Ca -0.06 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.67 -0.58 -0.18 1.61 -2.14 -1.24 -2.67 118.94 112.07 2k7k s TRP 39 Ca 0.00 1.29 -0.11 0.00 2.66 0.00 0.00 56.10 59.94 2k7k s TRP 39 Cb 0.00 0.24 -0.05 0.00 -3.10 0.00 0.00 33.47 30.56 2k7k s TRP 39 CO 0.00 -0.30 0.19 0.08 -2.66 0.00 0.00 176.95 174.26 2k7k s VAL 40 N 0.89 5.37 -0.13 -0.66 1.01 -1.25 -3.72 120.40 121.91 2k7k s VAL 40 Ca -0.05 0.32 -0.16 0.00 0.00 0.00 0.00 61.98 62.08 2k7k s VAL 40 Cb -0.06 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 32.84 2k7k s VAL 40 CO -0.07 0.43 0.44 -1.58 0.00 0.00 0.00 175.10 174.31 2k7k s GLN 41 N 0.33 0.59 -0.46 2.72 0.74 -1.26 -1.32 119.66 120.99 2k7k s GLN 41 Ca 0.11 0.44 -0.19 0.00 0.05 0.00 0.00 55.36 55.78 2k7k s GLN 41 Cb -0.12 0.28 0.04 0.00 1.10 0.00 0.00 33.01 34.31 2k7k s GLN 41 CO 0.00 -0.10 0.56 1.21 -0.55 0.00 0.00 175.29 176.41 2k7k s ASN 42 N -0.16 6.23 1.02 6.67 2.47 -1.26 -3.09 114.94 126.82 2k7k s ASN 42 Ca -0.03 -0.74 -0.15 0.00 0.42 0.00 0.00 52.86 52.35 2k7k s ASN 42 Cb -0.03 -2.27 0.06 0.00 -1.45 0.00 0.00 41.25 37.56 2k7k s ASN 42 CO 0.02 -0.76 0.21 0.35 -3.72 0.00 0.00 177.10 173.20 2k7k n THR 43 N 5.59 0.00 -0.76 -5.21 -2.24 -0.41 -4.88 114.28 106.37 2k7k n THR 43 Ca -0.06 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.34 2k7k n THR 43 Cb 0.46 -0.60 0.18 0.00 -2.10 0.00 0.00 70.33 68.28 2k7k n THR 43 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2k7k n ASP 44 N -1.33 3.86 -0.03 3.42 8.00 -1.26 -4.05 116.55 125.16 2k7k n ASP 44 Ca 0.04 -3.20 -0.03 0.00 0.71 0.00 0.00 54.79 52.31 2k7k n ASP 44 Cb 0.57 -0.75 -0.05 0.00 -0.02 0.00 0.00 41.12 40.87 2k7k n ASP 44 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2k7k n ARG 45 N -0.57 2.55 0.00 -1.24 3.00 -1.26 -5.03 116.66 114.11 2k7k n ARG 45 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.29 2k7k n ARG 45 Cb 1.37 -1.15 0.00 0.00 0.00 0.00 0.00 32.46 32.68 2k7k n ARG 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k7k n GLY 46 N 2.71 0.63 3.83 5.14 0.00 -1.26 -5.16 105.19 111.09 2k7k n GLY 46 Ca -0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 -0.14 2.61 -4.23 -1.26 -4.94 115.64 106.76 2k7k s THR 47 Ca 0.00 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 2k7k s THR 47 Cb 0.00 -2.43 0.02 0.00 1.34 0.00 0.00 72.50 71.43 2k7k s THR 47 CO 0.00 0.00 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.27 2k7k s VAL 48 N -3.08 1.40 -0.22 2.29 1.01 -1.26 -1.29 120.40 119.26 2k7k s VAL 48 Ca 0.14 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 2k7k s VAL 48 Cb -0.05 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.99 2k7k s VAL 48 CO 0.09 0.43 -0.07 0.00 0.00 0.00 0.00 175.10 175.54 2k7k s GLN 49 N 1.56 3.22 -0.56 2.72 -2.07 -1.18 -3.41 119.66 119.95 2k7k s GLN 49 Ca 0.05 -0.72 -0.08 0.00 -1.82 0.00 0.00 55.36 52.79 2k7k s GLN 49 Cb -0.13 -2.93 0.14 0.00 -1.09 0.00 0.00 33.01 29.01 2k7k s GLN 49 CO -0.10 -0.23 0.42 0.20 -1.32 0.00 0.00 175.29 174.26 2k7k s GLY 50 N 1.42 2.24 -0.53 2.60 0.00 -1.25 -4.07 107.32 107.73 2k7k s GLY 50 Ca 0.05 -2.83 -0.26 0.00 0.00 0.00 0.00 44.72 41.68 2k7k s GLY 50 CO -0.05 1.12 2.31 1.62 0.00 0.00 0.00 173.10 178.10 2k7k s GLN 51 N 0.82 2.16 0.12 2.90 -0.44 -1.24 -4.02 119.66 119.95 2k7k s GLN 51 Ca 0.10 1.21 -0.19 0.00 -2.50 0.00 0.00 55.36 53.98 2k7k s GLN 51 Cb -0.22 -4.57 -0.07 0.00 -1.64 0.00 0.00 33.01 26.51 2k7k s GLN 51 CO -0.03 -3.25 0.62 -1.17 0.50 0.00 0.00 175.29 171.96 2k7k s LEU 52 N 11.79 4.49 -0.03 3.68 2.96 -1.07 -3.73 118.68 136.77 2k7k s LEU 52 Ca 0.92 1.31 0.00 0.00 -0.22 0.00 0.00 54.13 56.14 2k7k s LEU 52 Cb -0.16 -3.09 0.03 0.00 0.50 0.00 0.00 46.19 43.47 2k7k s LEU 52 CO 0.24 0.21 -0.00 -1.58 -1.32 0.00 0.00 176.35 173.90 2k7k s GLN 53 N -1.34 0.38 0.00 1.98 0.74 -1.18 -2.83 119.66 117.41 2k7k s GLN 53 Ca 0.33 0.07 0.00 0.00 0.05 0.00 0.00 55.36 55.81 2k7k s GLN 53 Cb -0.19 -0.57 0.00 0.00 1.10 0.00 0.00 33.01 33.35 2k7k s GLN 53 CO 0.20 -0.15 0.00 0.41 -0.55 0.00 0.00 175.29 175.20 2k7k n GLY 54 N 4.25 -1.64 3.77 2.59 0.00 -1.03 -2.57 105.19 110.56 2k7k n GLY 54 Ca -0.24 -1.09 -0.37 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.46 3.70 0.52 1.61 0.04 -1.26 -0.19 135.00 137.96 2k7k s PRO 55 Ca 0.00 1.75 0.24 0.00 0.04 0.00 0.00 61.00 63.02 2k7k s PRO 55 Cb 0.00 -2.35 1.35 0.00 0.04 0.00 0.00 34.50 33.55 2k7k s PRO 55 CO 0.00 -0.60 2.00 0.97 0.04 0.00 0.00 177.00 179.42 2k7k h ILE 56 N 1.77 0.77 0.00 0.56 2.10 -1.25 0.28 117.51 121.73 2k7k h ILE 56 Ca -0.49 -0.01 -0.01 0.00 1.08 0.00 0.00 64.86 65.42 2k7k h ILE 56 Cb 1.25 0.72 -0.00 0.00 -1.09 0.00 0.00 36.82 37.70 2k7k h ILE 56 CO 0.60 0.01 -0.06 0.28 -1.08 0.00 0.00 178.15 177.89 2k7k h SER 57 N 0.04 0.00 0.00 2.19 0.02 -1.86 0.40 113.55 114.34 2k7k h SER 57 Ca 0.24 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.00 2k7k h SER 57 Cb 0.90 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.41 2k7k h SER 57 CO -0.01 0.06 -2.17 0.29 -1.14 0.00 0.00 176.83 173.85 2k7k n LYS 58 N -3.38 0.70 0.14 3.45 4.01 0.84 -4.21 118.16 119.72 2k7k n LYS 58 Ca -0.02 -0.10 0.04 0.00 -0.51 0.00 0.00 58.31 57.73 2k7k n LYS 58 Cb 0.21 -1.51 0.04 0.00 -0.51 0.00 0.00 35.03 33.26 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 0.66 0.00 -0.18 2.07 -0.74 -0.98 116.25 117.08 2k7k h VAL 59 Ca -0.28 -1.95 -0.10 0.00 0.82 0.00 0.00 66.70 65.20 2k7k h VAL 59 Cb 1.62 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 33.66 2k7k h VAL 59 CO 0.02 0.37 -0.46 0.03 0.02 0.00 0.00 177.57 177.54 2k7k h ARG 60 N 0.00 0.00 0.01 1.57 2.47 -1.12 -2.85 114.38 114.46 2k7k h ARG 60 Ca -0.02 0.00 -0.40 0.00 -1.26 0.00 0.00 59.98 58.31 2k7k h ARG 60 Cb 1.32 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.58 2k7k h ARG 60 CO 0.05 0.46 -2.21 0.72 0.56 0.00 0.00 179.97 179.56 2k7k n HIS 61 N -3.37 0.32 0.12 3.04 8.25 -1.22 -4.20 115.22 118.17 2k7k n HIS 61 Ca 0.01 0.12 0.16 0.00 -0.26 0.00 0.00 57.72 57.75 2k7k n HIS 61 Cb 0.64 -1.03 0.71 0.00 1.12 0.00 0.00 29.99 31.42 2k7k n HIS 61 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 2k7k h MET 62 N -0.79 0.00 0.00 -0.41 1.85 -1.30 0.92 114.93 115.19 2k7k h MET 62 Ca -0.59 0.00 -0.09 0.00 -0.61 0.00 0.00 59.70 58.41 2k7k h MET 62 Cb 1.61 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.63 2k7k h MET 62 CO -0.30 0.00 -0.44 -0.56 -0.40 0.00 0.00 176.91 175.21 2k7k h GLN 63 N 0.00 0.00 -0.89 0.39 3.07 -1.69 -2.70 115.11 113.29 2k7k h GLN 63 Ca 0.14 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.60 2k7k h GLN 63 Cb 0.59 0.00 -0.17 0.00 0.08 0.00 0.00 27.48 27.99 2k7k h GLN 63 CO -0.00 0.44 0.35 0.39 0.09 0.00 0.00 178.83 180.10 2k7k n GLU 64 N -3.86 2.70 0.00 0.06 -0.58 0.31 -3.84 120.64 115.42 2k7k n GLU 64 Ca -0.01 -2.43 0.00 0.00 -0.42 0.00 0.00 57.16 54.29 2k7k n GLU 64 Cb 0.48 -2.00 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 2k7k n GLU 64 CO 0.00 0.00 0.00 1.87 -0.48 0.00 0.00 177.13 178.52 2k7k n TRP 65 N -0.38 0.00 1.32 -0.32 -0.00 -1.03 -4.54 117.44 112.49 2k7k n TRP 65 Ca 0.39 0.00 0.14 0.00 -0.00 0.00 0.00 57.50 58.03 2k7k n TRP 65 Cb 1.30 0.00 0.51 0.00 -0.00 0.00 0.00 31.31 33.11 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 -2.01 0.70 -0.05 5.87 4.77 -1.15 -0.10 117.00 125.02 2k7k n LEU 66 Ca 0.00 -0.10 -0.01 0.00 -0.03 0.00 0.00 56.01 55.88 2k7k n LEU 66 Cb 0.33 -0.16 -0.15 0.00 -2.33 0.00 0.00 43.42 41.11 2k7k n LEU 66 CO 0.00 0.13 -0.92 -1.84 -1.33 0.00 0.00 177.39 173.43 2k7k n GLU 67 N -0.84 0.86 -0.01 3.23 -0.00 -1.25 -4.73 120.64 117.89 2k7k n GLU 67 Ca 0.13 -0.08 -0.01 0.00 -0.00 0.00 0.00 57.16 57.19 2k7k n GLU 67 Cb 0.31 -1.46 -0.01 0.00 -0.00 0.00 0.00 31.44 30.28 2k7k n GLU 67 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2k7k n THR 68 N -2.44 0.10 -2.97 3.84 5.66 -1.24 -4.97 114.28 112.26 2k7k n THR 68 Ca -0.18 -0.04 -0.24 0.00 -3.05 0.00 0.00 64.05 60.55 2k7k n THR 68 Cb 0.82 -0.83 0.01 0.00 -1.55 0.00 0.00 70.33 68.78 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 -2.04 3.13 0.00 1.09 3.52 0.86 -5.05 118.95 120.46 2k7k s ARG 69 Ca -0.02 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 2k7k s ARG 69 Cb 0.01 -2.54 0.00 0.00 -1.56 0.00 0.00 34.95 30.86 2k7k s ARG 69 CO 0.04 -0.25 0.00 0.41 -0.81 0.00 0.00 175.30 174.69 2k7k n GLY 70 N -2.09 4.18 3.71 8.12 0.00 -1.26 -4.19 105.19 113.66 2k7k n GLY 70 Ca 0.01 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 2k7k n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k7k s SER 71 N 0.00 3.51 0.05 1.61 0.01 -1.26 -4.90 113.70 112.73 2k7k s SER 71 Ca 0.00 1.98 0.16 0.00 1.31 0.00 0.00 55.95 59.40 2k7k s SER 71 Cb 0.00 -2.52 0.68 0.00 0.21 0.00 0.00 66.02 64.40 2k7k s SER 71 CO 0.00 -2.69 1.51 -0.81 0.41 0.00 0.00 173.24 171.66 2k7k n PRO 72 N -3.95 0.04 0.00 12.44 -0.04 -1.26 -1.92 135.00 140.31 2k7k n PRO 72 Ca 0.10 0.29 0.12 0.00 -0.04 0.00 0.00 63.50 63.98 2k7k n PRO 72 Cb 0.53 -1.58 0.27 0.00 -0.04 0.00 0.00 33.50 32.67 2k7k n PRO 72 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k7k n LYS 73 N -1.65 0.95 -3.48 0.54 4.01 -1.26 -4.47 118.16 112.79 2k7k n LYS 73 Ca 0.03 -0.65 -0.28 0.00 -0.51 0.00 0.00 58.31 56.90 2k7k n LYS 73 Cb 0.18 -1.49 -0.08 0.00 -0.51 0.00 0.00 35.03 33.13 2k7k n LYS 73 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 2k7k n SER 74 N -0.46 3.79 -4.71 4.39 7.64 -0.81 -4.55 113.62 118.92 2k7k n SER 74 Ca 0.11 -3.41 -0.33 0.00 1.01 0.00 0.00 58.87 56.26 2k7k n SER 74 Cb 0.38 -0.72 0.12 0.00 -1.01 0.00 0.00 64.21 62.98 2k7k n SER 74 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2k7k s HIS 75 N -2.32 1.93 -0.61 1.43 2.46 -1.25 -4.72 115.29 112.21 2k7k s HIS 75 Ca 0.37 1.67 0.06 0.00 0.47 0.00 0.00 55.06 57.62 2k7k s HIS 75 Cb 0.11 -3.40 0.21 0.00 -0.13 0.00 0.00 32.58 29.37 2k7k s HIS 75 CO -0.03 -2.64 0.58 -0.89 -2.47 0.00 0.00 174.74 169.29 2k7k n ILE 76 N -3.31 1.28 0.20 0.89 5.41 -1.26 -4.20 119.36 118.37 2k7k n ILE 76 Ca 0.13 -4.72 0.06 0.00 1.00 0.00 0.00 62.75 59.21 2k7k n ILE 76 Cb 0.51 -2.06 0.54 0.00 -0.71 0.00 0.00 39.64 37.92 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 4.77 0.07 -0.89 4.38 1.82 -1.20 -3.41 116.42 121.96 2k7k h ASP 77 Ca 0.17 -0.01 0.14 0.00 -0.39 0.00 0.00 57.03 56.94 2k7k h ASP 77 Cb 0.75 -0.02 -0.21 0.00 0.68 0.00 0.00 39.33 40.53 2k7k h ASP 77 CO 0.69 0.14 -0.12 -0.75 -1.61 0.00 0.00 179.24 177.59 2k7k s LYS 78 N -4.93 0.45 -0.25 0.28 2.47 -1.23 -4.98 119.74 111.54 2k7k s LYS 78 Ca -0.05 0.84 -0.09 0.00 -1.56 0.00 0.00 55.97 55.10 2k7k s LYS 78 Cb 0.16 0.47 -0.04 0.00 -1.46 0.00 0.00 37.83 36.96 2k7k s LYS 78 CO 0.69 -0.44 0.13 0.00 0.16 0.00 0.00 175.35 175.89 2k7k s ALA 79 N 2.87 3.43 0.33 3.13 0.00 -1.26 -3.20 121.76 127.05 2k7k s ALA 79 Ca 0.11 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.11 2k7k s ALA 79 Cb -0.13 -2.26 -0.06 0.00 0.00 0.00 0.00 23.12 20.66 2k7k s ALA 79 CO -0.18 -0.36 0.03 1.21 0.00 0.00 0.00 175.76 176.46 2k7k s ASN 80 N 1.39 2.63 0.13 0.00 2.47 -0.98 -5.03 114.94 115.55 2k7k s ASN 80 Ca 0.06 -1.35 -0.09 0.00 0.42 0.00 0.00 52.86 51.91 2k7k s ASN 80 Cb -0.15 -0.14 -0.00 0.00 -1.45 0.00 0.00 41.25 39.51 2k7k s ASN 80 CO 0.06 -0.54 0.25 0.72 -3.72 0.00 0.00 177.10 173.87 2k7k s PHE 81 N -3.18 0.26 1.00 0.43 -0.12 -1.26 -2.91 117.98 112.21 2k7k s PHE 81 Ca 0.35 -0.65 -0.17 0.00 -0.05 0.00 0.00 56.93 56.41 2k7k s PHE 81 Cb 0.08 -0.04 0.23 0.00 -0.63 0.00 0.00 43.02 42.66 2k7k s PHE 81 CO 0.15 -0.65 1.36 -1.71 -0.05 0.00 0.00 175.22 174.32 2k7k n ASN 82 N -0.15 0.09 0.02 1.98 2.85 -0.51 -4.93 115.26 114.60 2k7k n ASN 82 Ca -0.11 -1.49 0.09 0.00 -0.11 0.00 0.00 54.58 52.96 2k7k n ASN 82 Cb 0.63 -1.04 0.38 0.00 1.24 0.00 0.00 39.78 40.99 2k7k n ASN 82 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2k7k n ASN 83 N -3.88 0.11 -1.83 1.20 2.85 -1.26 -4.87 115.26 107.58 2k7k n ASN 83 Ca 0.17 0.52 0.00 0.00 -0.11 0.00 0.00 54.58 55.16 2k7k n ASN 83 Cb 0.59 -0.55 0.00 0.00 1.24 0.00 0.00 39.78 41.06 2k7k n ASN 83 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2k7k n GLU 84 N -1.62 -4.32 -4.12 1.20 2.13 -1.26 -5.07 120.64 107.58 2k7k n GLU 84 Ca 0.04 3.19 -0.13 0.00 0.66 0.00 0.00 57.16 60.92 2k7k n GLU 84 Cb 0.21 -3.49 -0.11 0.00 0.27 0.00 0.00 31.44 28.32 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 -1.08 0.69 0.41 5.31 -2.85 -1.24 -5.01 119.74 115.97 2k7k s LYS 85 Ca 0.00 -1.01 -0.11 0.00 -1.00 0.00 0.00 55.97 53.85 2k7k s LYS 85 Cb 0.00 -0.33 -0.07 0.00 -2.06 0.00 0.00 37.83 35.38 2k7k s LYS 85 CO 0.00 0.04 0.78 0.14 0.10 0.00 0.00 175.35 176.41 2k7k s VAL 86 N -2.24 4.77 0.22 1.79 -7.23 -1.26 -0.68 120.40 115.78 2k7k s VAL 86 Ca -0.00 0.66 -0.07 0.00 -1.81 0.00 0.00 61.98 60.76 2k7k s VAL 86 Cb -0.04 -3.73 -0.02 0.00 0.56 0.00 0.00 36.38 33.15 2k7k s VAL 86 CO -0.01 -0.52 0.30 0.27 -0.31 0.00 0.00 175.10 174.83 2k7k s ILE 87 N -2.37 0.00 0.01 -0.62 -5.25 -1.21 -4.85 121.20 106.91 2k7k s ILE 87 Ca 0.52 -1.70 -0.04 0.00 -0.99 0.00 0.00 60.65 58.43 2k7k s ILE 87 Cb -0.10 -2.35 -0.02 0.00 2.95 0.00 0.00 42.46 42.94 2k7k s ILE 87 CO 0.31 0.00 1.06 -0.07 -1.79 0.00 0.00 174.94 174.45 2k7k h LEU 88 N 2.44 -0.16 -8.05 0.37 3.38 -1.99 -3.46 115.31 107.84 2k7k h LEU 88 Ca -0.31 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 2k7k h LEU 88 Cb 1.25 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 2k7k h LEU 88 CO 0.44 -0.07 0.22 -1.59 0.09 0.00 0.00 178.44 177.53 2k7k s LYS 89 N -3.31 2.12 -0.54 1.13 -2.85 -1.26 -4.95 119.74 110.07 2k7k s LYS 89 Ca -0.02 -1.39 -0.30 0.00 -1.00 0.00 0.00 55.97 53.26 2k7k s LYS 89 Cb 0.01 0.60 -0.12 0.00 -2.06 0.00 0.00 37.83 36.26 2k7k s LYS 89 CO 0.07 -0.98 2.40 1.28 0.10 0.00 0.00 175.35 178.22 2k7k n LEU 90 N -0.52 1.86 0.20 2.77 4.77 -1.26 -4.76 117.00 120.06 2k7k n LEU 90 Ca -0.07 -0.02 0.17 0.00 -0.03 0.00 0.00 56.01 56.07 2k7k n LEU 90 Cb 0.60 -1.33 0.83 0.00 -2.33 0.00 0.00 43.42 41.18 2k7k n LEU 90 CO 0.25 -1.06 1.15 -0.78 -1.33 0.00 0.00 177.39 175.62 2k7k h ASP 91 N 15.34 0.00 0.00 -1.43 3.58 -1.99 -2.74 116.42 129.18 2k7k h ASP 91 Ca -0.22 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 56.90 2k7k h ASP 91 Cb 1.29 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.29 2k7k h ASP 91 CO 1.15 0.00 -2.22 -1.22 -2.88 0.00 0.00 179.24 174.07 2k7k n TYR 92 N -3.76 0.00 -2.16 0.28 4.02 -1.26 -4.99 117.16 109.29 2k7k n TYR 92 Ca 0.02 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.75 2k7k n TYR 92 Cb 0.35 -0.82 -0.02 0.00 -0.02 0.00 0.00 39.34 38.82 2k7k n TYR 92 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2k7k n SER 93 N -3.24 -4.70 -3.57 7.72 7.64 -1.04 -4.90 113.62 111.53 2k7k n SER 93 Ca -0.39 0.18 -0.08 0.00 1.01 0.00 0.00 58.87 59.60 2k7k n SER 93 Cb 0.89 -4.03 -0.04 0.00 -1.01 0.00 0.00 64.21 60.03 2k7k n SER 93 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2k7k s ASP 94 N -2.13 -0.27 -0.16 6.43 -4.77 -1.26 -5.06 116.67 109.45 2k7k s ASP 94 Ca 0.00 0.19 -0.08 0.00 -3.30 0.00 0.00 52.55 49.36 2k7k s ASP 94 Cb 0.00 0.25 -0.04 0.00 -1.09 0.00 0.00 42.92 42.04 2k7k s ASP 94 CO 0.00 -0.33 0.10 0.72 0.70 0.00 0.00 175.17 176.36 2k7k s PHE 95 N -1.79 3.41 -0.22 2.11 -0.12 -1.26 -3.45 117.98 116.66 2k7k s PHE 95 Ca 0.03 0.32 -0.08 0.00 -0.05 0.00 0.00 56.93 57.15 2k7k s PHE 95 Cb -0.01 -2.03 0.09 0.00 -0.63 0.00 0.00 43.02 40.45 2k7k s PHE 95 CO -0.03 0.43 0.47 -0.65 -0.05 0.00 0.00 175.22 175.38 2k7k s GLN 96 N -0.23 0.39 -0.32 1.99 -1.52 -1.09 -4.99 119.66 113.89 2k7k s GLN 96 Ca 0.10 1.09 -0.27 0.00 -1.95 0.00 0.00 55.36 54.32 2k7k s GLN 96 Cb -0.12 0.37 0.01 0.00 -0.22 0.00 0.00 33.01 33.06 2k7k s GLN 96 CO 0.01 -0.22 0.99 0.42 -0.25 0.00 0.00 175.29 176.24 2k7k s ILE 97 N 2.45 4.59 0.30 1.08 -1.09 -1.26 -3.83 121.20 123.43 2k7k s ILE 97 Ca -0.04 1.57 -0.13 0.00 -2.23 0.00 0.00 60.65 59.82 2k7k s ILE 97 Cb -0.11 -4.34 -0.08 0.00 -1.58 0.00 0.00 42.46 36.34 2k7k s ILE 97 CO -0.14 -0.42 0.68 -0.69 -1.23 0.00 0.00 174.94 173.14 2k7k s VAL 98 N 3.45 4.75 -1.19 2.92 1.01 -0.44 -4.93 120.40 125.97 2k7k s VAL 98 Ca 0.42 0.81 0.00 0.00 0.00 0.00 0.00 61.98 63.21 2k7k s VAL 98 Cb -0.13 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2k7k s VAL 98 CO 0.15 -0.15 0.30 0.29 0.00 0.00 0.00 175.10 175.68