#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 -2.04 0.33 4.61 0.00 -1.26 -5.18 121.76 118.21 2k7k s ALA 2 Ca 0.00 1.62 0.01 0.00 0.00 0.00 0.00 51.96 53.59 2k7k s ALA 2 Cb 0.00 -0.46 0.03 0.00 0.00 0.00 0.00 23.12 22.69 2k7k s ALA 2 CO 0.00 -0.48 0.24 0.39 0.00 0.00 0.00 175.76 175.90 2k7k n GLU 3 N 0.16 0.64 0.00 0.00 -0.58 -1.26 -4.86 120.64 114.73 2k7k n GLU 3 Ca -0.02 -0.75 0.00 0.00 -0.42 0.00 0.00 57.16 55.97 2k7k n GLU 3 Cb 0.58 -0.12 0.00 0.00 -0.57 0.00 0.00 31.44 31.33 2k7k n GLU 3 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k7k n GLY 4 N 3.09 1.65 3.12 0.62 0.00 -1.26 -5.10 105.19 107.31 2k7k n GLY 4 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.08 -0.29 -1.19 1.61 0.01 -1.26 -5.07 114.94 107.66 2k7k s ASN 5 Ca 0.00 0.57 -0.21 0.00 -0.71 0.00 0.00 52.86 52.50 2k7k s ASN 5 Cb 0.00 0.50 -0.05 0.00 0.41 0.00 0.00 41.25 42.11 2k7k s ASN 5 CO 0.00 -0.14 1.89 0.41 -1.51 0.00 0.00 177.10 177.76 2k7k n THR 6 N 3.64 2.45 -1.74 1.60 -1.04 -1.26 -4.92 114.28 113.01 2k7k n THR 6 Ca -0.19 -2.50 -0.42 0.00 -2.04 0.00 0.00 64.05 58.89 2k7k n THR 6 Cb 0.56 -2.24 -0.03 0.00 -1.82 0.00 0.00 70.33 66.80 2k7k n THR 6 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2k7k s LEU 7 N 8.34 4.25 0.26 -4.42 2.01 -1.26 -2.64 118.68 125.22 2k7k s LEU 7 Ca 0.63 2.44 0.09 0.00 0.01 0.00 0.00 54.13 57.30 2k7k s LEU 7 Cb 0.02 -3.53 -0.05 0.00 0.01 0.00 0.00 46.19 42.64 2k7k s LEU 7 CO 0.12 -1.18 -0.12 0.27 1.01 0.00 0.00 176.35 176.45 2k7k s ILE 8 N 4.99 1.94 -0.11 -0.59 -4.36 -0.07 -1.50 121.20 121.50 2k7k s ILE 8 Ca 0.87 -2.23 0.02 0.00 -0.26 0.00 0.00 60.65 59.05 2k7k s ILE 8 Cb -0.39 -2.31 0.01 0.00 1.25 0.00 0.00 42.46 41.02 2k7k s ILE 8 CO 0.38 -0.40 -0.16 -0.94 0.24 0.00 0.00 174.94 174.06 2k7k s SER 9 N -3.44 2.52 -0.01 4.36 1.04 0.82 -2.09 113.70 116.90 2k7k s SER 9 Ca 0.28 -0.45 -0.25 0.00 0.48 0.00 0.00 55.95 56.00 2k7k s SER 9 Cb 0.00 -1.13 0.06 0.00 0.10 0.00 0.00 66.02 65.04 2k7k s SER 9 CO 0.12 0.02 0.57 0.54 0.98 0.00 0.00 173.24 175.47 2k7k s VAL 10 N 0.96 0.02 -0.07 5.02 0.11 -1.09 -2.03 120.40 123.33 2k7k s VAL 10 Ca -0.07 -0.15 0.04 0.00 -2.93 0.00 0.00 61.98 58.87 2k7k s VAL 10 Cb -0.15 -0.93 -0.00 0.00 -1.53 0.00 0.00 36.38 33.77 2k7k s VAL 10 CO -0.02 -0.08 -0.21 -0.62 -3.33 0.00 0.00 175.10 170.84 2k7k s ASP 11 N -1.51 2.70 -0.00 3.54 -1.08 -1.26 -2.09 116.67 116.97 2k7k s ASP 11 Ca -0.09 -0.47 -0.02 0.00 -0.52 0.00 0.00 52.55 51.45 2k7k s ASP 11 Cb -0.01 -1.01 -0.04 0.00 -1.46 0.00 0.00 42.92 40.39 2k7k s ASP 11 CO 0.05 0.16 0.17 -0.72 0.52 0.00 0.00 175.17 175.35 2k7k s TYR 12 N 0.20 3.52 -0.13 -5.34 -0.85 -1.22 -1.82 117.35 111.71 2k7k s TYR 12 Ca -0.11 0.33 -0.01 0.00 -0.52 0.00 0.00 57.07 56.76 2k7k s TYR 12 Cb -0.15 -1.81 0.03 0.00 0.38 0.00 0.00 41.96 40.41 2k7k s TYR 12 CO 0.05 0.63 -0.05 -1.21 -1.52 0.00 0.00 175.55 173.45 2k7k s GLU 13 N -1.99 1.34 -0.07 -3.49 2.02 -0.48 -0.13 118.70 115.90 2k7k s GLU 13 Ca 0.28 -0.31 0.01 0.00 0.02 0.00 0.00 54.97 54.96 2k7k s GLU 13 Cb -0.13 -1.68 -0.03 0.00 0.10 0.00 0.00 34.13 32.39 2k7k s GLU 13 CO 0.19 -0.35 -0.06 0.42 0.02 0.00 0.00 175.26 175.48 2k7k s ILE 14 N 1.72 3.75 0.24 -1.63 1.09 -1.23 -3.31 121.20 121.84 2k7k s ILE 14 Ca 0.03 -0.46 0.12 0.00 -1.10 0.00 0.00 60.65 59.24 2k7k s ILE 14 Cb -0.14 -2.54 -0.05 0.00 -1.06 0.00 0.00 42.46 38.68 2k7k s ILE 14 CO -0.08 0.60 -0.21 0.12 -0.10 0.00 0.00 174.94 175.27 2k7k s PHE 15 N -0.79 2.26 -1.58 3.97 5.36 0.14 -0.84 117.98 126.50 2k7k s PHE 15 Ca 0.12 -0.35 0.00 0.00 -0.96 0.00 0.00 56.93 55.74 2k7k s PHE 15 Cb -0.11 -1.04 0.00 0.00 -0.34 0.00 0.00 43.02 41.53 2k7k s PHE 15 CO 0.02 0.61 0.00 0.41 -1.46 0.00 0.00 175.22 174.80 2k7k n GLY 16 N -0.25 0.40 0.32 13.12 0.00 -1.26 -1.02 105.19 116.50 2k7k n GLY 16 Ca -0.08 -1.75 0.20 0.00 0.00 0.00 0.00 46.02 44.39 2k7k n GLY 16 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2k7k h LYS 17 N 0.00 0.00 -0.85 1.61 1.63 -1.85 -2.35 116.57 114.76 2k7k h LYS 17 Ca 0.00 0.00 0.24 0.00 -0.85 0.00 0.00 60.65 60.04 2k7k h LYS 17 Cb 0.00 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 2k7k h LYS 17 CO 0.00 0.01 0.61 -0.39 -3.45 0.00 0.00 179.45 176.23 2k7k h VAL 18 N 0.00 0.58 -2.42 2.00 -1.51 -1.75 -3.37 116.25 109.77 2k7k h VAL 18 Ca -0.00 -0.00 -0.53 0.00 -1.23 0.00 0.00 66.70 64.94 2k7k h VAL 18 Cb 0.10 0.57 -0.06 0.00 -2.13 0.00 0.00 31.29 29.77 2k7k h VAL 18 CO 0.00 0.00 1.17 -1.58 -1.23 0.00 0.00 177.57 175.93 2k7k s GLN 19 N -4.99 3.06 0.00 5.19 0.74 -0.89 -3.47 119.66 119.31 2k7k s GLN 19 Ca -0.05 0.32 0.00 0.00 0.05 0.00 0.00 55.36 55.68 2k7k s GLN 19 Cb 0.21 -4.22 0.00 0.00 1.10 0.00 0.00 33.01 30.10 2k7k s GLN 19 CO 0.77 -2.24 0.00 0.41 -0.55 0.00 0.00 175.29 173.68 2k7k n GLY 20 N 5.43 0.51 3.56 2.59 0.00 -1.26 -5.03 105.19 110.99 2k7k n GLY 20 Ca 0.12 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.66 0.00 -1.30 1.61 -7.23 -1.23 -5.07 120.40 105.52 2k7k s VAL 21 Ca 0.00 -1.46 -0.10 0.00 -1.81 0.00 0.00 61.98 58.61 2k7k s VAL 21 Cb 0.00 -2.52 0.15 0.00 0.56 0.00 0.00 36.38 34.57 2k7k s VAL 21 CO 0.00 0.00 1.91 0.49 -0.31 0.00 0.00 175.10 177.19 2k7k n PHE 22 N -0.49 3.10 -0.01 2.82 3.72 -1.26 -4.37 117.46 120.97 2k7k n PHE 22 Ca -0.01 -2.83 -0.01 0.00 -0.05 0.00 0.00 57.45 54.54 2k7k n PHE 22 Cb 0.62 -2.05 -0.02 0.00 -0.94 0.00 0.00 39.48 37.09 2k7k n PHE 22 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k7k n PHE 23 N 4.26 0.00 0.22 1.38 7.35 -1.26 -4.62 117.46 124.79 2k7k n PHE 23 Ca 0.41 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 57.26 2k7k n PHE 23 Cb 0.37 -0.12 0.82 0.00 0.35 0.00 0.00 39.48 40.90 2k7k n PHE 23 CO 0.00 0.00 0.00 0.07 -0.76 0.00 0.00 176.76 176.07 2k7k h ARG 24 N 0.00 0.00 -0.25 -4.13 -0.00 -1.93 0.21 114.38 108.27 2k7k h ARG 24 Ca -0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 59.98 59.85 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 -0.09 -0.22 -0.00 0.00 0.00 179.97 179.66 2k7k h LYS 25 N 0.00 0.50 0.00 0.08 3.64 -1.92 -0.69 116.57 118.19 2k7k h LYS 25 Ca 0.06 -0.21 -0.20 0.00 -1.27 0.00 0.00 60.65 59.04 2k7k h LYS 25 Cb 0.34 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 2k7k h LYS 25 CO -0.00 0.74 -0.95 0.45 -2.27 0.00 0.00 179.45 177.43 2k7k h HIS 26 N 0.24 0.00 0.00 1.91 3.86 -1.57 -3.24 115.15 116.34 2k7k h HIS 26 Ca 0.06 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.19 2k7k h HIS 26 Cb 0.58 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 2k7k h HIS 26 CO 0.06 0.91 -0.38 1.15 0.86 0.00 0.00 177.93 180.53 2k7k h THR 27 N 0.00 0.81 -0.23 2.45 2.02 -0.60 -0.75 112.91 116.60 2k7k h THR 27 Ca -0.02 -1.64 -0.07 0.00 0.77 0.00 0.00 66.41 65.45 2k7k h THR 27 Cb 1.71 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 70.15 2k7k h THR 27 CO 0.12 0.37 -0.14 -0.61 0.37 0.00 0.00 175.52 175.63 2k7k h GLN 28 N 0.00 0.50 0.00 6.66 4.15 -1.15 -1.22 115.11 124.05 2k7k h GLN 28 Ca -0.00 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.19 2k7k h GLN 28 Cb 1.00 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.69 2k7k h GLN 28 CO 0.05 0.78 -0.12 0.00 -1.93 0.00 0.00 178.83 177.62 2k7k h ALA 29 N 0.70 0.00 -0.82 3.38 0.00 -1.63 -3.37 119.26 117.52 2k7k h ALA 29 Ca 0.05 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.01 2k7k h ALA 29 Cb 0.65 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2k7k h ALA 29 CO 0.04 0.12 0.58 0.93 0.00 0.00 0.00 179.25 180.91 2k7k h GLU 30 N -0.54 0.12 -0.30 0.00 4.39 -1.31 0.24 114.58 117.17 2k7k h GLU 30 Ca 0.00 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.78 2k7k h GLU 30 Cb 0.12 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2k7k h GLU 30 CO 0.00 0.08 0.33 0.78 -1.16 0.00 0.00 179.01 179.04 2k7k h GLY 31 N 0.12 0.00 0.00 -3.84 0.00 -1.32 -0.09 103.07 97.94 2k7k h GLY 31 Ca 0.40 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.64 2k7k h GLY 31 CO -0.05 0.00 -1.36 1.17 0.00 0.00 0.00 176.54 176.29 2k7k n LYS 32 N -3.77 0.91 0.25 4.80 0.00 0.46 -1.84 118.16 118.97 2k7k n LYS 32 Ca 0.05 0.03 0.07 0.00 0.00 0.00 0.00 58.31 58.45 2k7k n LYS 32 Cb 0.48 -1.13 0.58 0.00 0.00 0.00 0.00 35.03 34.96 2k7k n LYS 32 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2k7k h LYS 33 N 0.00 0.00 0.00 1.64 1.57 -0.54 -3.10 116.57 116.14 2k7k h LYS 33 Ca -0.14 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.41 2k7k h LYS 33 Cb 1.24 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.51 2k7k h LYS 33 CO -0.01 0.08 -1.85 -0.11 -0.57 0.00 0.00 179.45 176.98 2k7k n LEU 34 N -4.44 0.09 0.00 2.94 7.94 -0.06 -5.02 117.00 118.45 2k7k n LEU 34 Ca -0.03 -0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 2k7k n LEU 34 Cb 0.15 0.28 0.00 0.00 0.53 0.00 0.00 43.42 44.38 2k7k n LEU 34 CO 0.35 0.32 0.00 0.61 -1.11 0.00 0.00 177.39 177.56 2k7k n GLY 35 N 2.26 1.31 2.19 -3.96 0.00 -1.17 -4.62 105.19 101.20 2k7k n GLY 35 Ca -0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 2k7k n GLY 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k7k n LEU 36 N 0.00 0.00 -4.24 0.99 7.99 -0.77 -4.74 117.00 116.23 2k7k n LEU 36 Ca 0.00 -2.10 -0.28 0.00 -0.01 0.00 0.00 56.01 53.63 2k7k n LEU 36 Cb 0.00 1.27 0.23 0.00 -0.11 0.00 0.00 43.42 44.81 2k7k n LEU 36 CO 0.00 -0.38 0.13 1.33 -1.51 0.00 0.00 177.39 176.96 2k7k n VAL 37 N -0.42 0.00 -1.10 4.08 0.24 -1.26 -3.50 118.33 116.37 2k7k n VAL 37 Ca 0.04 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 2k7k n VAL 37 Cb 0.41 -0.80 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 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 1.84 0.13 3.63 7.63 0.00 -1.25 -3.06 105.19 114.11 2k7k n GLY 38 Ca 0.06 -1.32 -0.06 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.49 -0.23 -0.10 1.61 -2.14 -1.19 -3.22 118.94 110.17 2k7k s TRP 39 Ca 0.00 0.50 -0.18 0.00 2.66 0.00 0.00 56.10 59.09 2k7k s TRP 39 Cb 0.00 0.45 -0.04 0.00 -3.10 0.00 0.00 33.47 30.77 2k7k s TRP 39 CO 0.00 -0.15 0.46 0.08 -2.66 0.00 0.00 176.95 174.68 2k7k s VAL 40 N -0.41 5.17 0.07 -0.66 1.01 -1.25 -2.54 120.40 121.79 2k7k s VAL 40 Ca 0.04 0.92 0.02 0.00 0.00 0.00 0.00 61.98 62.97 2k7k s VAL 40 Cb -0.03 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 2k7k s VAL 40 CO -0.08 0.36 -0.08 -1.58 0.00 0.00 0.00 175.10 173.73 2k7k s GLN 41 N 0.40 0.69 -0.46 2.72 0.74 -0.37 -1.73 119.66 121.65 2k7k s GLN 41 Ca 0.25 -1.03 -0.15 0.00 0.05 0.00 0.00 55.36 54.48 2k7k s GLN 41 Cb -0.15 -0.30 0.07 0.00 1.10 0.00 0.00 33.01 33.72 2k7k s GLN 41 CO 0.10 0.03 0.37 0.54 -0.55 0.00 0.00 175.29 175.79 2k7k s ASN 42 N -2.25 6.07 0.83 6.67 2.20 -1.26 -2.15 114.94 125.05 2k7k s ASN 42 Ca 0.00 -1.32 -0.13 0.00 -0.94 0.00 0.00 52.86 50.47 2k7k s ASN 42 Cb -0.03 -2.15 0.07 0.00 -2.00 0.00 0.00 41.25 37.13 2k7k s ASN 42 CO -0.02 -0.62 0.98 0.35 -2.94 0.00 0.00 177.10 174.86 2k7k n THR 43 N 5.16 1.44 0.03 0.54 -2.24 -0.76 -4.85 114.28 113.60 2k7k n THR 43 Ca -0.12 -0.21 0.16 0.00 -2.27 0.00 0.00 64.05 61.62 2k7k n THR 43 Cb 0.44 -1.02 0.64 0.00 -2.10 0.00 0.00 70.33 68.29 2k7k n THR 43 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2k7k h ASP 44 N -1.05 0.08 0.10 3.42 3.58 -1.97 -1.30 116.42 119.28 2k7k h ASP 44 Ca -0.45 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 56.71 2k7k h ASP 44 Cb 1.30 -0.01 0.03 0.00 1.72 0.00 0.00 39.33 42.36 2k7k h ASP 44 CO 0.43 0.05 -1.19 0.03 -2.88 0.00 0.00 179.24 175.68 2k7k h ARG 45 N 0.09 0.62 0.00 0.28 2.47 -2.04 -3.48 114.38 112.33 2k7k h ARG 45 Ca 0.21 -0.81 0.00 0.00 -1.26 0.00 0.00 59.98 58.13 2k7k h ARG 45 Cb 0.73 0.26 0.00 0.00 -1.65 0.00 0.00 29.97 29.31 2k7k h ARG 45 CO -0.02 1.36 0.00 0.41 0.56 0.00 0.00 179.97 182.28 2k7k n GLY 46 N 1.34 1.13 3.51 0.04 0.00 -0.49 -5.13 105.19 105.59 2k7k n GLY 46 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 2k7k n GLY 46 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k7k n THR 47 N 0.00 2.20 -3.23 2.61 -1.04 -1.26 -4.57 114.28 108.99 2k7k n THR 47 Ca 0.00 -0.41 -0.45 0.00 -2.04 0.00 0.00 64.05 61.15 2k7k n THR 47 Cb 0.00 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 2k7k n THR 47 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2k7k n VAL 48 N -2.27 4.65 -2.08 12.58 0.31 -0.02 -1.83 118.33 129.67 2k7k n VAL 48 Ca 0.11 -5.37 -0.41 0.00 -0.01 0.00 0.00 64.34 58.66 2k7k n VAL 48 Cb 0.49 -2.50 -0.02 0.00 -0.91 0.00 0.00 33.84 30.90 2k7k n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k7k s GLN 49 N -1.15 4.32 -0.40 5.55 -2.07 -0.91 -3.48 119.66 121.51 2k7k s GLN 49 Ca 0.33 2.24 0.01 0.00 -1.82 0.00 0.00 55.36 56.12 2k7k s GLN 49 Cb -0.07 -3.10 0.14 0.00 -1.09 0.00 0.00 33.01 28.90 2k7k s GLN 49 CO -0.04 -0.29 0.24 0.20 -1.32 0.00 0.00 175.29 174.07 2k7k s GLY 50 N -0.06 1.28 0.49 2.60 0.00 0.82 -1.23 107.32 111.22 2k7k s GLY 50 Ca 0.54 -2.26 -0.22 0.00 0.00 0.00 0.00 44.72 42.78 2k7k s GLY 50 CO 0.48 1.83 0.86 -1.06 0.00 0.00 0.00 173.10 175.21 2k7k n GLN 51 N 3.71 1.01 -3.77 2.90 6.02 -1.05 -3.37 117.38 122.82 2k7k n GLN 51 Ca 0.12 0.37 -0.13 0.00 -0.01 0.00 0.00 57.00 57.35 2k7k n GLN 51 Cb 0.37 -1.95 -0.12 0.00 1.02 0.00 0.00 30.24 29.56 2k7k n GLN 51 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2k7k s LEU 52 N -0.41 0.81 -0.23 1.08 2.96 -0.89 -3.19 118.68 118.81 2k7k s LEU 52 Ca 0.67 0.56 -0.00 0.00 -0.22 0.00 0.00 54.13 55.14 2k7k s LEU 52 Cb -0.51 0.92 0.06 0.00 0.50 0.00 0.00 46.19 47.16 2k7k s LEU 52 CO 0.54 -0.11 -0.03 -1.10 -1.32 0.00 0.00 176.35 174.33 2k7k s GLN 53 N 0.41 1.36 -0.00 1.98 -1.52 -1.17 -2.65 119.66 118.06 2k7k s GLN 53 Ca -0.02 -0.85 -0.28 0.00 -1.95 0.00 0.00 55.36 52.26 2k7k s GLN 53 Cb -0.04 -2.46 0.10 0.00 -0.22 0.00 0.00 33.01 30.39 2k7k s GLN 53 CO -0.02 -0.62 1.27 0.20 -0.25 0.00 0.00 175.29 175.87 2k7k s GLY 54 N 1.51 -0.16 0.83 3.09 0.00 -0.89 -4.08 107.32 107.63 2k7k s GLY 54 Ca -0.04 0.12 -0.11 0.00 0.00 0.00 0.00 44.72 44.68 2k7k s GLY 54 CO -0.07 4.47 1.09 2.56 0.00 0.00 0.00 173.10 181.15 2k7k s PRO 55 N -2.10 1.81 0.59 2.90 0.04 -1.26 -0.89 135.00 136.09 2k7k s PRO 55 Ca 0.26 1.02 0.37 0.00 0.04 0.00 0.00 61.00 62.70 2k7k s PRO 55 Cb 0.00 -1.86 1.82 0.00 0.04 0.00 0.00 34.50 34.51 2k7k s PRO 55 CO -0.01 -1.91 2.16 0.97 0.04 0.00 0.00 177.00 178.25 2k7k h ILE 56 N -1.32 0.12 0.00 0.56 2.10 -1.86 0.27 117.51 117.39 2k7k h ILE 56 Ca -0.46 -0.31 -0.06 0.00 1.08 0.00 0.00 64.86 65.11 2k7k h ILE 56 Cb 1.25 1.27 -0.01 0.00 -1.09 0.00 0.00 36.82 38.24 2k7k h ILE 56 CO 0.53 0.03 -0.30 0.77 -1.08 0.00 0.00 178.15 178.09 2k7k h SER 57 N 0.00 0.00 0.00 2.19 4.64 -1.91 -2.87 113.55 115.60 2k7k h SER 57 Ca -0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 2k7k h SER 57 Cb 0.27 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.30 2k7k h SER 57 CO 0.00 0.30 -2.27 0.29 -0.87 0.00 0.00 176.83 174.29 2k7k n LYS 58 N -3.26 0.81 0.26 4.77 4.01 -0.59 -4.31 118.16 119.85 2k7k n LYS 58 Ca 0.02 0.07 0.12 0.00 -0.51 0.00 0.00 58.31 58.00 2k7k n LYS 58 Cb 0.58 -1.46 0.68 0.00 -0.51 0.00 0.00 35.03 34.31 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 0.54 0.00 -0.18 2.07 -0.60 -2.12 116.25 115.97 2k7k h VAL 59 Ca -0.50 -0.66 -0.10 0.00 0.82 0.00 0.00 66.70 66.26 2k7k h VAL 59 Cb 1.94 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 33.13 2k7k h VAL 59 CO -0.03 0.14 -0.50 -0.09 0.02 0.00 0.00 177.57 177.11 2k7k h ARG 60 N 0.00 0.00 0.26 1.57 9.65 -1.71 -2.90 114.38 121.25 2k7k h ARG 60 Ca -0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2k7k h ARG 60 Cb 0.42 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 2k7k h ARG 60 CO 0.02 0.50 -0.12 0.45 2.80 0.00 0.00 179.97 183.61 2k7k h HIS 61 N 0.00 -0.32 -0.45 2.20 3.86 -1.57 -2.64 115.15 116.23 2k7k h HIS 61 Ca -0.00 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.28 2k7k h HIS 61 Cb 1.22 0.11 -0.08 0.00 1.06 0.00 0.00 27.41 29.72 2k7k h HIS 61 CO 0.00 -0.20 -0.06 1.98 0.86 0.00 0.00 177.93 180.51 2k7k h MET 62 N -1.02 0.05 0.00 2.45 4.05 -1.65 0.18 114.93 119.00 2k7k h MET 62 Ca -0.04 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.38 2k7k h MET 62 Cb 0.27 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.05 2k7k h MET 62 CO 0.06 0.03 -0.02 -0.56 0.23 0.00 0.00 176.91 176.65 2k7k h GLN 63 N 0.05 0.00 -0.93 0.39 3.07 -1.64 -0.65 115.11 115.40 2k7k h GLN 63 Ca 0.22 0.00 -0.42 0.00 0.09 0.00 0.00 58.65 58.54 2k7k h GLN 63 Cb 0.33 0.00 -0.25 0.00 0.08 0.00 0.00 27.48 27.64 2k7k h GLN 63 CO -0.42 0.02 0.54 0.39 0.09 0.00 0.00 178.83 179.45 2k7k n GLU 64 N -4.01 2.64 0.00 0.06 -0.58 0.60 -4.03 120.64 115.32 2k7k n GLU 64 Ca -0.03 -2.95 0.00 0.00 -0.42 0.00 0.00 57.16 53.76 2k7k n GLU 64 Cb 0.11 -2.16 0.00 0.00 -0.57 0.00 0.00 31.44 28.81 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 -0.82 0.00 0.17 -0.32 -0.00 -0.30 -4.55 117.44 111.62 2k7k n TRP 65 Ca 0.53 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 58.07 2k7k n TRP 65 Cb 1.57 0.05 0.27 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 0.00 0.04 5.87 3.38 -1.61 -1.56 115.31 121.43 2k7k h LEU 66 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2k7k h LEU 66 Cb 0.32 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2k7k h LEU 66 CO 0.00 0.45 -1.67 1.05 0.09 0.00 0.00 178.44 178.36 2k7k h GLU 67 N 0.00 0.09 0.00 1.13 4.11 -1.83 -3.42 114.58 114.67 2k7k h GLU 67 Ca -0.00 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 59.27 2k7k h GLU 67 Cb 0.98 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2k7k h GLU 67 CO 0.06 0.78 0.00 0.25 0.07 0.00 0.00 179.01 180.17 2k7k n THR 68 N -3.22 0.00 -1.67 -1.06 -2.24 -1.20 -4.81 114.28 100.07 2k7k n THR 68 Ca -0.18 0.42 -0.50 0.00 -2.27 0.00 0.00 64.05 61.52 2k7k n THR 68 Cb 1.04 -1.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.08 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 -1.55 1.91 -2.91 -0.78 5.12 -0.59 -4.88 116.66 112.97 2k7k n ARG 69 Ca 0.00 0.70 -0.44 0.00 -1.93 0.00 0.00 57.85 56.18 2k7k n ARG 69 Cb 0.00 -2.48 0.00 0.00 -1.16 0.00 0.00 32.46 28.82 2k7k n ARG 69 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k7k n GLY 70 N 3.94 4.45 3.42 -0.13 0.00 -1.26 -4.76 105.19 110.86 2k7k n GLY 70 Ca 0.21 -2.37 -0.33 0.00 0.00 0.00 0.00 46.02 43.54 2k7k n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k7k n SER 71 N 3.21 -1.96 -4.72 1.61 3.41 -1.26 -4.89 113.62 109.01 2k7k n SER 71 Ca 0.31 0.31 -0.42 0.00 -0.26 0.00 0.00 58.87 58.81 2k7k n SER 71 Cb 0.37 -1.21 -0.03 0.00 -0.26 0.00 0.00 64.21 63.08 2k7k n SER 71 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2k7k s PRO 72 N -3.69 4.35 -1.71 4.33 0.04 -1.26 -2.75 135.00 134.31 2k7k s PRO 72 Ca 0.57 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2k7k s PRO 72 Cb -0.21 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.09 2k7k s PRO 72 CO 0.67 -0.36 0.00 1.63 0.04 0.00 0.00 177.00 178.98 2k7k n LYS 73 N 3.49 -1.48 -2.73 4.56 5.02 -1.26 -4.87 118.16 120.89 2k7k n LYS 73 Ca 0.09 0.98 -0.05 0.00 -2.02 0.00 0.00 58.31 57.31 2k7k n LYS 73 Cb 0.43 -5.49 0.04 0.00 -0.02 0.00 0.00 35.03 29.99 2k7k n LYS 73 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2k7k n SER 74 N -1.53 1.87 -4.62 4.39 7.64 -1.11 -3.95 113.62 116.31 2k7k n SER 74 Ca -0.22 -2.36 -0.47 0.00 1.01 0.00 0.00 58.87 56.83 2k7k n SER 74 Cb 0.66 -0.48 -0.05 0.00 -1.01 0.00 0.00 64.21 63.34 2k7k n SER 74 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2k7k n HIS 75 N -0.47 2.13 -2.29 1.43 -0.00 -1.26 -4.55 115.22 110.20 2k7k n HIS 75 Ca 0.11 -0.02 -0.35 0.00 -0.00 0.00 0.00 57.72 57.47 2k7k n HIS 75 Cb 0.81 -2.67 -0.04 0.00 -0.00 0.00 0.00 29.99 28.10 2k7k n HIS 75 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2k7k s ILE 76 N 5.72 3.79 0.31 3.57 1.09 -1.26 -3.15 121.20 131.26 2k7k s ILE 76 Ca 0.98 -1.30 0.21 0.00 -1.10 0.00 0.00 60.65 59.44 2k7k s ILE 76 Cb -0.62 -4.82 0.20 0.00 -1.06 0.00 0.00 42.46 36.16 2k7k s ILE 76 CO 0.47 -1.44 1.90 -0.78 -0.10 0.00 0.00 174.94 174.98 2k7k h ASP 77 N 8.91 0.00 -2.05 3.58 3.58 -1.40 -3.43 116.42 125.62 2k7k h ASP 77 Ca 0.31 0.00 0.08 0.00 0.42 0.00 0.00 57.03 57.84 2k7k h ASP 77 Cb 0.92 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 41.76 2k7k h ASP 77 CO 1.33 0.25 -0.06 -0.75 -2.88 0.00 0.00 179.24 177.13 2k7k s LYS 78 N -3.99 0.56 -0.01 0.28 2.36 -0.95 -4.95 119.74 113.04 2k7k s LYS 78 Ca -0.02 1.34 0.06 0.00 -2.55 0.00 0.00 55.97 54.81 2k7k s LYS 78 Cb 0.13 0.72 -0.02 0.00 -1.05 0.00 0.00 37.83 37.61 2k7k s LYS 78 CO 0.65 -0.18 -0.21 0.00 1.55 0.00 0.00 175.35 177.16 2k7k s ALA 79 N 2.65 1.71 -0.19 3.13 0.00 -1.26 -0.69 121.76 127.11 2k7k s ALA 79 Ca -0.06 -0.91 -0.35 0.00 0.00 0.00 0.00 51.96 50.64 2k7k s ALA 79 Cb -0.10 -0.42 0.14 0.00 0.00 0.00 0.00 23.12 22.74 2k7k s ALA 79 CO -0.19 0.41 1.20 1.21 0.00 0.00 0.00 175.76 178.40 2k7k s ASN 80 N -0.58 -0.14 0.23 0.00 3.84 -1.21 -5.05 114.94 112.03 2k7k s ASN 80 Ca 0.08 0.01 0.10 0.00 0.21 0.00 0.00 52.86 53.26 2k7k s ASN 80 Cb -0.08 0.15 -0.05 0.00 -0.55 0.00 0.00 41.25 40.72 2k7k s ASN 80 CO -0.00 -0.23 -0.19 0.72 -2.79 0.00 0.00 177.10 174.61 2k7k s PHE 81 N -2.35 2.05 0.93 0.43 -0.12 -1.26 -1.38 117.98 116.28 2k7k s PHE 81 Ca 0.09 -0.42 -0.14 0.00 -0.05 0.00 0.00 56.93 56.40 2k7k s PHE 81 Cb -0.01 -0.94 0.18 0.00 -0.63 0.00 0.00 43.02 41.62 2k7k s PHE 81 CO -0.05 0.53 1.28 1.21 -0.05 0.00 0.00 175.22 178.15 2k7k s ASN 82 N -3.23 3.36 -0.86 1.98 2.47 -0.75 -4.91 114.94 113.00 2k7k s ASN 82 Ca 0.25 0.28 -0.25 0.00 0.42 0.00 0.00 52.86 53.56 2k7k s ASN 82 Cb -0.04 -0.40 -0.08 0.00 -1.45 0.00 0.00 41.25 39.28 2k7k s ASN 82 CO 0.11 -2.58 2.10 0.20 -3.72 0.00 0.00 177.10 173.21 2k7k s ASN 83 N -4.84 4.72 1.05 -4.21 0.01 -1.26 -4.78 114.94 105.62 2k7k s ASN 83 Ca 0.72 -0.42 -0.16 0.00 -0.71 0.00 0.00 52.86 52.29 2k7k s ASN 83 Cb -0.05 -2.56 0.08 0.00 0.41 0.00 0.00 41.25 39.13 2k7k s ASN 83 CO 0.52 -3.13 0.17 -1.84 -1.51 0.00 0.00 177.10 171.31 2k7k n GLU 84 N 8.85 -1.07 -3.68 -0.60 0.28 -1.26 -4.94 120.64 118.21 2k7k n GLU 84 Ca 0.42 -0.29 -0.10 0.00 -0.16 0.00 0.00 57.16 57.04 2k7k n GLU 84 Cb 0.46 -1.76 -0.04 0.00 1.43 0.00 0.00 31.44 31.52 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 -3.52 1.16 -0.04 3.44 -2.85 -0.86 -4.97 119.74 112.09 2k7k s LYS 85 Ca 0.56 -0.77 -0.05 0.00 -1.00 0.00 0.00 55.97 54.71 2k7k s LYS 85 Cb -0.16 0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 36.05 2k7k s LYS 85 CO 0.67 -0.46 0.19 0.14 0.10 0.00 0.00 175.35 175.99 2k7k s VAL 86 N -3.83 5.42 0.23 1.79 -7.23 -1.26 -0.13 120.40 115.39 2k7k s VAL 86 Ca 0.05 0.08 0.05 0.00 -1.81 0.00 0.00 61.98 60.35 2k7k s VAL 86 Cb 0.01 -3.50 -0.02 0.00 0.56 0.00 0.00 36.38 33.43 2k7k s VAL 86 CO -0.09 0.45 0.19 2.30 -0.31 0.00 0.00 175.10 177.64 2k7k n ILE 87 N 1.38 0.00 0.26 -0.62 -0.00 -0.56 -4.91 119.36 114.90 2k7k n ILE 87 Ca -0.14 -1.70 -0.11 0.00 -0.00 0.00 0.00 62.75 60.80 2k7k n ILE 87 Cb 0.53 0.84 -0.05 0.00 -0.00 0.00 0.00 39.64 40.96 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 -0.61 0.00 7.28 3.38 -1.99 -3.42 115.31 119.95 2k7k h LEU 88 Ca -0.17 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 2k7k h LEU 88 Cb 0.84 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 2k7k h LEU 88 CO 0.24 -0.20 -0.02 0.29 0.09 0.00 0.00 178.44 178.84 2k7k n LYS 89 N -5.26 0.48 -0.55 1.13 5.02 -1.26 -4.78 118.16 112.95 2k7k n LYS 89 Ca -0.09 -1.55 -0.30 0.00 -2.02 0.00 0.00 58.31 54.35 2k7k n LYS 89 Cb 0.29 1.59 0.23 0.00 -0.02 0.00 0.00 35.03 37.12 2k7k n LYS 89 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2k7k n LEU 90 N 0.00 -1.99 -0.03 -0.35 4.77 -1.26 -4.98 117.00 113.16 2k7k n LEU 90 Ca -0.01 -0.17 -0.03 0.00 -0.03 0.00 0.00 56.01 55.76 2k7k n LEU 90 Cb 0.35 -1.13 -0.04 0.00 -2.33 0.00 0.00 43.42 40.27 2k7k n LEU 90 CO 0.17 -3.25 -0.70 -0.67 -1.33 0.00 0.00 177.39 171.61 2k7k n ASP 91 N -3.66 3.55 -4.40 -1.43 -0.08 -1.26 -5.06 116.55 104.21 2k7k n ASP 91 Ca 0.02 -0.01 -0.21 0.00 -1.51 0.00 0.00 54.79 53.08 2k7k n ASP 91 Cb 0.57 0.48 -0.10 0.00 2.34 0.00 0.00 41.12 44.41 2k7k n ASP 91 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 2k7k s TYR 92 N -2.14 1.91 -0.11 -0.67 1.51 -1.26 -5.06 117.35 111.53 2k7k s TYR 92 Ca -0.04 -0.58 0.17 0.00 -1.01 0.00 0.00 57.07 55.60 2k7k s TYR 92 Cb 0.02 -0.96 0.39 0.00 -0.11 0.00 0.00 41.96 41.30 2k7k s TYR 92 CO 0.22 0.40 1.18 0.43 -1.11 0.00 0.00 175.55 176.67 2k7k n SER 93 N -0.50 1.40 -3.58 2.29 7.64 -1.26 -4.81 113.62 114.79 2k7k n SER 93 Ca -0.06 -3.03 -0.05 0.00 1.01 0.00 0.00 58.87 56.74 2k7k n SER 93 Cb 0.61 -0.42 -0.02 0.00 -1.01 0.00 0.00 64.21 63.38 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 -2.62 -0.22 0.06 6.43 1.47 -1.26 -5.07 116.67 115.46 2k7k s ASP 94 Ca 0.34 -0.06 0.03 0.00 1.18 0.00 0.00 52.55 54.04 2k7k s ASP 94 Cb 0.35 0.28 -0.04 0.00 -0.34 0.00 0.00 42.92 43.17 2k7k s ASP 94 CO -0.09 -0.46 0.02 0.72 0.68 0.00 0.00 175.17 176.03 2k7k s PHE 95 N -2.79 3.06 -0.13 2.11 -0.12 -1.26 -3.87 117.98 114.98 2k7k s PHE 95 Ca 0.08 0.03 -0.29 0.00 -0.05 0.00 0.00 56.93 56.70 2k7k s PHE 95 Cb -0.00 -1.59 0.09 0.00 -0.63 0.00 0.00 43.02 40.88 2k7k s PHE 95 CO -0.06 0.49 0.80 -0.65 -0.05 0.00 0.00 175.22 175.75 2k7k s GLN 96 N -2.12 0.86 -0.04 1.99 -0.21 -1.20 -5.01 119.66 113.92 2k7k s GLN 96 Ca 0.25 0.37 -0.17 0.00 0.02 0.00 0.00 55.36 55.83 2k7k s GLN 96 Cb -0.12 0.41 -0.05 0.00 1.00 0.00 0.00 33.01 34.25 2k7k s GLN 96 CO 0.17 -0.23 0.47 0.42 -2.12 0.00 0.00 175.29 173.99 2k7k s ILE 97 N -0.81 5.05 0.04 1.08 1.01 -1.26 -3.74 121.20 122.57 2k7k s ILE 97 Ca -0.06 0.96 -0.26 0.00 0.00 0.00 0.00 60.65 61.29 2k7k s ILE 97 Cb -0.01 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 2k7k s ILE 97 CO 0.05 0.46 0.82 -0.69 0.00 0.00 0.00 174.94 175.58 2k7k s VAL 98 N -0.29 4.75 -2.20 2.92 1.01 -0.71 -4.91 120.40 120.96 2k7k s VAL 98 Ca 0.26 1.75 0.30 0.00 0.00 0.00 0.00 61.98 64.29 2k7k s VAL 98 Cb -0.16 -4.17 0.77 0.00 0.00 0.00 0.00 36.38 32.81 2k7k s VAL 98 CO 0.13 0.31 2.04 2.29 0.00 0.00 0.00 175.10 179.87