#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 3.60 -0.14 4.61 0.00 -1.26 -5.01 121.76 123.56 2k7k s ALA 2 Ca 0.00 1.03 0.01 0.00 0.00 0.00 0.00 51.96 53.00 2k7k s ALA 2 Cb 0.00 -3.58 -0.00 0.00 0.00 0.00 0.00 23.12 19.53 2k7k s ALA 2 CO 0.00 -0.80 -0.17 -1.83 0.00 0.00 0.00 175.76 172.96 2k7k s GLU 3 N 1.85 3.21 0.00 0.00 -1.05 -1.26 -4.92 118.70 116.52 2k7k s GLU 3 Ca 0.66 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.71 2k7k s GLU 3 Cb -0.35 -2.56 0.00 0.00 -0.44 0.00 0.00 34.13 30.78 2k7k s GLU 3 CO 0.29 0.07 0.00 0.41 0.95 0.00 0.00 175.26 176.98 2k7k n GLY 4 N 3.89 -0.40 2.65 -3.83 0.00 -1.26 -5.06 105.19 101.18 2k7k n GLY 4 Ca -0.19 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 2k7k n GLY 4 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k7k n ASN 5 N 0.00 7.35 -4.24 1.61 5.15 -1.26 -4.86 115.26 119.00 2k7k n ASN 5 Ca 0.00 -3.53 -0.42 0.00 -0.60 0.00 0.00 54.58 50.04 2k7k n ASN 5 Cb 0.00 -1.23 -0.03 0.00 -0.53 0.00 0.00 39.78 37.99 2k7k n ASN 5 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2k7k s THR 6 N -3.35 5.25 0.47 -0.44 2.01 -1.26 -5.04 115.64 113.28 2k7k s THR 6 Ca 0.41 -3.41 -0.24 0.00 0.31 0.00 0.00 61.69 58.77 2k7k s THR 6 Cb 0.17 -4.20 -0.09 0.00 0.01 0.00 0.00 72.50 68.39 2k7k s THR 6 CO -0.09 -1.11 1.16 0.18 -0.69 0.00 0.00 174.62 174.07 2k7k n LEU 7 N 2.81 3.80 -4.19 4.42 7.99 -1.26 -3.77 117.00 126.80 2k7k n LEU 7 Ca 0.20 1.02 -0.11 0.00 -0.01 0.00 0.00 56.01 57.11 2k7k n LEU 7 Cb 0.39 -1.45 -0.10 0.00 -0.11 0.00 0.00 43.42 42.15 2k7k n LEU 7 CO 0.40 -1.06 -0.31 0.27 -1.51 0.00 0.00 177.39 175.19 2k7k s ILE 8 N -1.28 0.33 -0.03 -0.08 -4.36 0.36 -1.54 121.20 114.59 2k7k s ILE 8 Ca 0.65 -1.94 -0.03 0.00 -0.26 0.00 0.00 60.65 59.08 2k7k s ILE 8 Cb -0.49 -2.10 0.01 0.00 1.25 0.00 0.00 42.46 41.13 2k7k s ILE 8 CO 0.55 -0.45 0.08 -0.94 0.24 0.00 0.00 174.94 174.42 2k7k s SER 9 N -3.11 -0.08 -0.06 4.36 1.04 -0.50 -1.33 113.70 114.02 2k7k s SER 9 Ca 0.25 0.16 -0.30 0.00 0.48 0.00 0.00 55.95 56.54 2k7k s SER 9 Cb 0.07 0.16 0.08 0.00 0.10 0.00 0.00 66.02 66.43 2k7k s SER 9 CO 0.03 -0.04 0.75 0.54 0.98 0.00 0.00 173.24 175.51 2k7k s VAL 10 N 0.14 0.00 0.56 5.02 0.11 -0.86 -2.03 120.40 123.35 2k7k s VAL 10 Ca -0.01 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.11 2k7k s VAL 10 Cb -0.02 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.89 2k7k s VAL 10 CO -0.00 0.00 0.54 -1.81 -3.33 0.00 0.00 175.10 170.49 2k7k s ASP 11 N -1.27 4.78 -0.21 3.54 1.11 -1.26 -1.38 116.67 121.97 2k7k s ASP 11 Ca -0.08 -1.13 -0.36 0.00 0.18 0.00 0.00 52.55 51.16 2k7k s ASP 11 Cb -0.00 0.41 0.15 0.00 1.07 0.00 0.00 42.92 44.55 2k7k s ASP 11 CO 0.07 -1.20 1.32 -0.72 1.18 0.00 0.00 175.17 175.81 2k7k s TYR 12 N -2.75 -0.05 -0.02 4.23 -0.85 -0.76 -1.45 117.35 115.69 2k7k s TYR 12 Ca 0.43 0.02 -0.15 0.00 -0.52 0.00 0.00 57.07 56.85 2k7k s TYR 12 Cb -0.03 0.51 0.03 0.00 0.38 0.00 0.00 41.96 42.84 2k7k s TYR 12 CO 0.27 -0.10 0.32 -1.83 -1.52 0.00 0.00 175.55 172.69 2k7k s GLU 13 N -2.20 0.67 -0.06 -3.49 1.03 -1.24 -1.56 118.70 111.85 2k7k s GLU 13 Ca 0.12 -0.14 0.02 0.00 0.03 0.00 0.00 54.97 55.00 2k7k s GLU 13 Cb 0.00 0.30 -0.03 0.00 -0.80 0.00 0.00 34.13 33.60 2k7k s GLU 13 CO -0.04 -0.18 -0.11 0.42 -1.33 0.00 0.00 175.26 174.02 2k7k s ILE 14 N -1.24 3.35 -0.02 1.83 1.09 -1.26 -3.69 121.20 121.26 2k7k s ILE 14 Ca -0.13 -0.62 0.04 0.00 -1.10 0.00 0.00 60.65 58.85 2k7k s ILE 14 Cb -0.05 -2.34 -0.03 0.00 -1.06 0.00 0.00 42.46 38.98 2k7k s ILE 14 CO 0.04 0.59 -0.12 -0.36 -0.10 0.00 0.00 174.94 174.99 2k7k s PHE 15 N -0.76 2.75 0.00 3.97 0.08 -0.70 -3.83 117.98 119.49 2k7k s PHE 15 Ca 0.12 -0.13 0.00 0.00 0.12 0.00 0.00 56.93 57.04 2k7k s PHE 15 Cb -0.11 -1.60 0.00 0.00 -0.57 0.00 0.00 43.02 40.74 2k7k s PHE 15 CO 0.01 0.26 0.00 0.41 -0.10 0.00 0.00 175.22 175.80 2k7k n GLY 16 N 1.97 0.58 2.37 4.36 0.00 -1.26 -0.99 105.19 112.21 2k7k n GLY 16 Ca -0.17 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.68 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 2.33 -1.06 1.61 3.00 -1.11 -4.44 118.16 118.49 2k7k n LYS 17 Ca 0.00 -2.42 -0.13 0.00 -0.00 0.00 0.00 58.31 55.77 2k7k n LYS 17 Cb 0.00 -2.04 0.17 0.00 0.00 0.00 0.00 35.03 33.16 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 0.32 2.77 -4.02 3.15 0.24 -1.26 -3.77 118.33 115.75 2k7k n VAL 18 Ca 0.46 -2.80 -0.34 0.00 -2.04 0.00 0.00 64.34 59.63 2k7k n VAL 18 Cb 0.53 -0.51 -0.15 0.00 -1.47 0.00 0.00 33.84 32.24 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 -3.36 2.74 0.00 7.34 -2.07 -1.26 -4.59 119.66 118.46 2k7k s GLN 19 Ca 0.49 -1.03 0.00 0.00 -1.82 0.00 0.00 55.36 53.01 2k7k s GLN 19 Cb 0.43 -2.88 0.00 0.00 -1.09 0.00 0.00 33.01 29.48 2k7k s GLN 19 CO 0.02 -0.40 0.00 0.41 -1.32 0.00 0.00 175.29 174.00 2k7k n GLY 20 N 4.61 1.04 2.03 2.60 0.00 -1.26 -5.09 105.19 109.12 2k7k n GLY 20 Ca -0.17 -0.41 -0.15 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.32 0.00 -2.25 1.61 0.24 -1.26 -5.05 118.33 109.29 2k7k n VAL 21 Ca 0.00 -1.21 -0.34 0.00 -2.04 0.00 0.00 64.34 60.75 2k7k n VAL 21 Cb 0.10 -0.13 0.02 0.00 -1.47 0.00 0.00 33.84 32.36 2k7k n VAL 21 CO 0.00 0.00 0.00 2.22 -2.14 0.00 0.00 176.83 176.91 2k7k n PHE 22 N -1.08 3.21 0.29 6.34 -1.74 -1.26 -4.74 117.46 118.47 2k7k n PHE 22 Ca -0.04 -2.75 0.16 0.00 -0.56 0.00 0.00 57.45 54.26 2k7k n PHE 22 Cb 0.34 -0.69 0.90 0.00 1.52 0.00 0.00 39.48 41.54 2k7k n PHE 22 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 2k7k h PHE 23 N 2.90 0.00 -0.72 2.97 -5.15 -1.97 -2.36 116.94 112.61 2k7k h PHE 23 Ca 0.43 0.00 -0.48 0.00 -0.20 0.00 0.00 57.97 57.72 2k7k h PHE 23 Cb 0.44 0.00 -0.21 0.00 0.22 0.00 0.00 35.95 36.39 2k7k h PHE 23 CO 1.02 0.05 0.62 2.89 -2.00 0.00 0.00 178.31 180.89 2k7k n ARG 24 N -3.50 2.19 0.00 6.09 1.85 -1.26 -3.51 116.66 118.51 2k7k n ARG 24 Ca -0.02 -2.36 0.00 0.00 -1.00 0.00 0.00 57.85 54.47 2k7k n ARG 24 Cb 0.16 -1.92 0.00 0.00 -1.05 0.00 0.00 32.46 29.65 2k7k n ARG 24 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2k7k n LYS 25 N -0.29 0.00 0.05 2.89 5.02 -0.89 -4.82 118.16 120.12 2k7k n LYS 25 Ca 0.45 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.76 2k7k n LYS 25 Cb 0.69 -0.54 -0.06 0.00 -0.02 0.00 0.00 35.03 35.09 2k7k n LYS 25 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2k7k h HIS 26 N 0.00 0.00 -0.66 2.13 2.76 -1.71 -3.36 115.15 114.31 2k7k h HIS 26 Ca 0.00 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 2k7k h HIS 26 Cb 0.21 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.15 2k7k h HIS 26 CO 0.00 0.49 0.09 1.15 -1.30 0.00 0.00 177.93 178.36 2k7k h THR 27 N 0.00 1.27 -0.50 6.26 2.02 -1.87 -2.45 112.91 117.63 2k7k h THR 27 Ca -0.13 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 65.99 2k7k h THR 27 Cb 1.49 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 2k7k h THR 27 CO 0.04 0.40 0.32 -0.61 0.37 0.00 0.00 175.52 176.04 2k7k h GLN 28 N 1.03 0.67 0.31 6.66 -0.00 -1.86 0.22 115.11 122.14 2k7k h GLN 28 Ca 0.20 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.65 58.79 2k7k h GLN 28 Cb 0.47 -0.15 0.00 0.00 0.00 0.00 0.00 27.48 27.80 2k7k h GLN 28 CO 0.02 0.45 -0.15 0.00 0.00 0.00 0.00 178.83 179.15 2k7k h ALA 29 N 1.67 -0.41 0.00 3.38 0.00 -1.64 -3.19 119.26 119.06 2k7k h ALA 29 Ca 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2k7k h ALA 29 Cb -0.06 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2k7k h ALA 29 CO -0.04 -0.48 -0.11 1.05 0.00 0.00 0.00 179.25 179.67 2k7k h GLU 30 N -0.91 0.00 -0.00 0.00 4.11 -1.31 -2.06 114.58 114.41 2k7k h GLU 30 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2k7k h GLU 30 Cb 0.52 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 2k7k h GLU 30 CO 0.07 0.11 0.00 0.78 0.07 0.00 0.00 179.01 180.04 2k7k h GLY 31 N 0.50 0.00 2.00 1.06 0.00 -0.54 -0.63 103.07 105.45 2k7k h GLY 31 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 2k7k h GLY 31 CO 0.01 0.00 -0.54 1.70 0.00 0.00 0.00 176.54 177.71 2k7k h LYS 32 N 0.00 0.00 0.56 4.80 3.11 -1.42 -2.70 116.57 120.92 2k7k h LYS 32 Ca 0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 2k7k h LYS 32 Cb 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.23 2k7k h LYS 32 CO -0.00 0.54 -0.44 0.87 -2.81 0.00 0.00 179.45 177.61 2k7k h LYS 33 N 0.00 -0.94 -0.19 1.90 1.57 -1.20 -3.00 116.57 114.71 2k7k h LYS 33 Ca -0.01 0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.70 2k7k h LYS 33 Cb 1.34 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.85 2k7k h LYS 33 CO 0.07 -0.62 -0.47 -0.07 -0.57 0.00 0.00 179.45 177.79 2k7k h LEU 34 N -0.97 0.51 -0.17 2.94 -0.00 -1.68 -3.47 115.31 112.46 2k7k h LEU 34 Ca -0.07 -0.24 0.00 0.00 -0.00 0.00 0.00 57.88 57.56 2k7k h LEU 34 Cb 0.81 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.33 2k7k h LEU 34 CO 0.01 0.90 0.00 0.61 -0.00 0.00 0.00 178.44 179.96 2k7k n GLY 35 N 0.06 1.05 3.98 0.83 0.00 -1.02 -5.07 105.19 105.02 2k7k n GLY 35 Ca -0.02 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.17 3.24 0.27 0.99 1.43 -1.19 -5.05 118.68 118.20 2k7k s LEU 36 Ca 0.00 -0.17 0.11 0.00 -1.03 0.00 0.00 54.13 53.04 2k7k s LEU 36 Cb 0.00 -2.61 -0.05 0.00 0.03 0.00 0.00 46.19 43.56 2k7k s LEU 36 CO 0.00 -1.25 -0.18 0.68 0.23 0.00 0.00 176.35 175.83 2k7k s VAL 37 N -2.79 2.30 0.00 -1.59 -7.23 -1.15 -3.86 120.40 106.08 2k7k s VAL 37 Ca 0.59 -2.35 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 2k7k s VAL 37 Cb -0.09 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.57 2k7k s VAL 37 CO 0.39 -0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 2k7k n GLY 38 N -0.58 -0.29 3.72 2.32 0.00 -1.26 -2.26 105.19 106.84 2k7k n GLY 38 Ca -0.06 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.99 -0.04 -0.02 1.61 -2.14 -1.26 -3.29 118.94 111.82 2k7k s TRP 39 Ca 0.00 -0.13 -0.00 0.00 2.66 0.00 0.00 56.10 58.63 2k7k s TRP 39 Cb 0.00 0.58 0.03 0.00 -3.10 0.00 0.00 33.47 30.98 2k7k s TRP 39 CO 0.00 -0.43 0.04 0.08 -2.66 0.00 0.00 176.95 173.98 2k7k s VAL 40 N -2.49 -0.05 0.32 -0.66 1.01 -1.23 -4.22 120.40 113.08 2k7k s VAL 40 Ca 0.17 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.30 2k7k s VAL 40 Cb 0.02 -0.09 0.02 0.00 0.00 0.00 0.00 36.38 36.33 2k7k s VAL 40 CO -0.02 0.08 0.49 0.00 0.00 0.00 0.00 175.10 175.65 2k7k n GLN 41 N 4.05 0.70 -4.37 2.72 10.64 -1.25 -0.97 117.38 128.90 2k7k n GLN 41 Ca -0.26 -2.42 -0.24 0.00 -1.83 0.00 0.00 57.00 52.25 2k7k n GLN 41 Cb 0.51 2.43 -0.09 0.00 -0.86 0.00 0.00 30.24 32.24 2k7k n GLN 41 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2k7k s ASN 42 N -2.93 4.10 0.49 2.61 4.22 -1.26 -3.97 114.94 118.20 2k7k s ASN 42 Ca 0.24 -0.82 0.08 0.00 -2.14 0.00 0.00 52.86 50.23 2k7k s ASN 42 Cb -0.01 -0.59 0.04 0.00 1.28 0.00 0.00 41.25 41.96 2k7k s ASN 42 CO 0.17 0.02 0.63 0.42 -2.04 0.00 0.00 177.10 176.31 2k7k s THR 43 N -2.38 2.53 0.26 0.54 -4.23 -1.18 -4.91 115.64 106.26 2k7k s THR 43 Ca 0.30 -1.07 0.18 0.00 -1.18 0.00 0.00 61.69 59.93 2k7k s THR 43 Cb -0.06 -2.59 0.14 0.00 1.34 0.00 0.00 72.50 71.33 2k7k s THR 43 CO 0.17 0.00 1.80 0.44 -0.54 0.00 0.00 174.62 176.49 2k7k h ASP 44 N 0.50 0.00 0.00 3.99 3.32 -2.01 -3.27 116.42 118.95 2k7k h ASP 44 Ca -0.36 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.64 2k7k h ASP 44 Cb 1.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 2k7k h ASP 44 CO 0.45 0.35 -0.36 0.03 -1.72 0.00 0.00 179.24 177.99 2k7k h ARG 45 N 0.00 0.00 0.00 3.56 -0.00 -2.05 -3.49 114.38 112.40 2k7k h ARG 45 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2k7k h ARG 45 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.74 2k7k h ARG 45 CO 0.05 0.69 0.00 0.41 0.00 0.00 0.00 179.97 181.12 2k7k n GLY 46 N 1.60 0.40 3.25 0.04 0.00 -1.23 -5.09 105.19 104.16 2k7k n GLY 46 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 2k7k n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k7k n THR 47 N 0.00 0.00 -3.80 2.61 -2.24 -1.26 -4.32 114.28 105.27 2k7k n THR 47 Ca 0.00 -0.25 -0.31 0.00 -2.27 0.00 0.00 64.05 61.22 2k7k n THR 47 Cb 0.00 -0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 67.44 2k7k n THR 47 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2k7k s VAL 48 N -2.21 3.44 0.23 2.28 1.01 -1.25 -3.11 120.40 120.79 2k7k s VAL 48 Ca 0.55 -4.05 -0.30 0.00 0.00 0.00 0.00 61.98 58.19 2k7k s VAL 48 Cb -0.13 -3.21 -0.09 0.00 0.00 0.00 0.00 36.38 32.96 2k7k s VAL 48 CO 0.59 -1.02 1.21 -1.58 0.00 0.00 0.00 175.10 174.30 2k7k s GLN 49 N -1.32 4.49 -0.15 2.72 0.74 -1.25 -4.05 119.66 120.84 2k7k s GLN 49 Ca 0.25 1.94 -0.12 0.00 0.05 0.00 0.00 55.36 57.48 2k7k s GLN 49 Cb -0.07 -3.20 0.04 0.00 1.10 0.00 0.00 33.01 30.88 2k7k s GLN 49 CO -0.14 -0.06 0.38 0.20 -0.55 0.00 0.00 175.29 175.12 2k7k s GLY 50 N -0.15 -0.28 -0.39 2.59 0.00 -0.60 -3.85 107.32 104.64 2k7k s GLY 50 Ca 0.51 1.14 -0.06 0.00 0.00 0.00 0.00 44.72 46.32 2k7k s GLY 50 CO 0.40 1.07 0.19 1.62 0.00 0.00 0.00 173.10 176.38 2k7k s GLN 51 N 0.46 2.40 -0.14 2.90 0.74 -1.26 -1.83 119.66 122.93 2k7k s GLN 51 Ca -0.02 -1.51 -0.19 0.00 0.05 0.00 0.00 55.36 53.69 2k7k s GLN 51 Cb -0.04 -3.60 -0.04 0.00 1.10 0.00 0.00 33.01 30.43 2k7k s GLN 51 CO -0.02 -0.91 0.50 -1.17 -0.55 0.00 0.00 175.29 173.14 2k7k s LEU 52 N 1.31 4.24 -0.19 3.68 2.96 -0.48 -4.08 118.68 126.12 2k7k s LEU 52 Ca 0.03 0.79 0.01 0.00 -0.22 0.00 0.00 54.13 54.73 2k7k s LEU 52 Cb -0.22 -2.72 0.04 0.00 0.50 0.00 0.00 46.19 43.79 2k7k s LEU 52 CO -0.00 -0.07 -0.09 -1.10 -1.32 0.00 0.00 176.35 173.77 2k7k s GLN 53 N 0.97 1.88 0.04 1.98 -0.21 -0.96 -2.03 119.66 121.33 2k7k s GLN 53 Ca 0.26 -0.78 -0.20 0.00 0.02 0.00 0.00 55.36 54.66 2k7k s GLN 53 Cb -0.15 -2.34 0.07 0.00 1.00 0.00 0.00 33.01 31.59 2k7k s GLN 53 CO 0.10 -0.44 0.93 0.41 -2.12 0.00 0.00 175.29 174.17 2k7k n GLY 54 N 4.73 0.47 3.77 3.09 0.00 -0.45 -2.95 105.19 113.86 2k7k n GLY 54 Ca -0.14 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.02 3.59 0.58 1.61 0.04 -1.26 -0.49 135.00 137.06 2k7k s PRO 55 Ca 0.21 1.71 0.28 0.00 0.04 0.00 0.00 61.00 63.24 2k7k s PRO 55 Cb -0.01 -2.24 1.59 0.00 0.04 0.00 0.00 34.50 33.87 2k7k s PRO 55 CO 0.01 -0.67 2.05 0.97 0.04 0.00 0.00 177.00 179.40 2k7k h ILE 56 N 1.60 0.48 0.00 0.56 2.10 -1.89 0.30 117.51 120.65 2k7k h ILE 56 Ca -0.50 0.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.39 2k7k h ILE 56 Cb 1.25 0.78 -0.01 0.00 -1.09 0.00 0.00 36.82 37.76 2k7k h ILE 56 CO 0.59 0.00 -0.27 0.28 -1.08 0.00 0.00 178.15 177.66 2k7k h SER 57 N 0.00 0.00 0.00 2.19 0.02 -1.91 -2.51 113.55 111.35 2k7k h SER 57 Ca 0.13 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.72 2k7k h SER 57 Cb 0.67 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.15 2k7k h SER 57 CO -0.00 0.27 -2.35 0.29 -1.14 0.00 0.00 176.83 173.91 2k7k n LYS 58 N -3.77 0.76 -0.12 3.45 4.01 0.64 -4.27 118.16 118.85 2k7k n LYS 58 Ca -0.01 0.06 0.03 0.00 -0.51 0.00 0.00 58.31 57.87 2k7k n LYS 58 Cb 0.37 -1.49 0.33 0.00 -0.51 0.00 0.00 35.03 33.74 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 1.14 0.00 -0.18 2.07 -0.57 0.16 116.25 118.87 2k7k h VAL 59 Ca -0.53 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 2k7k h VAL 59 Cb 2.02 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 2k7k h VAL 59 CO -0.03 0.14 -0.32 -0.09 0.02 0.00 0.00 177.57 177.30 2k7k h ARG 60 N 0.79 0.00 0.00 1.57 9.65 -1.66 -1.80 114.38 122.93 2k7k h ARG 60 Ca 0.22 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 59.05 2k7k h ARG 60 Cb -0.06 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.51 2k7k h ARG 60 CO -0.05 0.32 -0.44 1.25 2.80 0.00 0.00 179.97 183.85 2k7k h HIS 61 N 0.00 0.00 -0.56 2.20 2.76 -1.37 -3.30 115.15 114.88 2k7k h HIS 61 Ca -0.00 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.25 2k7k h HIS 61 Cb 0.75 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.65 2k7k h HIS 61 CO 0.00 0.52 0.20 1.98 -1.30 0.00 0.00 177.93 179.32 2k7k h MET 62 N -1.00 0.36 -0.66 5.26 1.85 -0.81 -0.01 114.93 119.92 2k7k h MET 62 Ca -0.08 -0.02 0.15 0.00 -0.61 0.00 0.00 59.70 59.14 2k7k h MET 62 Cb 0.63 -0.08 -0.04 0.00 0.43 0.00 0.00 31.60 32.55 2k7k h MET 62 CO -0.05 0.24 0.45 -0.56 -0.40 0.00 0.00 176.91 176.59 2k7k h GLN 63 N 0.37 0.25 -0.89 0.39 3.07 -1.50 0.25 115.11 117.04 2k7k h GLN 63 Ca 0.28 -0.01 -0.32 0.00 0.09 0.00 0.00 58.65 58.69 2k7k h GLN 63 Cb 0.33 -0.06 -0.19 0.00 0.08 0.00 0.00 27.48 27.65 2k7k h GLN 63 CO -0.29 0.16 0.40 0.39 0.09 0.00 0.00 178.83 179.59 2k7k n GLU 64 N -4.44 2.77 0.00 0.06 -0.58 -0.04 -4.06 120.64 114.35 2k7k n GLU 64 Ca 0.12 -2.65 0.00 0.00 -0.42 0.00 0.00 57.16 54.22 2k7k n GLU 64 Cb 0.55 -2.07 0.00 0.00 -0.57 0.00 0.00 31.44 29.35 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 -0.49 0.00 -0.07 -0.32 -0.00 0.82 -4.55 117.44 112.83 2k7k n TRP 65 Ca 0.44 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.80 2k7k n TRP 65 Cb 1.39 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 32.64 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 0.71 -0.80 5.87 3.38 -1.57 0.23 115.31 123.13 2k7k h LEU 66 Ca 0.00 -0.52 -0.13 0.00 0.09 0.00 0.00 57.88 57.32 2k7k h LEU 66 Cb 0.62 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2k7k h LEU 66 CO 0.00 1.09 -0.52 1.05 0.09 0.00 0.00 178.44 180.16 2k7k h GLU 67 N 0.34 0.22 0.00 1.13 4.11 -1.84 -3.35 114.58 115.19 2k7k h GLU 67 Ca 0.02 -0.13 0.00 0.00 0.07 0.00 0.00 59.36 59.32 2k7k h GLU 67 Cb 0.95 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2k7k h GLU 67 CO 0.08 0.69 -0.03 1.79 0.07 0.00 0.00 179.01 181.61 2k7k h THR 68 N 0.17 0.00 -3.73 -1.06 1.35 -1.79 -3.48 112.91 104.38 2k7k h THR 68 Ca 0.00 -0.55 -0.44 0.00 -0.55 0.00 0.00 66.41 64.88 2k7k h THR 68 Cb 0.97 0.00 0.17 0.00 -1.73 0.00 0.00 68.15 67.56 2k7k h THR 68 CO 0.08 0.00 0.40 -0.13 -0.25 0.00 0.00 175.52 175.62 2k7k s ARG 69 N -1.34 0.43 0.00 4.72 3.00 0.80 -5.07 118.95 121.49 2k7k s ARG 69 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 55.73 55.13 2k7k s ARG 69 Cb 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 34.95 33.09 2k7k s ARG 69 CO 0.01 -2.52 0.00 0.41 0.00 0.00 0.00 175.30 173.20 2k7k n GLY 70 N -3.79 4.16 3.60 -3.53 0.00 -1.26 -4.63 105.19 99.74 2k7k n GLY 70 Ca 0.17 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 2k7k n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k7k n SER 71 N 0.00 -0.33 0.13 1.61 7.64 -1.26 -4.92 113.62 116.49 2k7k n SER 71 Ca 0.00 0.37 -0.01 0.00 1.01 0.00 0.00 58.87 60.23 2k7k n SER 71 Cb 0.00 -1.40 0.23 0.00 -1.01 0.00 0.00 64.21 62.03 2k7k n SER 71 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2k7k h PRO 72 N -1.87 0.12 -1.03 1.43 0.13 -2.01 -2.96 132.00 125.82 2k7k h PRO 72 Ca -0.44 -0.06 -0.43 0.00 -0.87 0.00 0.00 66.00 64.19 2k7k h PRO 72 Cb 1.28 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.16 2k7k h PRO 72 CO 0.40 0.57 0.55 1.63 -0.23 0.00 0.00 178.00 180.93 2k7k n LYS 73 N -3.97 2.05 -3.16 0.86 5.02 -1.26 -4.45 118.16 113.24 2k7k n LYS 73 Ca -0.02 -2.44 -0.20 0.00 -2.02 0.00 0.00 58.31 53.64 2k7k n LYS 73 Cb 0.51 -1.96 -0.04 0.00 -0.02 0.00 0.00 35.03 33.53 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 -0.77 1.23 -4.69 4.39 7.64 -1.12 -4.56 113.62 115.75 2k7k n SER 74 Ca 0.48 -3.07 -0.44 0.00 1.01 0.00 0.00 58.87 56.86 2k7k n SER 74 Cb 1.33 -0.62 -0.04 0.00 -1.01 0.00 0.00 64.21 63.87 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 0.32 2.50 -2.80 1.43 -0.00 -1.25 -4.74 115.22 110.68 2k7k n HIS 75 Ca 0.25 -0.00 -0.43 0.00 0.46 0.00 0.00 57.72 58.00 2k7k n HIS 75 Cb 0.61 -2.67 0.01 0.00 -0.12 0.00 0.00 29.99 27.82 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 4.37 4.94 0.15 3.57 5.41 -1.26 -2.73 119.36 133.81 2k7k n ILE 76 Ca 0.18 -5.37 0.10 0.00 1.00 0.00 0.00 62.75 58.67 2k7k n ILE 76 Cb 0.34 -2.21 0.61 0.00 -0.71 0.00 0.00 39.64 37.67 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 5.66 0.08 -3.67 4.38 3.58 -1.41 -3.42 116.42 121.62 2k7k h ASP 77 Ca 0.27 -0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.53 2k7k h ASP 77 Cb 0.64 -0.02 -0.27 0.00 1.72 0.00 0.00 39.33 41.40 2k7k h ASP 77 CO 1.41 0.06 -0.47 -0.75 -2.88 0.00 0.00 179.24 176.61 2k7k s LYS 78 N -5.13 0.24 -0.10 0.28 2.36 -0.85 -4.96 119.74 111.56 2k7k s LYS 78 Ca -0.06 0.37 -0.03 0.00 -2.55 0.00 0.00 55.97 53.70 2k7k s LYS 78 Cb 0.18 0.04 0.05 0.00 -1.05 0.00 0.00 37.83 37.05 2k7k s LYS 78 CO 0.70 -0.07 0.11 0.00 1.55 0.00 0.00 175.35 177.63 2k7k s ALA 79 N 0.48 0.11 0.32 3.13 0.00 -1.26 -1.72 121.76 122.82 2k7k s ALA 79 Ca -0.03 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.15 2k7k s ALA 79 Cb -0.04 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 2k7k s ALA 79 CO -0.02 -0.74 0.15 1.21 0.00 0.00 0.00 175.76 176.35 2k7k s ASN 80 N 2.21 1.77 0.33 0.00 2.47 -1.24 -5.08 114.94 115.41 2k7k s ASN 80 Ca 0.04 -1.57 0.03 0.00 0.42 0.00 0.00 52.86 51.79 2k7k s ASN 80 Cb -0.13 0.37 -0.04 0.00 -1.45 0.00 0.00 41.25 40.00 2k7k s ASN 80 CO -0.06 -0.88 0.12 0.72 -3.72 0.00 0.00 177.10 173.28 2k7k s PHE 81 N -3.53 1.72 0.46 0.43 -0.12 -1.26 -3.69 117.98 112.00 2k7k s PHE 81 Ca 0.34 -1.24 0.06 0.00 -0.05 0.00 0.00 56.93 56.05 2k7k s PHE 81 Cb 0.05 -1.04 0.06 0.00 -0.63 0.00 0.00 43.02 41.46 2k7k s PHE 81 CO 0.17 -0.32 0.53 -1.71 -0.05 0.00 0.00 175.22 173.84 2k7k n ASN 82 N -0.94 1.94 -4.56 1.98 2.85 -0.53 -4.93 115.26 111.07 2k7k n ASN 82 Ca -0.02 -2.33 -0.25 0.00 -0.11 0.00 0.00 54.58 51.87 2k7k n ASN 82 Cb 0.65 -0.23 -0.06 0.00 1.24 0.00 0.00 39.78 41.39 2k7k n ASN 82 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 2k7k s ASN 83 N -3.78 4.95 0.18 1.20 0.01 -1.26 -4.80 114.94 111.44 2k7k s ASN 83 Ca 0.40 -0.70 -0.33 0.00 -0.71 0.00 0.00 52.86 51.52 2k7k s ASN 83 Cb -0.03 -2.56 -0.14 0.00 0.41 0.00 0.00 41.25 38.92 2k7k s ASN 83 CO 0.26 -2.96 1.44 1.21 -1.51 0.00 0.00 177.10 175.54 2k7k n GLU 84 N 8.78 1.87 -4.43 -0.60 2.13 -1.26 -4.89 120.64 122.23 2k7k n GLU 84 Ca 0.41 0.67 -0.21 0.00 0.66 0.00 0.00 57.16 58.69 2k7k n GLU 84 Cb 0.46 -2.35 -0.10 0.00 0.27 0.00 0.00 31.44 29.72 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 0.20 1.55 -0.02 5.31 -2.85 -0.86 -4.98 119.74 118.09 2k7k s LYS 85 Ca 0.75 -1.80 0.02 0.00 -1.00 0.00 0.00 55.97 53.94 2k7k s LYS 85 Cb -0.72 -1.09 -0.03 0.00 -2.06 0.00 0.00 37.83 33.93 2k7k s LYS 85 CO 0.45 0.00 -0.06 0.14 0.10 0.00 0.00 175.35 175.98 2k7k s VAL 86 N -3.07 3.69 0.36 1.79 -7.23 -1.26 -1.41 120.40 113.27 2k7k s VAL 86 Ca 0.30 -0.67 0.06 0.00 -1.81 0.00 0.00 61.98 59.86 2k7k s VAL 86 Cb 0.05 -2.58 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 2k7k s VAL 86 CO 0.12 0.46 0.22 0.27 -0.31 0.00 0.00 175.10 175.86 2k7k s ILE 87 N -0.94 0.22 -0.00 -0.62 -0.00 -0.59 -4.97 121.20 114.30 2k7k s ILE 87 Ca 0.16 -2.00 -0.24 0.00 -0.00 0.00 0.00 60.65 58.57 2k7k s ILE 87 Cb -0.11 -2.42 -0.13 0.00 -0.00 0.00 0.00 42.46 39.79 2k7k s ILE 87 CO 0.06 0.00 0.98 -0.07 -0.00 0.00 0.00 174.94 175.91 2k7k h LEU 88 N 2.00 -0.72 0.00 0.37 4.07 -1.98 -3.36 115.31 115.69 2k7k h LEU 88 Ca -0.29 0.02 -0.14 0.00 0.08 0.00 0.00 57.88 57.55 2k7k h LEU 88 Cb 1.25 0.19 -0.03 0.00 1.08 0.00 0.00 40.66 43.14 2k7k h LEU 88 CO 0.44 -0.32 -0.04 2.29 -1.08 0.00 0.00 178.44 179.74 2k7k n LYS 89 N -5.34 0.51 -0.84 1.13 2.85 -1.26 -4.54 118.16 110.67 2k7k n LYS 89 Ca -0.11 -1.70 -0.30 0.00 -1.05 0.00 0.00 58.31 55.15 2k7k n LYS 89 Cb 0.33 1.73 0.16 0.00 -0.65 0.00 0.00 35.03 36.60 2k7k n LYS 89 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2k7k s LEU 90 N 0.00 2.46 -0.07 -5.58 1.43 -1.26 -4.98 118.68 110.67 2k7k s LEU 90 Ca 0.17 1.92 0.08 0.00 -1.03 0.00 0.00 54.13 55.26 2k7k s LEU 90 Cb -0.01 -4.28 -0.11 0.00 0.03 0.00 0.00 46.19 41.82 2k7k s LEU 90 CO 0.12 -3.05 0.06 -0.67 0.23 0.00 0.00 176.35 173.04 2k7k n ASP 91 N -4.18 2.98 -4.94 2.29 -0.08 -1.26 -5.03 116.55 106.32 2k7k n ASP 91 Ca 0.09 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.18 2k7k n ASP 91 Cb 0.53 0.83 -0.02 0.00 2.34 0.00 0.00 41.12 44.81 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 -2.28 3.03 -0.08 -0.67 1.51 -1.26 -5.04 117.35 112.56 2k7k s TYR 92 Ca -0.04 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 2k7k s TYR 92 Cb 0.03 -1.94 -0.25 0.00 -0.11 0.00 0.00 41.96 39.68 2k7k s TYR 92 CO 0.34 0.04 0.53 0.77 -1.11 0.00 0.00 175.55 176.13 2k7k h SER 93 N 1.01 0.28 -4.05 2.29 0.02 -1.96 -3.49 113.55 107.65 2k7k h SER 93 Ca -0.45 -0.58 0.16 0.00 -0.84 0.00 0.00 61.79 60.07 2k7k h SER 93 Cb 1.26 -0.09 -0.22 0.00 0.14 0.00 0.00 62.40 63.49 2k7k h SER 93 CO 0.54 1.52 0.68 1.51 -1.14 0.00 0.00 176.83 179.94 2k7k s ASP 94 N -6.72 -0.25 0.36 3.07 -4.77 -1.26 -4.98 116.67 102.12 2k7k s ASP 94 Ca -0.15 0.17 -0.26 0.00 -3.30 0.00 0.00 52.55 49.02 2k7k s ASP 94 Cb 0.07 0.23 -0.12 0.00 -1.09 0.00 0.00 42.92 42.01 2k7k s ASP 94 CO 0.80 -0.31 1.06 2.22 0.70 0.00 0.00 175.17 179.65 2k7k n PHE 95 N 0.33 1.41 -3.68 2.11 1.16 -1.25 -4.44 117.46 113.11 2k7k n PHE 95 Ca -0.06 0.60 -0.10 0.00 -1.87 0.00 0.00 57.45 56.03 2k7k n PHE 95 Cb 0.59 -2.27 -0.09 0.00 -1.61 0.00 0.00 39.48 36.09 2k7k n PHE 95 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 2k7k s GLN 96 N -1.83 0.53 0.36 3.97 -1.52 -1.21 -4.92 119.66 115.05 2k7k s GLN 96 Ca 0.60 0.94 -0.27 0.00 -1.95 0.00 0.00 55.36 54.68 2k7k s GLN 96 Cb -0.61 0.07 -0.09 0.00 -0.22 0.00 0.00 33.01 32.17 2k7k s GLN 96 CO 0.59 -0.15 1.17 0.42 -0.25 0.00 0.00 175.29 177.08 2k7k s ILE 97 N 1.35 3.17 -0.19 1.08 -1.09 -1.26 -3.49 121.20 120.77 2k7k s ILE 97 Ca -0.09 1.05 -0.00 0.00 -2.23 0.00 0.00 60.65 59.38 2k7k s ILE 97 Cb -0.07 -3.62 0.01 0.00 -1.58 0.00 0.00 42.46 37.21 2k7k s ILE 97 CO -0.14 0.15 -0.15 -0.69 -1.23 0.00 0.00 174.94 172.88 2k7k s VAL 98 N -1.33 2.47 -2.44 2.92 1.01 -0.15 -4.87 120.40 118.02 2k7k s VAL 98 Ca 0.53 -0.80 0.29 0.00 0.00 0.00 0.00 61.98 61.99 2k7k s VAL 98 Cb -0.32 -2.07 0.60 0.00 0.00 0.00 0.00 36.38 34.59 2k7k s VAL 98 CO 0.41 0.51 1.81 0.29 0.00 0.00 0.00 175.10 178.11