#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7k n ALA 2 N 0.00 1.23 -2.21 4.61 0.00 -1.26 -4.98 120.51 117.90 2k7k n ALA 2 Ca 0.00 0.41 -0.23 0.00 0.00 0.00 0.00 53.44 53.62 2k7k n ALA 2 Cb 0.00 -2.39 0.03 0.00 0.00 0.00 0.00 19.45 17.09 2k7k n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k7k s GLU 3 N 1.71 2.28 0.00 0.00 2.02 -1.26 -4.73 118.70 118.71 2k7k s GLU 3 Ca 0.82 -1.82 0.00 0.00 0.02 0.00 0.00 54.97 53.99 2k7k s GLU 3 Cb -0.68 -2.39 0.00 0.00 0.10 0.00 0.00 34.13 31.16 2k7k s GLU 3 CO 0.41 -0.75 0.00 0.41 0.02 0.00 0.00 175.26 175.35 2k7k n GLY 4 N -2.02 2.06 2.75 -1.39 0.00 -1.26 -4.73 105.19 100.61 2k7k n GLY 4 Ca 0.07 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 2k7k n GLY 4 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k7k n ASN 5 N 3.18 6.59 -4.50 1.61 4.13 -1.26 -4.91 115.26 120.10 2k7k n ASN 5 Ca 0.00 -3.73 -0.43 0.00 1.68 0.00 0.00 54.58 52.10 2k7k n ASN 5 Cb 0.00 -0.95 -0.03 0.00 -1.54 0.00 0.00 39.78 37.26 2k7k n ASN 5 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2k7k s THR 6 N -4.71 4.35 -0.07 3.41 2.01 -1.26 -4.99 115.64 114.38 2k7k s THR 6 Ca 0.45 -1.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.05 2k7k s THR 6 Cb 0.30 -4.89 -0.03 0.00 0.01 0.00 0.00 72.50 67.89 2k7k s THR 6 CO -0.22 -1.69 1.21 -0.76 -0.69 0.00 0.00 174.62 172.48 2k7k s LEU 7 N 3.78 4.27 0.37 4.42 2.01 -1.26 -2.37 118.68 129.91 2k7k s LEU 7 Ca 0.37 1.81 0.08 0.00 0.01 0.00 0.00 54.13 56.40 2k7k s LEU 7 Cb -0.04 -3.56 -0.07 0.00 0.01 0.00 0.00 46.19 42.53 2k7k s LEU 7 CO -0.08 -0.61 -0.03 0.27 1.01 0.00 0.00 176.35 176.91 2k7k s ILE 8 N 2.36 2.05 -0.04 -0.59 -4.36 -0.55 -1.31 121.20 118.75 2k7k s ILE 8 Ca 0.56 -2.09 -0.02 0.00 -0.26 0.00 0.00 60.65 58.84 2k7k s ILE 8 Cb -0.25 -2.82 0.02 0.00 1.25 0.00 0.00 42.46 40.67 2k7k s ILE 8 CO 0.21 -0.10 0.10 -0.94 0.24 0.00 0.00 174.94 174.45 2k7k s SER 9 N -3.65 -0.06 -0.07 4.36 1.04 -0.75 -2.26 113.70 112.32 2k7k s SER 9 Ca 0.34 0.19 -0.25 0.00 0.48 0.00 0.00 55.95 56.71 2k7k s SER 9 Cb 0.07 0.12 0.05 0.00 0.10 0.00 0.00 66.02 66.36 2k7k s SER 9 CO 0.17 -0.10 0.56 0.54 0.98 0.00 0.00 173.24 175.39 2k7k s VAL 10 N 0.70 0.02 0.54 5.02 0.11 -0.98 -2.58 120.40 123.22 2k7k s VAL 10 Ca -0.05 -0.14 0.04 0.00 -2.93 0.00 0.00 61.98 58.90 2k7k s VAL 10 Cb -0.07 -0.86 0.05 0.00 -1.53 0.00 0.00 36.38 33.97 2k7k s VAL 10 CO -0.03 -0.08 0.74 1.51 -3.33 0.00 0.00 175.10 173.92 2k7k s ASP 11 N -0.99 5.23 0.05 3.54 1.47 -0.85 -1.40 116.67 123.72 2k7k s ASP 11 Ca -0.10 -0.32 0.03 0.00 1.18 0.00 0.00 52.55 53.34 2k7k s ASP 11 Cb -0.02 -0.49 -0.02 0.00 -0.34 0.00 0.00 42.92 42.04 2k7k s ASP 11 CO 0.07 -1.16 -0.11 -0.31 0.68 0.00 0.00 175.17 174.34 2k7k s TYR 12 N -2.67 0.91 -0.08 2.11 1.51 -0.30 -3.55 117.35 115.29 2k7k s TYR 12 Ca 0.59 -0.46 -0.03 0.00 -1.01 0.00 0.00 57.07 56.16 2k7k s TYR 12 Cb -0.09 -0.53 0.04 0.00 -0.11 0.00 0.00 41.96 41.27 2k7k s TYR 12 CO 0.38 -0.02 0.06 -2.00 -1.11 0.00 0.00 175.55 172.86 2k7k s GLU 13 N -1.55 0.06 0.07 -0.62 -6.30 -0.19 -1.74 118.70 108.43 2k7k s GLU 13 Ca -0.06 0.22 0.01 0.00 -2.50 0.00 0.00 54.97 52.65 2k7k s GLU 13 Cb -0.10 -0.90 -0.04 0.00 0.00 0.00 0.00 34.13 33.10 2k7k s GLU 13 CO 0.01 -0.41 0.16 0.42 0.02 0.00 0.00 175.26 175.47 2k7k s ILE 14 N 2.13 5.08 0.00 -3.70 -1.09 -1.21 -2.26 121.20 120.15 2k7k s ILE 14 Ca 0.04 -0.54 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 2k7k s ILE 14 Cb -0.13 -3.47 -0.01 0.00 -1.58 0.00 0.00 42.46 37.27 2k7k s ILE 14 CO -0.05 0.13 -0.04 0.12 -1.23 0.00 0.00 174.94 173.87 2k7k s PHE 15 N -1.47 0.35 0.00 3.97 5.36 -1.14 -3.94 117.98 121.11 2k7k s PHE 15 Ca 0.33 -0.12 0.00 0.00 -0.96 0.00 0.00 56.93 56.18 2k7k s PHE 15 Cb -0.13 -0.23 0.00 0.00 -0.34 0.00 0.00 43.02 42.33 2k7k s PHE 15 CO 0.26 -0.02 0.00 0.41 -1.46 0.00 0.00 175.22 174.41 2k7k n GLY 16 N 2.79 0.38 2.31 13.12 0.00 -1.26 -0.37 105.19 122.17 2k7k n GLY 16 Ca -0.14 -1.09 -0.25 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.04 1.61 3.00 -1.09 -4.42 118.16 118.47 2k7k n LYS 17 Ca 0.00 -2.22 -0.12 0.00 -0.00 0.00 0.00 58.31 55.97 2k7k n LYS 17 Cb 0.00 -1.99 0.17 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 0.52 2.75 -0.08 3.15 0.24 -1.26 -3.79 118.33 119.86 2k7k n VAL 18 Ca 0.44 -2.78 -0.18 0.00 -2.04 0.00 0.00 64.34 59.79 2k7k n VAL 18 Cb 0.55 -0.49 -0.06 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 n GLN 19 N -1.08 0.37 -1.37 7.34 6.02 -1.26 -4.66 117.38 122.74 2k7k n GLN 19 Ca 0.41 0.16 -0.31 0.00 -0.01 0.00 0.00 57.00 57.25 2k7k n GLN 19 Cb 1.11 -1.12 0.05 0.00 1.02 0.00 0.00 30.24 31.29 2k7k n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k7k n GLY 20 N 1.92 5.26 3.15 1.08 0.00 -1.26 -4.91 105.19 110.43 2k7k n GLY 20 Ca -0.32 -2.04 -0.11 0.00 0.00 0.00 0.00 46.02 43.55 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 -4.05 0.09 -0.59 1.61 0.11 -1.26 -5.05 120.40 111.25 2k7k s VAL 21 Ca 0.54 -0.76 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 2k7k s VAL 21 Cb 0.42 -0.64 0.44 0.00 -1.53 0.00 0.00 36.38 35.07 2k7k s VAL 21 CO -0.11 -0.42 1.81 2.22 -3.33 0.00 0.00 175.10 175.27 2k7k n PHE 22 N 1.13 3.11 0.17 1.54 -1.74 -1.26 -4.69 117.46 115.71 2k7k n PHE 22 Ca -0.21 -2.78 0.18 0.00 -0.56 0.00 0.00 57.45 54.08 2k7k n PHE 22 Cb 0.57 -1.12 0.80 0.00 1.52 0.00 0.00 39.48 41.24 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 2.17 0.00 -0.88 2.97 -0.00 -1.91 -0.98 116.94 118.30 2k7k h PHE 23 Ca 0.54 0.00 0.21 0.00 -0.00 0.00 0.00 57.97 58.72 2k7k h PHE 23 Cb 0.90 0.00 -0.06 0.00 -0.00 0.00 0.00 35.95 36.79 2k7k h PHE 23 CO 1.25 0.00 0.59 0.07 -0.00 0.00 0.00 178.31 180.23 2k7k h ARG 24 N 0.00 0.33 -0.40 6.09 0.11 -1.92 0.25 114.38 118.83 2k7k h ARG 24 Ca 0.12 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.18 2k7k h ARG 24 Cb 0.64 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.63 2k7k h ARG 24 CO -0.00 0.22 0.26 0.87 0.10 0.00 0.00 179.97 181.42 2k7k h LYS 25 N 0.34 0.53 0.01 0.08 1.57 -1.58 -1.96 116.57 115.57 2k7k h LYS 25 Ca 0.45 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.98 2k7k h LYS 25 Cb 1.23 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 2k7k h LYS 25 CO -0.15 0.36 -0.95 0.45 -0.57 0.00 0.00 179.45 178.59 2k7k h HIS 26 N 0.55 0.47 -1.00 -1.35 3.86 -0.69 -3.25 115.15 113.74 2k7k h HIS 26 Ca 0.15 -0.27 0.15 0.00 -1.16 0.00 0.00 60.37 59.25 2k7k h HIS 26 Cb -0.06 -0.05 -0.09 0.00 1.06 0.00 0.00 27.41 28.27 2k7k h HIS 26 CO 0.00 1.10 0.62 1.15 0.86 0.00 0.00 177.93 181.66 2k7k h THR 27 N 0.17 0.82 -0.52 2.45 2.02 -0.96 0.97 112.91 117.86 2k7k h THR 27 Ca -0.07 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 2k7k h THR 27 Cb 1.59 -0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 2k7k h THR 27 CO 0.16 0.16 0.23 -0.61 0.37 0.00 0.00 175.52 175.82 2k7k h GLN 28 N 0.87 0.73 -0.07 6.66 4.15 -1.57 -2.52 115.11 123.35 2k7k h GLN 28 Ca 0.53 -0.09 -0.22 0.00 0.77 0.00 0.00 58.65 59.64 2k7k h GLN 28 Cb 0.70 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.25 2k7k h GLN 28 CO -0.31 0.58 -0.84 0.00 -1.93 0.00 0.00 178.83 176.33 2k7k h ALA 29 N 1.53 0.40 -0.11 3.38 0.00 -0.99 -3.09 119.26 120.37 2k7k h ALA 29 Ca 0.18 -0.64 0.03 0.00 0.00 0.00 0.00 54.91 54.48 2k7k h ALA 29 Cb 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2k7k h ALA 29 CO -0.02 0.75 0.17 0.93 0.00 0.00 0.00 179.25 181.07 2k7k h GLU 30 N 0.35 0.00 -0.29 0.00 3.07 -0.73 -2.01 114.58 114.97 2k7k h GLU 30 Ca -0.06 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.79 2k7k h GLU 30 Cb 1.46 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.35 2k7k h GLU 30 CO 0.16 0.00 0.15 0.78 -1.40 0.00 0.00 179.01 178.70 2k7k h GLY 31 N 0.00 0.44 1.41 -3.84 0.00 -1.44 -2.16 103.07 97.47 2k7k h GLY 31 Ca 0.05 -0.21 0.06 0.00 0.00 0.00 0.00 47.33 47.23 2k7k h GLY 31 CO -0.00 0.20 0.24 0.07 0.00 0.00 0.00 176.54 177.05 2k7k h LYS 32 N 0.35 0.00 0.14 4.80 2.10 -1.53 0.14 116.57 122.58 2k7k h LYS 32 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 2k7k h LYS 32 Cb 0.08 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.38 2k7k h LYS 32 CO -0.02 0.00 -0.37 -0.22 -2.00 0.00 0.00 179.45 176.84 2k7k h LYS 33 N 0.00 -0.55 -0.62 0.07 1.63 -1.47 -2.82 116.57 112.81 2k7k h LYS 33 Ca 0.09 0.04 -0.18 0.00 -0.85 0.00 0.00 60.65 59.75 2k7k h LYS 33 Cb 0.58 0.13 -0.11 0.00 -0.60 0.00 0.00 32.23 32.23 2k7k h LYS 33 CO -0.00 -0.37 0.19 1.28 -3.45 0.00 0.00 179.45 177.10 2k7k n LEU 34 N -4.59 5.50 -3.91 5.20 4.77 -1.04 -4.93 117.00 118.00 2k7k n LEU 34 Ca -0.07 -3.27 -0.29 0.00 -0.03 0.00 0.00 56.01 52.36 2k7k n LEU 34 Cb 0.30 -0.70 0.02 0.00 -2.33 0.00 0.00 43.42 40.71 2k7k n LEU 34 CO 0.13 0.85 0.02 0.61 -1.33 0.00 0.00 177.39 177.67 2k7k n GLY 35 N -0.35 -0.42 3.90 -0.72 0.00 -0.24 -4.97 105.19 102.38 2k7k n GLY 35 Ca 0.37 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 46.35 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 -7.12 3.79 0.00 0.99 1.43 0.34 -4.97 118.68 113.13 2k7k s LEU 36 Ca 0.47 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 2k7k s LEU 36 Cb -0.24 -2.44 -0.00 0.00 0.03 0.00 0.00 46.19 43.54 2k7k s LEU 36 CO 0.84 -0.31 0.03 1.33 0.23 0.00 0.00 176.35 178.47 2k7k n VAL 37 N -1.43 0.00 0.00 -1.59 0.24 -1.16 -4.39 118.33 110.01 2k7k n VAL 37 Ca -0.03 -1.05 0.00 0.00 -2.04 0.00 0.00 64.34 61.23 2k7k n VAL 37 Cb 0.59 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 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 1.75 1.43 3.27 7.63 0.00 -1.24 -2.54 105.19 115.50 2k7k n GLY 38 Ca -0.06 -2.01 -0.15 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.22 1.38 -0.05 1.61 -2.14 -0.92 -1.92 118.94 115.67 2k7k s TRP 39 Ca 0.00 -0.71 0.06 0.00 2.66 0.00 0.00 56.10 58.11 2k7k s TRP 39 Cb 0.00 -0.68 -0.01 0.00 -3.10 0.00 0.00 33.47 29.68 2k7k s TRP 39 CO 0.00 0.15 -0.24 0.08 -2.66 0.00 0.00 176.95 174.28 2k7k s VAL 40 N -3.24 1.99 0.04 -0.66 1.01 -1.17 -1.65 120.40 116.73 2k7k s VAL 40 Ca 0.18 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.16 2k7k s VAL 40 Cb 0.02 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 2k7k s VAL 40 CO 0.02 0.55 -0.10 -1.58 0.00 0.00 0.00 175.10 174.00 2k7k s GLN 41 N -0.20 0.63 0.47 2.72 0.74 0.52 -0.91 119.66 123.62 2k7k s GLN 41 Ca -0.02 -0.72 0.08 0.00 0.05 0.00 0.00 55.36 54.74 2k7k s GLN 41 Cb -0.13 -0.50 0.01 0.00 1.10 0.00 0.00 33.01 33.49 2k7k s GLN 41 CO 0.03 0.11 0.48 -0.80 -0.55 0.00 0.00 175.29 174.55 2k7k s ASN 42 N -1.37 5.06 0.27 6.67 0.01 -1.26 -0.41 114.94 123.92 2k7k s ASN 42 Ca -0.05 -0.81 0.02 0.00 -0.71 0.00 0.00 52.86 51.31 2k7k s ASN 42 Cb -0.09 -0.25 -0.03 0.00 0.41 0.00 0.00 41.25 41.29 2k7k s ASN 42 CO 0.01 -0.87 0.23 0.42 -1.51 0.00 0.00 177.10 175.38 2k7k s THR 43 N -2.54 0.00 -0.11 1.60 -4.23 -1.09 -4.80 115.64 104.47 2k7k s THR 43 Ca 0.49 -1.96 0.15 0.00 -1.18 0.00 0.00 61.69 59.19 2k7k s THR 43 Cb -0.04 -2.50 -0.23 0.00 1.34 0.00 0.00 72.50 71.07 2k7k s THR 43 CO 0.29 0.00 0.18 -0.67 -0.54 0.00 0.00 174.62 173.88 2k7k n ASP 44 N -0.94 1.05 -0.27 3.99 -0.08 -1.26 -4.45 116.55 114.59 2k7k n ASP 44 Ca 0.04 0.00 0.17 0.00 -1.51 0.00 0.00 54.79 53.50 2k7k n ASP 44 Cb 0.64 1.24 0.46 0.00 2.34 0.00 0.00 41.12 45.80 2k7k n ASP 44 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2k7k h ARG 45 N 0.00 0.50 0.00 -0.67 2.43 -2.06 -3.44 114.38 111.13 2k7k h ARG 45 Ca -0.27 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2k7k h ARG 45 Cb 1.53 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 2k7k h ARG 45 CO 0.01 0.33 0.00 0.41 -1.51 0.00 0.00 179.97 179.21 2k7k n GLY 46 N -1.47 0.76 3.64 2.80 0.00 -1.26 -5.16 105.19 104.51 2k7k n GLY 46 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.06 0.00 -0.03 2.61 -4.23 -1.26 -4.81 115.64 106.86 2k7k s THR 47 Ca 0.00 -1.31 0.02 0.00 -1.18 0.00 0.00 61.69 59.22 2k7k s THR 47 Cb 0.00 -2.83 0.01 0.00 1.34 0.00 0.00 72.50 71.02 2k7k s THR 47 CO 0.00 0.00 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.34 2k7k s VAL 48 N -2.53 0.52 -0.09 2.29 1.01 -1.25 -2.67 120.40 117.67 2k7k s VAL 48 Ca 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 2k7k s VAL 48 Cb -0.03 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 2k7k s VAL 48 CO 0.17 0.19 0.04 -1.10 0.00 0.00 0.00 175.10 174.40 2k7k s GLN 49 N 0.46 3.10 -0.28 2.72 -1.52 0.46 -3.32 119.66 121.28 2k7k s GLN 49 Ca -0.06 -0.34 -0.04 0.00 -1.95 0.00 0.00 55.36 52.97 2k7k s GLN 49 Cb -0.10 -2.90 0.10 0.00 -0.22 0.00 0.00 33.01 29.89 2k7k s GLN 49 CO 0.00 0.72 0.14 0.20 -0.25 0.00 0.00 175.29 176.10 2k7k s GLY 50 N -0.99 0.44 -0.22 3.09 0.00 -0.71 -0.35 107.32 108.57 2k7k s GLY 50 Ca 0.14 -0.96 -0.29 0.00 0.00 0.00 0.00 44.72 43.62 2k7k s GLY 50 CO 0.04 2.07 1.28 1.62 0.00 0.00 0.00 173.10 178.11 2k7k s GLN 51 N 2.12 4.11 0.08 2.90 2.00 -0.66 -1.15 119.66 129.07 2k7k s GLN 51 Ca 0.08 1.51 0.06 0.00 -2.00 0.00 0.00 55.36 55.01 2k7k s GLN 51 Cb -0.16 -3.81 -0.04 0.00 0.80 0.00 0.00 33.01 29.81 2k7k s GLN 51 CO -0.34 -0.86 -0.08 -1.17 -0.50 0.00 0.00 175.29 172.34 2k7k s LEU 52 N 3.84 3.14 -0.02 3.68 2.96 -0.50 -2.17 118.68 129.60 2k7k s LEU 52 Ca 0.55 -0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 54.16 2k7k s LEU 52 Cb -0.20 -1.89 0.02 0.00 0.50 0.00 0.00 46.19 44.62 2k7k s LEU 52 CO 0.18 0.20 0.05 -1.10 -1.32 0.00 0.00 176.35 174.36 2k7k s GLN 53 N -2.04 0.01 0.00 1.98 -0.21 -1.05 -2.32 119.66 116.02 2k7k s GLN 53 Ca 0.21 0.17 0.00 0.00 0.02 0.00 0.00 55.36 55.76 2k7k s GLN 53 Cb -0.11 -0.14 0.00 0.00 1.00 0.00 0.00 33.01 33.76 2k7k s GLN 53 CO 0.13 -0.11 0.00 0.41 -2.12 0.00 0.00 175.29 173.60 2k7k n GLY 54 N 3.79 0.51 3.77 3.09 0.00 -0.96 -2.98 105.19 112.42 2k7k n GLY 54 Ca -0.22 -1.06 -0.39 0.00 0.00 0.00 0.00 46.02 44.36 2k7k n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k7k s PRO 55 N -2.00 4.07 0.58 1.61 0.04 -1.26 -1.49 135.00 136.55 2k7k s PRO 55 Ca 0.00 1.90 0.28 0.00 0.04 0.00 0.00 61.00 63.22 2k7k s PRO 55 Cb 0.00 -2.72 1.54 0.00 0.04 0.00 0.00 34.50 33.37 2k7k s PRO 55 CO 0.00 -0.33 2.01 0.97 0.04 0.00 0.00 177.00 179.70 2k7k h ILE 56 N 2.39 0.49 0.00 0.56 2.10 -1.81 0.33 117.51 121.56 2k7k h ILE 56 Ca -0.49 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.42 2k7k h ILE 56 Cb 1.24 0.75 -0.01 0.00 -1.09 0.00 0.00 36.82 37.71 2k7k h ILE 56 CO 0.63 0.00 -0.17 0.28 -1.08 0.00 0.00 178.15 177.80 2k7k h SER 57 N 0.00 0.00 0.00 2.19 0.02 -1.91 -2.61 113.55 111.24 2k7k h SER 57 Ca 0.16 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.79 2k7k h SER 57 Cb 0.81 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.29 2k7k h SER 57 CO -0.00 0.17 -2.20 0.29 -1.14 0.00 0.00 176.83 173.96 2k7k n LYS 58 N -3.68 0.56 0.23 3.45 4.01 0.83 -4.41 118.16 119.14 2k7k n LYS 58 Ca -0.01 0.12 0.17 0.00 -0.51 0.00 0.00 58.31 58.08 2k7k n LYS 58 Cb 0.29 -1.42 0.86 0.00 -0.51 0.00 0.00 35.03 34.25 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 0.39 0.00 -0.18 2.07 -0.65 0.14 116.25 118.03 2k7k h VAL 59 Ca -0.47 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 2k7k h VAL 59 Cb 1.74 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 2k7k h VAL 59 CO -0.07 0.00 -0.19 -0.09 0.02 0.00 0.00 177.57 177.25 2k7k h ARG 60 N 0.00 0.00 0.00 1.57 1.12 -1.67 -1.72 114.38 113.68 2k7k h ARG 60 Ca 0.07 0.00 -0.12 0.00 -1.11 0.00 0.00 59.98 58.82 2k7k h ARG 60 Cb 0.46 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.40 2k7k h ARG 60 CO -0.00 0.19 -0.99 0.72 -3.11 0.00 0.00 179.97 176.77 2k7k n HIS 61 N -3.61 0.80 -0.26 2.20 8.25 0.43 -3.82 115.22 119.22 2k7k n HIS 61 Ca -0.01 0.35 0.17 0.00 -0.26 0.00 0.00 57.72 57.97 2k7k n HIS 61 Cb 0.32 -0.88 0.47 0.00 1.12 0.00 0.00 29.99 31.01 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 -1.00 0.48 -0.23 -0.41 1.85 -1.49 0.25 114.93 114.38 2k7k h MET 62 Ca -0.18 -0.03 -0.08 0.00 -0.61 0.00 0.00 59.70 58.80 2k7k h MET 62 Cb 0.93 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.84 2k7k h MET 62 CO -0.11 0.32 -0.21 -0.56 -0.40 0.00 0.00 176.91 175.94 2k7k h GLN 63 N 0.49 0.42 -0.84 0.39 3.07 -1.50 -1.66 115.11 115.48 2k7k h GLN 63 Ca 0.49 -0.14 -0.33 0.00 0.09 0.00 0.00 58.65 58.76 2k7k h GLN 63 Cb 1.09 -0.03 -0.19 0.00 0.08 0.00 0.00 27.48 28.42 2k7k h GLN 63 CO -0.21 0.61 0.41 -0.85 0.09 0.00 0.00 178.83 178.88 2k7k n GLU 64 N -4.16 3.26 0.00 0.06 0.28 0.79 -3.90 120.64 116.97 2k7k n GLU 64 Ca -0.00 -3.07 0.00 0.00 -0.16 0.00 0.00 57.16 53.92 2k7k n GLU 64 Cb 0.37 -2.22 0.00 0.00 1.43 0.00 0.00 31.44 31.02 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 -0.49 0.00 0.18 -1.84 -0.00 -0.70 -4.79 117.44 109.81 2k7k n TRP 65 Ca 0.48 0.00 0.07 0.00 -0.00 0.00 0.00 57.50 58.05 2k7k n TRP 65 Cb 1.50 0.06 0.19 0.00 -0.00 0.00 0.00 31.31 33.06 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 -1.76 5.87 3.38 -1.46 0.24 115.31 121.57 2k7k h LEU 66 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2k7k h LEU 66 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2k7k h LEU 66 CO 0.00 0.30 -0.14 1.05 0.09 0.00 0.00 178.44 179.74 2k7k h GLU 67 N 0.00 0.00 0.00 1.13 4.11 -1.79 -3.31 114.58 114.72 2k7k h GLU 67 Ca -0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.28 2k7k h GLU 67 Cb 1.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 2k7k h GLU 67 CO 0.04 0.14 -1.52 -2.37 0.07 0.00 0.00 179.01 175.37 2k7k n THR 68 N -3.60 0.52 -4.00 -1.06 5.66 -1.18 -4.85 114.28 105.77 2k7k n THR 68 Ca -0.01 -0.18 -0.21 0.00 -3.05 0.00 0.00 64.05 60.59 2k7k n THR 68 Cb 0.27 -1.06 -0.03 0.00 -1.55 0.00 0.00 70.33 67.96 2k7k n THR 68 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2k7k s ARG 69 N -2.18 3.24 0.00 1.09 1.81 0.82 -4.89 118.95 118.85 2k7k s ARG 69 Ca -0.13 -0.88 0.00 0.00 -1.72 0.00 0.00 55.73 53.01 2k7k s ARG 69 Cb 0.04 -2.77 0.00 0.00 -0.45 0.00 0.00 34.95 31.77 2k7k s ARG 69 CO 0.20 0.40 0.00 0.41 -0.68 0.00 0.00 175.30 175.63 2k7k n GLY 70 N -1.34 0.98 3.60 -3.53 0.00 -1.26 -4.06 105.19 99.57 2k7k n GLY 70 Ca -0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.13 0.01 1.61 0.01 -1.26 -4.71 113.70 109.22 2k7k s SER 71 Ca 0.00 -0.01 -0.23 0.00 1.31 0.00 0.00 55.95 57.02 2k7k s SER 71 Cb 0.00 0.15 -0.17 0.00 0.21 0.00 0.00 66.02 66.20 2k7k s SER 71 CO 0.00 -0.24 1.31 1.55 0.41 0.00 0.00 173.24 176.27 2k7k h PRO 72 N 2.00 0.17 -1.27 12.44 0.13 -2.00 -3.22 132.00 140.25 2k7k h PRO 72 Ca -0.10 -0.09 -0.51 0.00 -0.87 0.00 0.00 66.00 64.43 2k7k h PRO 72 Cb 1.17 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.08 2k7k h PRO 72 CO 0.23 0.61 0.66 1.63 -0.23 0.00 0.00 178.00 180.90 2k7k n LYS 73 N -4.71 2.27 -2.91 0.86 5.02 -1.26 -4.48 118.16 112.95 2k7k n LYS 73 Ca -0.07 -2.47 -0.19 0.00 -2.02 0.00 0.00 58.31 53.55 2k7k n LYS 73 Cb 0.30 -1.97 -0.01 0.00 -0.02 0.00 0.00 35.03 33.33 2k7k n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2k7k n SER 74 N -0.30 2.41 -4.55 4.39 2.88 -1.22 -4.50 113.62 112.73 2k7k n SER 74 Ca 0.47 -3.21 -0.51 0.00 -1.33 0.00 0.00 58.87 54.30 2k7k n SER 74 Cb 0.62 -0.56 -0.06 0.00 -0.75 0.00 0.00 64.21 63.45 2k7k n SER 74 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2k7k n HIS 75 N -0.03 1.86 -3.05 0.66 8.25 -1.25 -4.75 115.22 116.91 2k7k n HIS 75 Ca 0.25 0.23 -0.44 0.00 -0.26 0.00 0.00 57.72 57.49 2k7k n HIS 75 Cb 0.63 -2.56 -0.01 0.00 1.12 0.00 0.00 29.99 29.17 2k7k n HIS 75 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2k7k s ILE 76 N 6.05 5.16 0.33 1.59 1.01 -1.26 -2.67 121.20 131.41 2k7k s ILE 76 Ca 1.03 -2.40 0.21 0.00 0.00 0.00 0.00 60.65 59.50 2k7k s ILE 76 Cb -0.82 -4.77 0.21 0.00 0.01 0.00 0.00 42.46 37.09 2k7k s ILE 76 CO 0.52 -1.44 1.92 0.44 0.00 0.00 0.00 174.94 176.38 2k7k h ASP 77 N 7.69 0.00 -3.44 3.58 3.32 -1.04 -3.44 116.42 123.09 2k7k h ASP 77 Ca 0.22 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 2k7k h ASP 77 Cb 0.94 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.28 2k7k h ASP 77 CO 1.10 0.24 0.02 -0.75 -1.72 0.00 0.00 179.24 178.13 2k7k s LYS 78 N -4.05 0.72 -0.35 3.56 2.20 -1.24 -5.00 119.74 115.59 2k7k s LYS 78 Ca -0.02 1.08 0.02 0.00 -0.36 0.00 0.00 55.97 56.69 2k7k s LYS 78 Cb 0.13 0.23 0.10 0.00 -1.51 0.00 0.00 37.83 36.78 2k7k s LYS 78 CO 0.65 -0.13 0.07 0.00 -0.36 0.00 0.00 175.35 175.57 2k7k s ALA 79 N 1.07 2.92 0.45 3.13 0.00 -1.26 -2.88 121.76 125.20 2k7k s ALA 79 Ca -0.06 -2.46 0.06 0.00 0.00 0.00 0.00 51.96 49.51 2k7k s ALA 79 Cb -0.05 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 21.02 2k7k s ALA 79 CO -0.11 -1.66 0.25 1.21 0.00 0.00 0.00 175.76 175.45 2k7k s ASN 80 N 1.10 4.54 0.29 0.00 3.84 -0.96 -4.97 114.94 118.79 2k7k s ASN 80 Ca 0.08 -1.12 0.00 0.00 0.21 0.00 0.00 52.86 52.04 2k7k s ASN 80 Cb -0.20 -0.19 -0.00 0.00 -0.55 0.00 0.00 41.25 40.31 2k7k s ASN 80 CO -0.07 -0.72 0.37 2.22 -2.79 0.00 0.00 177.10 176.11 2k7k n PHE 81 N -1.41 -1.14 -3.76 0.43 1.16 -1.26 -1.02 117.46 110.45 2k7k n PHE 81 Ca -0.02 -2.06 0.00 0.00 -1.87 0.00 0.00 57.45 53.50 2k7k n PHE 81 Cb 0.64 0.41 0.00 0.00 -1.61 0.00 0.00 39.48 38.93 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 -2.85 -0.06 -1.45 5.98 3.84 -1.23 -4.97 114.94 114.20 2k7k s ASN 82 Ca 0.27 -0.29 -0.11 0.00 0.21 0.00 0.00 52.86 52.94 2k7k s ASN 82 Cb -0.00 0.27 0.05 0.00 -0.55 0.00 0.00 41.25 41.02 2k7k s ASN 82 CO 0.19 -0.52 1.03 0.59 -2.79 0.00 0.00 177.10 175.59 2k7k n ASN 83 N -0.73 -4.88 -4.63 -4.21 3.02 -1.26 -2.01 115.26 100.55 2k7k n ASN 83 Ca -0.05 -0.70 -0.42 0.00 -0.03 0.00 0.00 54.58 53.38 2k7k n ASN 83 Cb 0.61 -4.30 -0.05 0.00 -0.61 0.00 0.00 39.78 35.43 2k7k n ASN 83 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2k7k s GLU 84 N -6.43 4.13 0.25 3.52 2.12 -1.26 -4.23 118.70 116.80 2k7k s GLU 84 Ca 0.56 0.80 -0.22 0.00 0.36 0.00 0.00 54.97 56.48 2k7k s GLU 84 Cb -0.27 -3.66 0.03 0.00 0.26 0.00 0.00 34.13 30.49 2k7k s GLU 84 CO 0.79 -0.53 0.74 -1.59 -0.54 0.00 0.00 175.26 174.14 2k7k s LYS 85 N 2.81 1.67 -0.01 4.30 -2.85 -1.06 -5.03 119.74 119.57 2k7k s LYS 85 Ca 0.33 -0.90 -0.02 0.00 -1.00 0.00 0.00 55.97 54.38 2k7k s LYS 85 Cb -0.15 0.58 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 2k7k s LYS 85 CO 0.09 -0.76 0.14 0.14 0.10 0.00 0.00 175.35 175.06 2k7k s VAL 86 N -3.82 5.16 0.30 1.79 -7.23 -1.26 -1.81 120.40 113.54 2k7k s VAL 86 Ca 0.10 -0.26 0.03 0.00 -1.81 0.00 0.00 61.98 60.05 2k7k s VAL 86 Cb -0.05 -3.39 -0.04 0.00 0.56 0.00 0.00 36.38 33.46 2k7k s VAL 86 CO 0.05 0.34 0.14 0.27 -0.31 0.00 0.00 175.10 175.59 2k7k s ILE 87 N -1.27 0.41 0.04 -0.62 -0.00 -0.42 -4.97 121.20 114.36 2k7k s ILE 87 Ca 0.25 -2.00 -0.32 0.00 -0.00 0.00 0.00 60.65 58.58 2k7k s ILE 87 Cb -0.12 -2.53 -0.18 0.00 -0.00 0.00 0.00 42.46 39.63 2k7k s ILE 87 CO 0.17 0.00 1.36 -0.07 -0.00 0.00 0.00 174.94 176.40 2k7k h LEU 88 N 2.21 -0.94 0.00 0.37 -0.00 -1.98 -3.37 115.31 111.60 2k7k h LEU 88 Ca -0.35 0.02 -0.13 0.00 -0.00 0.00 0.00 57.88 57.42 2k7k h LEU 88 Cb 1.25 0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 42.13 2k7k h LEU 88 CO 0.54 -0.60 0.02 0.29 -0.00 0.00 0.00 178.44 178.69 2k7k n LYS 89 N -5.52 0.65 -1.20 1.13 5.02 -1.26 -4.58 118.16 112.40 2k7k n LYS 89 Ca -0.14 -1.89 -0.32 0.00 -2.02 0.00 0.00 58.31 53.93 2k7k n LYS 89 Cb 0.44 2.01 0.11 0.00 -0.02 0.00 0.00 35.03 37.57 2k7k n LYS 89 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k7k s LEU 90 N 0.00 3.10 -0.08 -0.35 1.43 -1.26 -4.98 118.68 116.55 2k7k s LEU 90 Ca 0.18 2.11 0.11 0.00 -1.03 0.00 0.00 54.13 55.49 2k7k s LEU 90 Cb -0.02 -4.56 -0.15 0.00 0.03 0.00 0.00 46.19 41.49 2k7k s LEU 90 CO 0.13 -2.38 0.12 -0.67 0.23 0.00 0.00 176.35 173.77 2k7k n ASP 91 N -3.38 2.29 -4.21 2.29 2.03 -1.26 -4.97 116.55 109.33 2k7k n ASP 91 Ca 0.11 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.11 2k7k n ASP 91 Cb 0.52 1.04 -0.17 0.00 -0.72 0.00 0.00 41.12 41.79 2k7k n ASP 91 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2k7k s TYR 92 N -2.46 2.38 -0.37 -0.67 2.02 -1.26 -5.01 117.35 111.98 2k7k s TYR 92 Ca -0.05 -0.89 0.06 0.00 -0.37 0.00 0.00 57.07 55.82 2k7k s TYR 92 Cb 0.05 -1.59 0.58 0.00 -0.40 0.00 0.00 41.96 40.60 2k7k s TYR 92 CO 0.46 -0.34 1.66 0.45 -1.57 0.00 0.00 175.55 176.21 2k7k n SER 93 N 3.38 4.03 -3.59 2.29 2.88 -1.26 -4.82 113.62 116.53 2k7k n SER 93 Ca -0.19 -3.11 -0.05 0.00 -1.33 0.00 0.00 58.87 54.20 2k7k n SER 93 Cb 0.53 -0.73 -0.02 0.00 -0.75 0.00 0.00 64.21 63.24 2k7k n SER 93 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2k7k s ASP 94 N -0.77 -0.19 0.20 -3.46 1.47 -1.26 -5.10 116.67 107.57 2k7k s ASP 94 Ca 0.45 -0.06 0.09 0.00 1.18 0.00 0.00 52.55 54.21 2k7k s ASP 94 Cb 0.37 0.25 -0.04 0.00 -0.34 0.00 0.00 42.92 43.15 2k7k s ASP 94 CO 0.10 -0.42 -0.08 0.72 0.68 0.00 0.00 175.17 176.17 2k7k s PHE 95 N -2.71 2.63 0.36 2.11 -0.12 -1.26 -3.66 117.98 115.33 2k7k s PHE 95 Ca 0.09 -0.23 -0.17 0.00 -0.05 0.00 0.00 56.93 56.57 2k7k s PHE 95 Cb -0.00 -1.25 0.05 0.00 -0.63 0.00 0.00 43.02 41.18 2k7k s PHE 95 CO -0.05 0.55 0.78 1.14 -0.05 0.00 0.00 175.22 177.59 2k7k s GLN 96 N -3.05 2.11 -0.27 1.99 -2.07 -0.81 -4.95 119.66 112.62 2k7k s GLN 96 Ca 0.27 -1.32 0.02 0.00 -1.82 0.00 0.00 55.36 52.51 2k7k s GLN 96 Cb -0.08 0.62 0.07 0.00 -1.09 0.00 0.00 33.01 32.53 2k7k s GLN 96 CO 0.16 -0.98 -0.04 0.42 -1.32 0.00 0.00 175.29 173.53 2k7k s ILE 97 N -2.68 1.80 0.11 3.63 -1.09 -1.26 -3.02 121.20 118.69 2k7k s ILE 97 Ca 0.14 -1.57 -0.30 0.00 -2.23 0.00 0.00 60.65 56.70 2k7k s ILE 97 Cb -0.05 -2.09 -0.06 0.00 -1.58 0.00 0.00 42.46 38.68 2k7k s ILE 97 CO 0.10 -0.22 1.03 -0.69 -1.23 0.00 0.00 174.94 173.93 2k7k s VAL 98 N 1.24 4.32 0.00 2.92 1.01 -0.09 -4.90 120.40 124.89 2k7k s VAL 98 Ca -0.02 1.88 0.00 0.00 0.00 0.00 0.00 61.98 63.84 2k7k s VAL 98 Cb -0.19 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 31.99 2k7k s VAL 98 CO -0.08 0.27 0.41 2.29 0.00 0.00 0.00 175.10 177.99