#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 0.84 -3.78 4.61 0.00 -1.26 -5.14 120.51 115.78 2k7k n ALA 2 Ca 0.00 -1.78 -0.13 0.00 0.00 0.00 0.00 53.44 51.52 2k7k n ALA 2 Cb 0.00 0.44 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 2k7k n ALA 2 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2k7k n GLU 3 N -2.22 0.31 0.00 0.00 -0.00 -1.26 -5.04 120.64 112.44 2k7k n GLU 3 Ca 0.14 -2.07 0.00 0.00 -0.00 0.00 0.00 57.16 55.23 2k7k n GLU 3 Cb 0.52 1.77 0.00 0.00 -0.00 0.00 0.00 31.44 33.72 2k7k n GLU 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k7k n GLY 4 N -0.40 -1.02 2.72 -1.84 0.00 -1.26 -5.01 105.19 98.38 2k7k n GLY 4 Ca 0.04 -2.24 -0.26 0.00 0.00 0.00 0.00 46.02 43.56 2k7k n GLY 4 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2k7k s ASN 5 N -1.06 2.43 -0.23 1.61 3.84 -1.26 -4.80 114.94 115.48 2k7k s ASN 5 Ca 0.00 -0.58 -0.07 0.00 0.21 0.00 0.00 52.86 52.42 2k7k s ASN 5 Cb 0.00 -0.47 0.11 0.00 -0.55 0.00 0.00 41.25 40.33 2k7k s ASN 5 CO 0.00 -0.29 0.48 -0.89 -2.79 0.00 0.00 177.10 173.61 2k7k s THR 6 N 1.95 -0.74 -0.22 -5.21 2.01 -1.26 -5.06 115.64 107.11 2k7k s THR 6 Ca 0.01 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.82 2k7k s THR 6 Cb -0.16 -0.77 -0.01 0.00 0.01 0.00 0.00 72.50 71.57 2k7k s THR 6 CO -0.07 0.03 1.29 -0.22 -0.69 0.00 0.00 174.62 174.96 2k7k s LEU 7 N 2.69 4.05 0.00 4.42 1.98 -1.26 -1.98 118.68 128.57 2k7k s LEU 7 Ca -0.00 1.50 0.04 0.00 -2.89 0.00 0.00 54.13 52.77 2k7k s LEU 7 Cb -0.12 -3.54 -0.01 0.00 0.66 0.00 0.00 46.19 43.17 2k7k s LEU 7 CO -0.15 -0.91 0.13 2.30 -1.89 0.00 0.00 176.35 175.84 2k7k n ILE 8 N 5.75 0.00 -3.62 6.68 -5.35 0.81 -3.43 119.36 120.20 2k7k n ILE 8 Ca 0.14 -2.11 -0.13 0.00 -0.27 0.00 0.00 62.75 60.39 2k7k n ILE 8 Cb 0.46 0.76 -0.05 0.00 -1.74 0.00 0.00 39.64 39.06 2k7k n ILE 8 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2k7k s SER 9 N -3.22 -0.35 -0.16 7.28 0.15 -0.95 -0.39 113.70 116.07 2k7k s SER 9 Ca 0.19 0.02 -0.30 0.00 0.70 0.00 0.00 55.95 56.55 2k7k s SER 9 Cb 0.01 0.46 0.13 0.00 -1.71 0.00 0.00 66.02 64.91 2k7k s SER 9 CO 0.13 -0.73 1.01 0.54 1.20 0.00 0.00 173.24 175.39 2k7k s VAL 10 N -2.72 0.00 0.35 4.45 0.11 -0.40 -2.79 120.40 119.40 2k7k s VAL 10 Ca -0.04 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.02 2k7k s VAL 10 Cb -0.00 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.92 2k7k s VAL 10 CO -0.04 0.00 0.49 -0.90 -3.33 0.00 0.00 175.10 171.32 2k7k n ASP 11 N 0.68 0.70 -3.49 3.54 5.68 -1.26 -1.39 116.55 121.01 2k7k n ASP 11 Ca -0.10 -1.58 -0.15 0.00 -0.50 0.00 0.00 54.79 52.46 2k7k n ASP 11 Cb 0.58 -0.31 -0.05 0.00 -1.14 0.00 0.00 41.12 40.20 2k7k n ASP 11 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 2k7k s TYR 12 N -1.35 -0.59 0.04 2.11 -0.85 -1.25 -3.88 117.35 111.58 2k7k s TYR 12 Ca 0.33 0.82 0.02 0.00 -0.52 0.00 0.00 57.07 57.72 2k7k s TYR 12 Cb -0.02 0.46 -0.02 0.00 0.38 0.00 0.00 41.96 42.76 2k7k s TYR 12 CO 0.22 -0.66 -0.08 -2.00 -1.52 0.00 0.00 175.55 171.50 2k7k s GLU 13 N -2.03 0.55 0.02 -3.49 2.12 -0.95 -2.75 118.70 112.18 2k7k s GLU 13 Ca -0.06 -0.78 0.02 0.00 0.36 0.00 0.00 54.97 54.51 2k7k s GLU 13 Cb -0.00 -0.33 -0.01 0.00 0.26 0.00 0.00 34.13 34.04 2k7k s GLU 13 CO 0.02 0.06 -0.08 0.42 -0.54 0.00 0.00 175.26 175.14 2k7k s ILE 14 N -1.39 0.57 0.06 -3.70 -1.09 -1.26 -3.44 121.20 110.96 2k7k s ILE 14 Ca -0.09 -0.62 0.01 0.00 -2.23 0.00 0.00 60.65 57.72 2k7k s ILE 14 Cb -0.10 -0.54 -0.04 0.00 -1.58 0.00 0.00 42.46 40.20 2k7k s ILE 14 CO 0.00 -0.05 -0.05 0.12 -1.23 0.00 0.00 174.94 173.73 2k7k s PHE 15 N -0.63 0.66 0.00 3.97 5.36 -1.13 -3.04 117.98 123.16 2k7k s PHE 15 Ca -0.02 -0.88 0.00 0.00 -0.96 0.00 0.00 56.93 55.07 2k7k s PHE 15 Cb -0.06 -0.42 0.00 0.00 -0.34 0.00 0.00 43.02 42.21 2k7k s PHE 15 CO 0.00 -0.23 0.00 0.41 -1.46 0.00 0.00 175.22 173.94 2k7k n GLY 16 N 0.37 0.36 2.09 13.12 0.00 -1.26 -0.13 105.19 119.75 2k7k n GLY 16 Ca -0.15 -1.20 -0.25 0.00 0.00 0.00 0.00 46.02 44.42 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 2.21 -1.22 1.61 3.00 -1.25 -4.58 118.16 117.92 2k7k n LYS 17 Ca 0.00 -2.37 -0.29 0.00 -0.00 0.00 0.00 58.31 55.66 2k7k n LYS 17 Cb 0.00 -1.93 0.06 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 -0.27 3.33 -4.16 3.15 0.24 -1.26 -3.81 118.33 115.56 2k7k n VAL 18 Ca 0.45 -2.58 -0.30 0.00 -2.04 0.00 0.00 64.34 59.87 2k7k n VAL 18 Cb 0.65 -1.24 -0.16 0.00 -1.47 0.00 0.00 33.84 31.61 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 -3.07 2.37 0.00 7.34 -2.07 -1.26 -4.68 119.66 118.29 2k7k s GLN 19 Ca 0.52 -0.59 0.00 0.00 -1.82 0.00 0.00 55.36 53.47 2k7k s GLN 19 Cb 0.41 -2.11 0.00 0.00 -1.09 0.00 0.00 33.01 30.22 2k7k s GLN 19 CO -0.04 -0.19 0.00 0.41 -1.32 0.00 0.00 175.29 174.15 2k7k n GLY 20 N 4.60 0.67 2.93 2.60 0.00 -1.26 -5.06 105.19 109.66 2k7k n GLY 20 Ca -0.18 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.81 0.00 -2.68 1.61 0.24 -1.26 -5.08 118.33 108.34 2k7k n VAL 21 Ca 0.00 -2.17 -0.42 0.00 -2.04 0.00 0.00 64.34 59.71 2k7k n VAL 21 Cb 0.11 0.98 -0.03 0.00 -1.47 0.00 0.00 33.84 33.44 2k7k n VAL 21 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2k7k s PHE 22 N -3.12 2.75 -0.22 6.34 0.08 -1.26 -4.74 117.98 117.80 2k7k s PHE 22 Ca 0.30 -1.10 0.13 0.00 0.12 0.00 0.00 56.93 56.38 2k7k s PHE 22 Cb 0.01 -4.57 0.44 0.00 -0.57 0.00 0.00 43.02 38.33 2k7k s PHE 22 CO 0.21 -1.79 1.32 1.97 -0.10 0.00 0.00 175.22 176.84 2k7k n PHE 23 N 8.09 0.50 0.03 0.36 1.16 -1.26 -4.48 117.46 121.86 2k7k n PHE 23 Ca 0.32 -1.36 0.00 0.00 -1.87 0.00 0.00 57.45 54.54 2k7k n PHE 23 Cb 0.50 -0.32 0.00 0.00 -1.61 0.00 0.00 39.48 38.04 2k7k n PHE 23 CO 0.00 0.00 0.00 -2.13 -1.87 0.00 0.00 176.76 172.76 2k7k n ARG 24 N -1.10 0.00 0.04 3.97 0.63 -1.26 -4.55 116.66 114.38 2k7k n ARG 24 Ca 0.24 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.18 2k7k n ARG 24 Cb 0.83 -0.18 0.34 0.00 0.45 0.00 0.00 32.46 33.90 2k7k n ARG 24 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2k7k h LYS 25 N 0.00 0.44 0.00 -0.14 3.64 -1.97 -0.46 116.57 118.08 2k7k h LYS 25 Ca 0.00 -0.09 -0.18 0.00 -1.27 0.00 0.00 60.65 59.11 2k7k h LYS 25 Cb 0.25 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 2k7k h LYS 25 CO 0.00 0.48 -1.04 0.45 -2.27 0.00 0.00 179.45 177.07 2k7k h HIS 26 N 0.42 0.00 0.00 1.91 3.86 -1.88 -3.24 115.15 116.22 2k7k h HIS 26 Ca 0.09 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.18 2k7k h HIS 26 Cb 0.30 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 2k7k h HIS 26 CO 0.01 0.77 -0.58 1.15 0.86 0.00 0.00 177.93 180.13 2k7k h THR 27 N 0.00 1.12 0.33 2.45 2.02 -1.68 -2.97 112.91 114.17 2k7k h THR 27 Ca -0.08 -2.25 -0.02 0.00 0.77 0.00 0.00 66.41 64.83 2k7k h THR 27 Cb 1.66 2.33 0.00 0.00 -1.74 0.00 0.00 68.15 70.40 2k7k h THR 27 CO 0.09 0.57 -0.16 -0.61 0.37 0.00 0.00 175.52 175.78 2k7k h GLN 28 N 0.00 -0.43 -0.70 6.66 5.75 -1.17 -2.91 115.11 122.31 2k7k h GLN 28 Ca -0.01 0.03 0.18 0.00 -0.15 0.00 0.00 58.65 58.71 2k7k h GLN 28 Cb 1.29 0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.90 2k7k h GLN 28 CO 0.08 -0.29 0.49 0.00 -2.65 0.00 0.00 178.83 176.46 2k7k h ALA 29 N -1.28 2.49 -0.13 3.38 0.00 -1.68 0.21 119.26 122.25 2k7k h ALA 29 Ca -0.05 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2k7k h ALA 29 Cb 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2k7k h ALA 29 CO 0.07 -0.69 -0.35 0.93 0.00 0.00 0.00 179.25 179.22 2k7k h GLU 30 N 0.11 0.26 -0.14 0.00 5.08 -1.56 0.11 114.58 118.43 2k7k h GLU 30 Ca 0.34 -0.11 -0.16 0.00 -1.00 0.00 0.00 59.36 58.43 2k7k h GLU 30 Cb 1.17 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2k7k h GLU 30 CO -0.04 0.58 -0.60 0.78 -1.00 0.00 0.00 179.01 178.73 2k7k h GLY 31 N 1.12 0.51 1.47 -3.84 0.00 -0.38 -2.78 103.07 99.17 2k7k h GLY 31 Ca 0.03 -0.62 -0.18 0.00 0.00 0.00 0.00 47.33 46.56 2k7k h GLY 31 CO 0.05 0.56 -1.11 1.70 0.00 0.00 0.00 176.54 177.74 2k7k h LYS 32 N 0.35 0.00 0.00 4.80 3.11 -1.33 -1.51 116.57 121.99 2k7k h LYS 32 Ca -0.00 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.74 2k7k h LYS 32 Cb 1.14 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.35 2k7k h LYS 32 CO 0.11 0.51 -0.47 0.87 -2.81 0.00 0.00 179.45 177.66 2k7k h LYS 33 N 0.00 0.00 0.00 1.90 1.57 -0.77 -3.37 116.57 115.91 2k7k h LYS 33 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2k7k h LYS 33 Cb 1.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.94 2k7k h LYS 33 CO 0.07 0.47 -0.91 1.28 -0.57 0.00 0.00 179.45 179.79 2k7k n LEU 34 N -3.91 1.90 0.00 2.94 7.99 -1.05 -4.99 117.00 119.88 2k7k n LEU 34 Ca -0.01 0.38 0.00 0.00 -0.01 0.00 0.00 56.01 56.36 2k7k n LEU 34 Cb 0.50 -0.76 0.00 0.00 -0.11 0.00 0.00 43.42 43.05 2k7k n LEU 34 CO 0.40 -0.31 0.00 0.61 -1.51 0.00 0.00 177.39 176.58 2k7k n GLY 35 N 1.49 1.25 2.04 -0.72 0.00 -0.57 -4.85 105.19 103.82 2k7k n GLY 35 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2k7k n GLY 35 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k7k n LEU 36 N 0.00 -0.83 0.00 0.99 -0.00 -1.19 -4.87 117.00 111.10 2k7k n LEU 36 Ca 0.00 0.47 -0.13 0.00 -0.00 0.00 0.00 56.01 56.35 2k7k n LEU 36 Cb 0.00 0.95 -0.03 0.00 -0.00 0.00 0.00 43.42 44.33 2k7k n LEU 36 CO 0.00 -0.55 0.10 1.33 -0.00 0.00 0.00 177.39 178.27 2k7k n VAL 37 N -3.28 0.00 -1.30 1.96 0.24 -1.26 -4.36 118.33 110.33 2k7k n VAL 37 Ca 0.00 -1.64 0.00 0.00 -2.04 0.00 0.00 64.34 60.66 2k7k n VAL 37 Cb 0.00 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 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 -0.51 -2.41 3.18 7.63 0.00 -1.26 -3.68 105.19 108.15 2k7k n GLY 38 Ca 0.02 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 2k7k n GLY 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2k7k s TRP 39 N -2.33 0.09 0.06 1.61 -2.14 -1.25 -2.45 118.94 112.53 2k7k s TRP 39 Ca 0.00 -0.37 0.08 0.00 2.66 0.00 0.00 56.10 58.47 2k7k s TRP 39 Cb 0.00 -0.04 -0.03 0.00 -3.10 0.00 0.00 33.47 30.29 2k7k s TRP 39 CO 0.00 -0.46 -0.21 0.08 -2.66 0.00 0.00 176.95 173.70 2k7k s VAL 40 N -2.93 2.60 0.14 -0.66 1.01 -1.26 -1.80 120.40 117.51 2k7k s VAL 40 Ca -0.02 -1.30 -0.01 0.00 0.00 0.00 0.00 61.98 60.65 2k7k s VAL 40 Cb 0.01 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 2k7k s VAL 40 CO -0.06 0.30 0.05 -1.10 0.00 0.00 0.00 175.10 174.30 2k7k s GLN 41 N -1.50 0.98 0.27 2.72 -0.21 -0.07 -2.39 119.66 119.45 2k7k s GLN 41 Ca 0.14 -1.47 0.10 0.00 0.02 0.00 0.00 55.36 54.15 2k7k s GLN 41 Cb -0.10 0.15 -0.04 0.00 1.00 0.00 0.00 33.01 34.01 2k7k s GLN 41 CO 0.05 -0.25 -0.06 0.54 -2.12 0.00 0.00 175.29 173.45 2k7k s ASN 42 N -3.08 4.29 0.27 5.90 4.22 -1.26 -1.83 114.94 123.45 2k7k s ASN 42 Ca 0.25 -0.74 0.08 0.00 -2.14 0.00 0.00 52.86 50.31 2k7k s ASN 42 Cb 0.07 -0.70 -0.06 0.00 1.28 0.00 0.00 41.25 41.85 2k7k s ASN 42 CO 0.03 0.01 -0.10 0.42 -2.04 0.00 0.00 177.10 175.42 2k7k s THR 43 N -2.35 1.87 -0.09 0.54 -4.23 -1.17 -4.80 115.64 105.41 2k7k s THR 43 Ca 0.31 -2.19 0.14 0.00 -1.18 0.00 0.00 61.69 58.76 2k7k s THR 43 Cb -0.06 -2.37 -0.08 0.00 1.34 0.00 0.00 72.50 71.32 2k7k s THR 43 CO 0.18 -0.36 1.12 -0.78 -0.54 0.00 0.00 174.62 174.24 2k7k h ASP 44 N 2.30 0.00 0.27 3.99 1.82 -2.01 -3.38 116.42 119.40 2k7k h ASP 44 Ca -0.40 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.23 2k7k h ASP 44 Cb 1.24 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.25 2k7k h ASP 44 CO 0.66 0.66 -0.13 0.03 -1.61 0.00 0.00 179.24 178.85 2k7k h ARG 45 N 0.00 -0.35 0.00 0.28 -0.00 -2.06 -3.47 114.38 108.78 2k7k h ARG 45 Ca -0.09 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.41 2k7k h ARG 45 Cb 1.58 0.08 0.00 0.00 0.00 0.00 0.00 29.97 31.63 2k7k h ARG 45 CO 0.07 -0.23 0.00 0.41 0.00 0.00 0.00 179.97 180.22 2k7k n GLY 46 N -0.90 0.00 3.24 0.04 0.00 -1.26 -5.18 105.19 101.13 2k7k n GLY 46 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 0.08 -0.61 2.61 -4.23 -1.26 -4.72 115.64 107.50 2k7k s THR 47 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 2k7k s THR 47 Cb 0.00 -2.51 0.16 0.00 1.34 0.00 0.00 72.50 71.49 2k7k s THR 47 CO 0.00 0.00 0.41 -0.69 -0.54 0.00 0.00 174.62 173.80 2k7k s VAL 48 N -3.90 3.44 0.77 2.29 1.01 -1.17 -3.05 120.40 119.79 2k7k s VAL 48 Ca 0.39 -3.11 -0.12 0.00 0.00 0.00 0.00 61.98 59.13 2k7k s VAL 48 Cb 0.06 -3.27 0.06 0.00 0.00 0.00 0.00 36.38 33.23 2k7k s VAL 48 CO 0.16 -0.87 1.13 -1.58 0.00 0.00 0.00 175.10 173.95 2k7k s GLN 49 N -0.20 2.09 0.07 2.72 0.74 -0.76 -3.98 119.66 120.34 2k7k s GLN 49 Ca 0.17 1.43 -0.04 0.00 0.05 0.00 0.00 55.36 56.98 2k7k s GLN 49 Cb -0.21 -1.86 0.01 0.00 1.10 0.00 0.00 33.01 32.05 2k7k s GLN 49 CO -0.03 -1.81 0.19 0.41 -0.55 0.00 0.00 175.29 173.51 2k7k n GLY 50 N -0.39 1.51 3.28 2.59 0.00 -1.11 -0.89 105.19 110.18 2k7k n GLY 50 Ca 0.11 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 2k7k n GLY 50 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k7k s GLN 51 N -2.02 0.84 -0.06 1.61 2.00 -0.75 -3.78 119.66 117.51 2k7k s GLN 51 Ca 0.04 -0.39 -0.08 0.00 -2.00 0.00 0.00 55.36 52.93 2k7k s GLN 51 Cb -0.01 0.37 0.02 0.00 0.80 0.00 0.00 33.01 34.19 2k7k s GLN 51 CO 0.02 -0.27 0.22 -1.17 -0.50 0.00 0.00 175.29 173.58 2k7k s LEU 52 N -1.92 1.19 -0.03 3.68 2.96 -0.48 -3.75 118.68 120.33 2k7k s LEU 52 Ca -0.06 0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 54.11 2k7k s LEU 52 Cb -0.01 0.80 0.03 0.00 0.50 0.00 0.00 46.19 47.51 2k7k s LEU 52 CO -0.02 -0.18 0.07 -1.10 -1.32 0.00 0.00 176.35 173.81 2k7k s GLN 53 N -0.34 0.03 0.00 1.98 1.11 -1.24 -1.28 119.66 119.91 2k7k s GLN 53 Ca -0.04 0.22 0.00 0.00 0.01 0.00 0.00 55.36 55.54 2k7k s GLN 53 Cb -0.03 -0.16 0.00 0.00 -1.01 0.00 0.00 33.01 31.81 2k7k s GLN 53 CO 0.01 -0.13 0.00 0.41 0.01 0.00 0.00 175.29 175.59 2k7k n GLY 54 N 3.91 -2.18 3.77 3.09 0.00 0.48 -3.81 105.19 110.45 2k7k n GLY 54 Ca -0.24 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.89 3.61 0.46 1.61 0.04 -1.26 -0.13 135.00 137.44 2k7k s PRO 55 Ca 0.00 1.71 0.20 0.00 0.04 0.00 0.00 61.00 62.95 2k7k s PRO 55 Cb 0.00 -2.26 1.18 0.00 0.04 0.00 0.00 34.50 33.46 2k7k s PRO 55 CO 0.00 -0.66 1.93 0.97 0.04 0.00 0.00 177.00 179.28 2k7k h ILE 56 N 1.63 0.75 0.00 0.56 2.10 -1.74 0.34 117.51 121.14 2k7k h ILE 56 Ca -0.50 -0.09 -0.01 0.00 1.08 0.00 0.00 64.86 65.34 2k7k h ILE 56 Cb 1.25 0.45 -0.00 0.00 -1.09 0.00 0.00 36.82 37.43 2k7k h ILE 56 CO 0.59 0.05 -0.05 0.77 -1.08 0.00 0.00 178.15 178.43 2k7k h SER 57 N 0.27 0.00 0.00 2.19 4.64 -1.87 -1.54 113.55 117.24 2k7k h SER 57 Ca 0.35 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.32 2k7k h SER 57 Cb 1.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.02 2k7k h SER 57 CO -0.09 0.05 -2.32 0.29 -0.87 0.00 0.00 176.83 173.89 2k7k n LYS 58 N -3.95 0.77 0.03 4.77 4.01 0.83 -4.31 118.16 120.30 2k7k n LYS 58 Ca -0.03 0.07 0.04 0.00 -0.51 0.00 0.00 58.31 57.88 2k7k n LYS 58 Cb 0.13 -1.48 0.43 0.00 -0.51 0.00 0.00 35.03 33.60 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 1.11 0.00 -0.18 2.07 -0.29 -1.13 116.25 117.83 2k7k h VAL 59 Ca -0.52 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 66.64 2k7k h VAL 59 Cb 1.99 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 2k7k h VAL 59 CO -0.03 0.12 -0.41 -0.09 0.02 0.00 0.00 177.57 177.18 2k7k h ARG 60 N 0.48 0.00 0.00 1.57 9.65 -1.49 -2.75 114.38 121.84 2k7k h ARG 60 Ca 0.13 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.85 2k7k h ARG 60 Cb 0.01 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 2k7k h ARG 60 CO -0.02 0.41 -0.79 0.45 2.80 0.00 0.00 179.97 182.82 2k7k h HIS 61 N 0.00 0.00 -0.13 2.20 3.86 -1.43 -3.23 115.15 116.42 2k7k h HIS 61 Ca -0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 2k7k h HIS 61 Cb 0.79 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.25 2k7k h HIS 61 CO 0.00 0.70 -0.10 1.98 0.86 0.00 0.00 177.93 181.37 2k7k h MET 62 N 0.00 0.30 -0.16 2.45 -1.53 -1.06 -2.91 114.93 112.02 2k7k h MET 62 Ca -0.03 -0.15 -0.01 0.00 -3.44 0.00 0.00 59.70 56.07 2k7k h MET 62 Cb 1.56 -0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 32.60 2k7k h MET 62 CO 0.09 0.67 0.04 -0.56 0.14 0.00 0.00 176.91 177.29 2k7k h GLN 63 N -0.07 0.22 -1.01 0.39 3.07 -1.61 -1.40 115.11 114.71 2k7k h GLN 63 Ca 0.02 -0.02 -0.48 0.00 0.09 0.00 0.00 58.65 58.27 2k7k h GLN 63 Cb 0.60 -0.05 -0.27 0.00 0.08 0.00 0.00 27.48 27.84 2k7k h GLN 63 CO 0.03 0.21 0.60 -0.85 0.09 0.00 0.00 178.83 178.91 2k7k n GLU 64 N -4.45 2.15 0.00 0.06 0.28 -1.16 -4.12 120.64 113.40 2k7k n GLU 64 Ca -0.01 -2.70 0.00 0.00 -0.16 0.00 0.00 57.16 54.30 2k7k n GLU 64 Cb 0.13 -2.06 0.00 0.00 1.43 0.00 0.00 31.44 30.94 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 -0.94 0.00 0.21 -1.84 -0.00 -0.57 -4.70 117.44 109.60 2k7k n TRP 65 Ca 0.54 0.00 0.07 0.00 -0.00 0.00 0.00 57.50 58.11 2k7k n TRP 65 Cb 1.47 0.09 0.46 0.00 -0.00 0.00 0.00 31.31 33.32 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 -0.25 5.87 3.38 -1.62 0.17 115.31 122.86 2k7k h LEU 66 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2k7k h LEU 66 Cb 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2k7k h LEU 66 CO 0.00 0.29 -0.59 1.05 0.09 0.00 0.00 178.44 179.28 2k7k h GLU 67 N 0.00 0.00 0.00 1.13 4.11 -1.84 -3.40 114.58 114.58 2k7k h GLU 67 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k7k h GLU 67 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2k7k h GLU 67 CO 0.04 0.59 0.00 0.25 0.07 0.00 0.00 179.01 179.95 2k7k n THR 68 N -3.35 0.00 -1.60 -1.06 -2.24 -0.99 -4.91 114.28 100.13 2k7k n THR 68 Ca 0.01 0.46 -0.36 0.00 -2.27 0.00 0.00 64.05 61.89 2k7k n THR 68 Cb 0.72 -1.44 0.08 0.00 -2.10 0.00 0.00 70.33 67.59 2k7k n THR 68 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2k7k s ARG 69 N -0.91 2.35 0.00 -0.78 1.81 0.58 -4.99 118.95 117.01 2k7k s ARG 69 Ca 0.00 1.97 0.00 0.00 -1.72 0.00 0.00 55.73 55.98 2k7k s ARG 69 Cb 0.00 -1.83 0.00 0.00 -0.45 0.00 0.00 34.95 32.67 2k7k s ARG 69 CO 0.00 -1.73 0.00 0.41 -0.68 0.00 0.00 175.30 173.30 2k7k n GLY 70 N 0.75 3.95 3.40 -3.53 0.00 -1.26 -4.61 105.19 103.88 2k7k n GLY 70 Ca 0.15 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.19 0.12 1.61 7.64 -1.26 -4.90 113.62 114.64 2k7k n SER 71 Ca 0.00 0.30 -0.01 0.00 1.01 0.00 0.00 58.87 60.16 2k7k n SER 71 Cb 0.00 -1.18 0.22 0.00 -1.01 0.00 0.00 64.21 62.24 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 -1.59 0.15 -1.03 1.43 0.13 -2.00 -2.97 132.00 126.11 2k7k h PRO 72 Ca -0.44 -0.08 -0.46 0.00 -0.87 0.00 0.00 66.00 64.15 2k7k h PRO 72 Cb 1.29 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.16 2k7k h PRO 72 CO 0.34 0.59 0.59 1.63 -0.23 0.00 0.00 178.00 180.93 2k7k n LYS 73 N -3.97 2.13 -3.19 0.86 4.76 -1.26 -4.51 118.16 112.97 2k7k n LYS 73 Ca -0.02 -2.58 -0.22 0.00 -2.87 0.00 0.00 58.31 52.62 2k7k n LYS 73 Cb 0.51 -2.01 -0.06 0.00 -1.84 0.00 0.00 35.03 31.64 2k7k n LYS 73 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2k7k n SER 74 N -0.82 0.40 -4.51 4.39 2.88 -1.12 -4.45 113.62 110.39 2k7k n SER 74 Ca 0.51 -2.81 -0.34 0.00 -1.33 0.00 0.00 58.87 54.90 2k7k n SER 74 Cb 1.32 -0.63 0.11 0.00 -0.75 0.00 0.00 64.21 64.26 2k7k n SER 74 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2k7k n HIS 75 N 1.00 -0.42 -3.86 0.66 -0.00 -1.26 -4.69 115.22 106.66 2k7k n HIS 75 Ca 0.22 0.33 -0.28 0.00 0.46 0.00 0.00 57.72 58.45 2k7k n HIS 75 Cb 0.58 -1.92 -0.12 0.00 -0.12 0.00 0.00 29.99 28.40 2k7k n HIS 75 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 2k7k s ILE 76 N -2.15 2.51 0.01 3.57 1.01 -1.26 -3.91 121.20 120.98 2k7k s ILE 76 Ca 0.65 -3.81 -0.24 0.00 0.00 0.00 0.00 60.65 57.25 2k7k s ILE 76 Cb -0.28 -2.68 -0.17 0.00 0.01 0.00 0.00 42.46 39.33 2k7k s ILE 76 CO 0.59 -0.97 1.33 -0.78 0.00 0.00 0.00 174.94 175.11 2k7k h ASP 77 N 5.75 0.15 -3.26 3.58 3.58 -0.91 -3.43 116.42 121.89 2k7k h ASP 77 Ca 0.09 -0.45 -0.49 0.00 0.42 0.00 0.00 57.03 56.60 2k7k h ASP 77 Cb 0.81 -0.04 -0.38 0.00 1.72 0.00 0.00 39.33 41.44 2k7k h ASP 77 CO 0.67 0.57 -0.78 -0.75 -2.88 0.00 0.00 179.24 176.07 2k7k s LYS 78 N -4.40 0.88 -0.35 0.28 2.47 -1.24 -4.98 119.74 112.41 2k7k s LYS 78 Ca -0.15 -0.16 0.01 0.00 -1.56 0.00 0.00 55.97 54.11 2k7k s LYS 78 Cb 0.03 -1.48 0.11 0.00 -1.46 0.00 0.00 37.83 35.03 2k7k s LYS 78 CO 0.70 -0.39 0.11 0.00 0.16 0.00 0.00 175.35 175.93 2k7k s ALA 79 N 1.86 2.06 0.30 3.13 0.00 -1.26 -2.83 121.76 125.02 2k7k s ALA 79 Ca 0.03 -2.11 0.04 0.00 0.00 0.00 0.00 51.96 49.92 2k7k s ALA 79 Cb -0.14 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.19 2k7k s ALA 79 CO -0.07 -1.75 0.16 0.27 0.00 0.00 0.00 175.76 174.37 2k7k n ASN 80 N 4.41 0.53 -4.10 0.00 0.23 -1.22 -4.97 115.26 110.15 2k7k n ASN 80 Ca 0.02 -2.72 -0.08 0.00 -0.53 0.00 0.00 54.58 51.26 2k7k n ASN 80 Cb 0.40 1.00 -0.10 0.00 -2.08 0.00 0.00 39.78 39.01 2k7k n ASN 80 CO 0.00 0.00 0.00 0.72 -0.93 0.00 0.00 177.26 177.05 2k7k s PHE 81 N -2.88 0.63 0.96 -2.53 -0.12 -1.26 -2.23 117.98 110.55 2k7k s PHE 81 Ca 0.22 -1.10 -0.16 0.00 -0.05 0.00 0.00 56.93 55.84 2k7k s PHE 81 Cb 0.01 -0.40 0.19 0.00 -0.63 0.00 0.00 43.02 42.20 2k7k s PHE 81 CO 0.16 -0.45 1.30 1.21 -0.05 0.00 0.00 175.22 177.38 2k7k s ASN 82 N -2.97 3.14 -0.83 1.98 2.47 -1.25 -4.90 114.94 112.58 2k7k s ASN 82 Ca 0.14 0.33 -0.25 0.00 0.42 0.00 0.00 52.86 53.50 2k7k s ASN 82 Cb 0.07 -0.43 -0.08 0.00 -1.45 0.00 0.00 41.25 39.37 2k7k s ASN 82 CO -0.05 -2.72 2.12 0.20 -3.72 0.00 0.00 177.10 172.93 2k7k s ASN 83 N -4.82 4.67 1.07 -4.21 -0.87 -1.26 -4.78 114.94 104.74 2k7k s ASN 83 Ca 0.73 -0.29 -0.17 0.00 -1.57 0.00 0.00 52.86 51.56 2k7k s ASN 83 Cb -0.05 -2.55 0.08 0.00 -0.02 0.00 0.00 41.25 38.71 2k7k s ASN 83 CO 0.53 -3.13 0.08 -1.84 -2.57 0.00 0.00 177.10 170.17 2k7k n GLU 84 N 8.87 -1.16 -3.75 -0.60 0.28 -1.26 -5.03 120.64 118.00 2k7k n GLU 84 Ca 0.41 -0.31 -0.06 0.00 -0.16 0.00 0.00 57.16 57.04 2k7k n GLU 84 Cb 0.46 -1.72 -0.02 0.00 1.43 0.00 0.00 31.44 31.59 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 -3.45 1.43 0.04 3.44 -2.85 -1.12 -5.04 119.74 112.18 2k7k s LYS 85 Ca 0.56 -0.75 -0.11 0.00 -1.00 0.00 0.00 55.97 54.66 2k7k s LYS 85 Cb -0.14 0.51 -0.06 0.00 -2.06 0.00 0.00 37.83 36.08 2k7k s LYS 85 CO 0.67 -0.65 0.38 0.08 0.10 0.00 0.00 175.35 175.93 2k7k s VAL 86 N -3.59 5.11 0.33 1.79 1.01 -1.26 -2.25 120.40 121.54 2k7k s VAL 86 Ca 0.10 0.55 0.02 0.00 0.00 0.00 0.00 61.98 62.65 2k7k s VAL 86 Cb -0.03 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 2k7k s VAL 86 CO 0.02 0.41 0.09 2.30 0.00 0.00 0.00 175.10 177.92 2k7k n ILE 87 N 1.29 0.00 -0.03 2.22 -0.00 -1.22 -4.99 119.36 116.63 2k7k n ILE 87 Ca -0.11 -1.83 -0.13 0.00 -0.00 0.00 0.00 62.75 60.68 2k7k n ILE 87 Cb 0.52 0.59 -0.11 0.00 -0.00 0.00 0.00 39.64 40.65 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 -0.02 0.00 7.28 4.07 -1.99 -3.47 115.31 121.18 2k7k h LEU 88 Ca -0.26 -0.66 -0.03 0.00 0.08 0.00 0.00 57.88 57.01 2k7k h LEU 88 Cb 0.95 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.69 2k7k h LEU 88 CO 0.42 0.67 0.13 2.29 -1.08 0.00 0.00 178.44 180.87 2k7k n LYS 89 N -4.77 0.57 -0.76 1.13 2.85 -1.26 -5.03 118.16 110.89 2k7k n LYS 89 Ca -0.09 -1.18 -0.30 0.00 -1.05 0.00 0.00 58.31 55.69 2k7k n LYS 89 Cb 0.34 1.44 0.18 0.00 -0.65 0.00 0.00 35.03 36.33 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 2.32 -0.22 -5.58 1.43 -1.26 -4.98 118.68 110.39 2k7k s LEU 90 Ca 0.09 1.93 0.11 0.00 -1.03 0.00 0.00 54.13 55.23 2k7k s LEU 90 Cb -0.02 -4.23 -0.21 0.00 0.03 0.00 0.00 46.19 41.76 2k7k s LEU 90 CO 0.07 -3.22 -0.05 -0.67 0.23 0.00 0.00 176.35 172.70 2k7k n ASP 91 N -4.30 0.91 -4.68 2.29 -0.08 -1.26 -5.01 116.55 104.42 2k7k n ASP 91 Ca 0.09 -0.06 -0.27 0.00 -1.51 0.00 0.00 54.79 53.05 2k7k n ASP 91 Cb 0.53 0.42 -0.09 0.00 2.34 0.00 0.00 41.12 44.31 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 -2.49 2.54 -0.09 -0.67 1.51 -1.26 -5.06 117.35 111.82 2k7k s TYR 92 Ca -0.20 -0.64 0.11 0.00 -1.01 0.00 0.00 57.07 55.33 2k7k s TYR 92 Cb 0.07 -1.85 -0.16 0.00 -0.11 0.00 0.00 41.96 39.91 2k7k s TYR 92 CO 0.72 0.33 0.10 -1.13 -1.11 0.00 0.00 175.55 174.45 2k7k n SER 93 N -1.10 2.06 -3.73 2.29 3.41 -1.26 -4.94 113.62 110.36 2k7k n SER 93 Ca -0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.44 2k7k n SER 93 Cb 0.66 0.98 -0.08 0.00 -0.26 0.00 0.00 64.21 65.51 2k7k n SER 93 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2k7k s ASP 94 N -4.23 -0.23 0.04 4.04 -4.77 -1.26 -4.96 116.67 105.30 2k7k s ASP 94 Ca -0.06 0.09 -0.35 0.00 -3.30 0.00 0.00 52.55 48.94 2k7k s ASP 94 Cb 0.05 0.35 -0.13 0.00 -1.09 0.00 0.00 42.92 42.09 2k7k s ASP 94 CO 0.50 -0.51 1.68 2.22 0.70 0.00 0.00 175.17 179.76 2k7k n PHE 95 N 1.05 2.21 -3.68 2.11 -1.74 -1.26 -4.60 117.46 111.56 2k7k n PHE 95 Ca -0.21 0.21 -0.10 0.00 -0.56 0.00 0.00 57.45 56.80 2k7k n PHE 95 Cb 0.57 -2.56 -0.10 0.00 1.52 0.00 0.00 39.48 38.90 2k7k n PHE 95 CO 0.00 0.00 0.00 -0.65 -0.56 0.00 0.00 176.76 175.55 2k7k s GLN 96 N 2.17 0.37 0.23 3.97 -1.52 -1.02 -4.98 119.66 118.88 2k7k s GLN 96 Ca 0.85 0.89 -0.21 0.00 -1.95 0.00 0.00 55.36 54.94 2k7k s GLN 96 Cb -0.73 0.11 -0.08 0.00 -0.22 0.00 0.00 33.01 32.08 2k7k s GLN 96 CO 0.45 -0.20 0.76 0.42 -0.25 0.00 0.00 175.29 176.48 2k7k s ILE 97 N 1.88 4.49 0.01 1.08 1.01 -1.26 -4.08 121.20 124.33 2k7k s ILE 97 Ca -0.06 1.41 -0.19 0.00 0.00 0.00 0.00 60.65 61.80 2k7k s ILE 97 Cb -0.10 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 38.41 2k7k s ILE 97 CO -0.13 0.23 0.55 -0.69 0.00 0.00 0.00 174.94 174.90 2k7k s VAL 98 N -1.50 4.90 -2.63 2.92 1.01 -1.01 -4.90 120.40 119.20 2k7k s VAL 98 Ca 0.43 1.15 0.27 0.00 0.00 0.00 0.00 61.98 63.83 2k7k s VAL 98 Cb -0.18 -3.88 0.46 0.00 0.00 0.00 0.00 36.38 32.78 2k7k s VAL 98 CO 0.22 0.47 1.62 1.17 0.00 0.00 0.00 175.10 178.58