#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 -0.68 -0.33 4.61 0.00 -1.26 -5.13 121.76 118.96 2k7k s ALA 2 Ca 0.00 1.08 -0.12 0.00 0.00 0.00 0.00 51.96 52.92 2k7k s ALA 2 Cb 0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 2k7k s ALA 2 CO 0.00 -0.20 0.22 -2.00 0.00 0.00 0.00 175.76 173.78 2k7k s GLU 3 N 1.12 3.49 0.00 0.00 2.12 -1.26 -5.06 118.70 119.11 2k7k s GLU 3 Ca -0.08 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 54.61 2k7k s GLU 3 Cb -0.09 -3.76 0.00 0.00 0.26 0.00 0.00 34.13 30.54 2k7k s GLU 3 CO -0.08 -0.43 0.00 0.41 -0.54 0.00 0.00 175.26 174.62 2k7k n GLY 4 N 5.08 0.78 3.86 -1.50 0.00 -1.26 -4.83 105.19 107.32 2k7k n GLY 4 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.22 -3.71 1.61 2.85 -1.26 -4.96 115.26 107.56 2k7k n ASN 5 Ca 0.00 -0.86 -0.28 0.00 -0.11 0.00 0.00 54.58 53.33 2k7k n ASN 5 Cb 0.00 -3.70 -0.16 0.00 1.24 0.00 0.00 39.78 37.16 2k7k n ASN 5 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2k7k s THR 6 N -3.59 0.55 0.57 -0.44 2.01 -1.26 -5.04 115.64 108.43 2k7k s THR 6 Ca 0.25 -0.78 -0.20 0.00 0.31 0.00 0.00 61.69 61.27 2k7k s THR 6 Cb -0.13 -1.18 -0.05 0.00 0.01 0.00 0.00 72.50 71.15 2k7k s THR 6 CO 0.84 -0.38 1.09 0.18 -0.69 0.00 0.00 174.62 175.67 2k7k n LEU 7 N 5.02 4.18 -3.77 4.42 7.99 -1.26 -2.37 117.00 131.21 2k7k n LEU 7 Ca -0.07 0.88 -0.11 0.00 -0.01 0.00 0.00 56.01 56.70 2k7k n LEU 7 Cb 0.45 -1.44 -0.07 0.00 -0.11 0.00 0.00 43.42 42.25 2k7k n LEU 7 CO 0.12 -1.44 0.00 0.27 -1.51 0.00 0.00 177.39 174.83 2k7k s ILE 8 N -1.42 0.09 -0.19 -0.08 -4.36 0.31 -3.49 121.20 112.07 2k7k s ILE 8 Ca 0.74 -0.78 -0.02 0.00 -0.26 0.00 0.00 60.65 60.33 2k7k s ILE 8 Cb -0.43 -1.01 -0.01 0.00 1.25 0.00 0.00 42.46 42.26 2k7k s ILE 8 CO 0.48 -0.43 -0.09 -0.94 0.24 0.00 0.00 174.94 174.21 2k7k s SER 9 N -2.24 4.10 0.02 4.36 1.04 0.84 -2.90 113.70 118.93 2k7k s SER 9 Ca -0.03 -0.39 -0.04 0.00 0.48 0.00 0.00 55.95 55.97 2k7k s SER 9 Cb 0.00 -1.67 -0.01 0.00 0.10 0.00 0.00 66.02 64.44 2k7k s SER 9 CO -0.05 0.05 0.07 0.54 0.98 0.00 0.00 173.24 174.82 2k7k s VAL 10 N 1.06 0.11 0.41 5.02 0.11 -1.17 -2.58 120.40 123.36 2k7k s VAL 10 Ca 0.00 -0.93 0.04 0.00 -2.93 0.00 0.00 61.98 58.16 2k7k s VAL 10 Cb -0.15 -0.57 0.04 0.00 -1.53 0.00 0.00 36.38 34.17 2k7k s VAL 10 CO -0.01 -0.51 0.33 0.47 -3.33 0.00 0.00 175.10 172.04 2k7k n ASP 11 N 1.23 2.26 -3.96 3.54 8.00 -1.26 -2.49 116.55 123.86 2k7k n ASP 11 Ca -0.22 -2.39 -0.09 0.00 0.71 0.00 0.00 54.79 52.80 2k7k n ASP 11 Cb 0.56 -0.05 -0.09 0.00 -0.02 0.00 0.00 41.12 41.52 2k7k n ASP 11 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2k7k s TYR 12 N -2.01 0.28 -0.18 1.24 2.02 -0.33 -3.54 117.35 114.83 2k7k s TYR 12 Ca 0.25 -0.67 -0.07 0.00 -0.37 0.00 0.00 57.07 56.21 2k7k s TYR 12 Cb -0.02 -0.19 0.08 0.00 -0.40 0.00 0.00 41.96 41.42 2k7k s TYR 12 CO 0.16 -0.40 0.39 -2.00 -1.57 0.00 0.00 175.55 172.13 2k7k s GLU 13 N -3.16 0.31 0.09 -0.62 2.12 -1.22 -3.26 118.70 112.97 2k7k s GLU 13 Ca -0.00 0.90 0.08 0.00 0.36 0.00 0.00 54.97 56.30 2k7k s GLU 13 Cb 0.02 0.15 -0.03 0.00 0.26 0.00 0.00 34.13 34.53 2k7k s GLU 13 CO -0.07 -0.22 -0.20 0.42 -0.54 0.00 0.00 175.26 174.65 2k7k s ILE 14 N 2.15 1.63 0.04 -3.70 -1.09 -1.14 -3.56 121.20 115.53 2k7k s ILE 14 Ca -0.04 -1.49 0.03 0.00 -2.23 0.00 0.00 60.65 56.92 2k7k s ILE 14 Cb -0.11 -1.49 -0.02 0.00 -1.58 0.00 0.00 42.46 39.26 2k7k s ILE 14 CO -0.12 -0.06 -0.09 0.12 -1.23 0.00 0.00 174.94 173.56 2k7k s PHE 15 N -1.15 0.76 0.00 3.97 5.36 -1.04 -3.97 117.98 121.91 2k7k s PHE 15 Ca 0.05 -0.45 0.00 0.00 -0.96 0.00 0.00 56.93 55.58 2k7k s PHE 15 Cb -0.10 -0.45 0.00 0.00 -0.34 0.00 0.00 43.02 42.13 2k7k s PHE 15 CO 0.04 -0.05 0.00 0.41 -1.46 0.00 0.00 175.22 174.16 2k7k n GLY 16 N 1.61 0.41 1.94 13.12 0.00 -1.26 -1.17 105.19 119.84 2k7k n GLY 16 Ca -0.21 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.64 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 2.43 -1.04 1.61 3.00 -1.18 -4.37 118.16 118.62 2k7k n LYS 17 Ca 0.00 -2.48 -0.16 0.00 -0.00 0.00 0.00 58.31 55.67 2k7k n LYS 17 Cb 0.00 -1.99 0.20 0.00 0.00 0.00 0.00 35.03 33.24 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 -0.59 2.87 -3.48 3.15 0.24 -1.26 -4.22 118.33 115.04 2k7k n VAL 18 Ca 0.44 -1.62 -0.43 0.00 -2.04 0.00 0.00 64.34 60.69 2k7k n VAL 18 Cb 1.38 -0.48 -0.05 0.00 -1.47 0.00 0.00 33.84 33.22 2k7k n VAL 18 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2k7k s GLN 19 N -2.86 3.15 0.00 7.34 1.11 -1.26 -4.44 119.66 122.69 2k7k s GLN 19 Ca 0.50 -2.41 0.00 0.00 0.01 0.00 0.00 55.36 53.47 2k7k s GLN 19 Cb 0.42 -4.15 0.00 0.00 -1.01 0.00 0.00 33.01 28.26 2k7k s GLN 19 CO 0.11 -1.25 0.00 0.41 0.01 0.00 0.00 175.29 174.57 2k7k n GLY 20 N 3.93 0.51 2.61 3.09 0.00 -1.26 -5.10 105.19 108.96 2k7k n GLY 20 Ca 0.09 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.98 0.00 -1.12 1.61 0.24 -1.26 -5.04 118.33 111.77 2k7k n VAL 21 Ca 0.00 -1.79 -0.12 0.00 -2.04 0.00 0.00 64.34 60.39 2k7k n VAL 21 Cb 0.38 0.52 0.26 0.00 -1.47 0.00 0.00 33.84 33.54 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 -0.80 2.65 0.17 6.34 -1.74 -1.26 -4.41 117.46 118.41 2k7k n PHE 22 Ca -0.09 -1.44 0.04 0.00 -0.56 0.00 0.00 57.45 55.39 2k7k n PHE 22 Cb 0.47 -0.78 0.24 0.00 1.52 0.00 0.00 39.48 40.93 2k7k n PHE 22 CO 0.00 0.00 0.00 0.35 -0.56 0.00 0.00 176.76 176.55 2k7k h PHE 23 N 2.05 0.00 -0.60 2.97 3.57 -1.96 -3.10 116.94 119.86 2k7k h PHE 23 Ca 0.40 0.00 0.17 0.00 3.53 0.00 0.00 57.97 62.07 2k7k h PHE 23 Cb 2.52 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 41.23 2k7k h PHE 23 CO 1.40 0.46 0.43 0.00 -2.23 0.00 0.00 178.31 178.36 2k7k h ARG 24 N 0.00 0.04 -0.17 1.11 3.08 -1.98 0.20 114.38 116.66 2k7k h ARG 24 Ca -0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2k7k h ARG 24 Cb 1.05 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 2k7k h ARG 24 CO 0.06 0.03 0.06 -0.22 -1.07 0.00 0.00 179.97 178.83 2k7k h LYS 25 N 0.04 0.25 -0.00 0.04 3.11 -1.90 -1.49 116.57 116.62 2k7k h LYS 25 Ca 0.29 -0.05 -0.11 0.00 -2.81 0.00 0.00 60.65 57.97 2k7k h LYS 25 Cb 1.09 -0.04 0.01 0.00 -1.00 0.00 0.00 32.23 32.29 2k7k h LYS 25 CO -0.01 0.34 -0.41 1.25 -2.81 0.00 0.00 179.45 177.81 2k7k h HIS 26 N 0.11 0.42 -0.83 1.91 2.76 -1.38 -3.25 115.15 114.89 2k7k h HIS 26 Ca 0.06 -0.23 0.17 0.00 -2.20 0.00 0.00 60.37 58.17 2k7k h HIS 26 Cb 0.19 -0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.04 2k7k h HIS 26 CO -0.01 1.03 0.55 1.15 -1.30 0.00 0.00 177.93 179.36 2k7k h THR 27 N -0.31 0.76 0.33 6.26 2.02 -0.69 0.12 112.91 121.40 2k7k h THR 27 Ca -0.05 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 2k7k h THR 27 Cb 1.14 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2k7k h THR 27 CO 0.08 0.08 -0.17 -0.61 0.37 0.00 0.00 175.52 175.27 2k7k h GLN 28 N 0.45 -0.45 0.00 6.66 4.15 -1.30 -2.56 115.11 122.06 2k7k h GLN 28 Ca 0.42 0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.87 2k7k h GLN 28 Cb 0.95 0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.75 2k7k h GLN 28 CO -0.15 -0.30 -0.02 0.00 -1.93 0.00 0.00 178.83 176.42 2k7k h ALA 29 N -1.74 1.49 -0.46 3.38 0.00 -1.56 -1.71 119.26 118.66 2k7k h ALA 29 Ca -0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2k7k h ALA 29 Cb 0.36 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2k7k h ALA 29 CO 0.07 0.03 0.22 0.93 0.00 0.00 0.00 179.25 180.49 2k7k h GLU 30 N 0.00 0.64 -0.65 0.00 4.39 -0.53 0.23 114.58 118.67 2k7k h GLU 30 Ca -0.00 -0.07 0.11 0.00 0.34 0.00 0.00 59.36 59.73 2k7k h GLU 30 Cb 0.06 -0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 28.51 2k7k h GLU 30 CO 0.00 0.50 0.24 0.78 -1.16 0.00 0.00 179.01 179.37 2k7k h GLY 31 N 0.76 0.92 1.00 -3.84 0.00 -0.90 0.75 103.07 101.75 2k7k h GLY 31 Ca 0.16 -0.12 -0.29 0.00 0.00 0.00 0.00 47.33 47.08 2k7k h GLY 31 CO -0.02 -0.05 -1.70 1.70 0.00 0.00 0.00 176.54 176.48 2k7k h LYS 32 N 0.41 0.02 -0.09 4.80 3.11 -1.52 -0.52 116.57 122.77 2k7k h LYS 32 Ca 0.33 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 58.12 2k7k h LYS 32 Cb 0.45 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.68 2k7k h LYS 32 CO -0.34 0.55 -0.08 -0.22 -2.81 0.00 0.00 179.45 176.55 2k7k h LYS 33 N 0.00 0.13 0.00 1.90 3.64 -0.14 -3.34 116.57 118.76 2k7k h LYS 33 Ca -0.28 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 58.95 2k7k h LYS 33 Cb 2.01 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.79 2k7k h LYS 33 CO 0.08 0.22 -1.26 1.28 -2.27 0.00 0.00 179.45 177.50 2k7k n LEU 34 N -4.37 1.63 0.00 5.20 7.99 0.22 -5.04 117.00 122.64 2k7k n LEU 34 Ca -0.01 0.27 0.00 0.00 -0.01 0.00 0.00 56.01 56.26 2k7k n LEU 34 Cb 0.20 -0.63 0.00 0.00 -0.11 0.00 0.00 43.42 42.88 2k7k n LEU 34 CO 0.36 -0.09 0.00 0.61 -1.51 0.00 0.00 177.39 176.76 2k7k n GLY 35 N 1.87 0.36 1.64 -0.72 0.00 -0.49 -4.85 105.19 103.01 2k7k n GLY 35 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.26 0.00 0.99 4.77 -0.33 -4.67 117.00 118.02 2k7k n LEU 36 Ca 0.00 0.31 -0.10 0.00 -0.03 0.00 0.00 56.01 56.19 2k7k n LEU 36 Cb 0.00 0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 2k7k n LEU 36 CO 0.00 -0.71 0.16 1.33 -1.33 0.00 0.00 177.39 176.84 2k7k n VAL 37 N -3.38 0.00 -3.05 4.08 0.24 -1.21 -3.51 118.33 111.50 2k7k n VAL 37 Ca 0.00 -1.25 0.00 0.00 -2.04 0.00 0.00 64.34 61.05 2k7k n VAL 37 Cb 0.03 0.81 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 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 -0.43 -1.22 3.25 7.63 0.00 -1.26 -3.02 105.19 110.14 2k7k n GLY 38 Ca -0.00 -1.33 -0.08 0.00 0.00 0.00 0.00 46.02 44.61 2k7k n GLY 38 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2k7k n TRP 39 N 7.82 -2.18 -4.38 1.61 2.14 -1.07 -2.18 117.44 119.20 2k7k n TRP 39 Ca 0.00 -1.62 -0.20 0.00 2.07 0.00 0.00 57.50 57.75 2k7k n TRP 39 Cb 0.00 0.80 -0.14 0.00 -0.81 0.00 0.00 31.31 31.17 2k7k n TRP 39 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 2k7k s VAL 40 N -2.23 1.08 -0.04 -1.67 1.01 -1.26 -0.13 120.40 117.15 2k7k s VAL 40 Ca 0.14 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 2k7k s VAL 40 Cb -0.04 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.40 2k7k s VAL 40 CO 0.10 0.04 0.08 -1.58 0.00 0.00 0.00 175.10 173.74 2k7k s GLN 41 N -1.01 -0.00 0.13 2.72 0.74 -0.22 -3.01 119.66 119.00 2k7k s GLN 41 Ca 0.02 0.31 -0.06 0.00 0.05 0.00 0.00 55.36 55.68 2k7k s GLN 41 Cb -0.07 -0.27 -0.06 0.00 1.10 0.00 0.00 33.01 33.71 2k7k s GLN 41 CO 0.01 -0.21 0.38 0.54 -0.55 0.00 0.00 175.29 175.46 2k7k s ASN 42 N 1.40 6.52 0.46 6.67 4.22 -1.26 -0.12 114.94 132.82 2k7k s ASN 42 Ca -0.06 0.63 0.00 0.00 -2.14 0.00 0.00 52.86 51.29 2k7k s ASN 42 Cb -0.12 -2.11 -0.00 0.00 1.28 0.00 0.00 41.25 40.30 2k7k s ASN 42 CO -0.04 0.08 0.68 0.42 -2.04 0.00 0.00 177.10 176.19 2k7k s THR 43 N -1.60 3.91 -0.55 0.54 -4.23 -0.66 -4.92 115.64 108.13 2k7k s THR 43 Ca 0.39 -0.51 -0.00 0.00 -1.18 0.00 0.00 61.69 60.39 2k7k s THR 43 Cb -0.12 -3.45 0.46 0.00 1.34 0.00 0.00 72.50 70.73 2k7k s THR 43 CO 0.23 -0.31 1.98 -0.90 -0.54 0.00 0.00 174.62 175.07 2k7k n ASP 44 N -2.09 6.39 0.00 3.99 5.68 -1.26 -4.20 116.55 125.06 2k7k n ASP 44 Ca 0.02 -3.60 0.00 0.00 -0.50 0.00 0.00 54.79 50.71 2k7k n ASP 44 Cb 0.58 -0.94 0.00 0.00 -1.14 0.00 0.00 41.12 39.62 2k7k n ASP 44 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2k7k n ARG 45 N -0.77 0.00 0.00 0.11 1.74 -1.26 -5.06 116.66 111.42 2k7k n ARG 45 Ca 0.56 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.64 2k7k n ARG 45 Cb 0.91 -0.72 0.00 0.00 -1.02 0.00 0.00 32.46 31.63 2k7k n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k7k n GLY 46 N 2.41 0.00 3.74 -0.13 0.00 -1.26 -5.18 105.19 104.77 2k7k n GLY 46 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 -0.02 2.61 -4.23 -1.26 -4.87 115.64 107.87 2k7k s THR 47 Ca 0.00 -1.14 0.01 0.00 -1.18 0.00 0.00 61.69 59.37 2k7k s THR 47 Cb 0.00 -2.58 0.01 0.00 1.34 0.00 0.00 72.50 71.27 2k7k s THR 47 CO 0.00 0.00 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.37 2k7k s VAL 48 N -2.96 0.22 -0.19 2.29 1.01 -1.25 -1.65 120.40 117.86 2k7k s VAL 48 Ca 0.18 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.15 2k7k s VAL 48 Cb -0.04 -0.26 0.04 0.00 0.00 0.00 0.00 36.38 36.12 2k7k s VAL 48 CO 0.12 0.11 -0.14 -1.10 0.00 0.00 0.00 175.10 174.10 2k7k s GLN 49 N 0.51 2.35 -0.06 2.72 -0.21 0.83 -2.90 119.66 122.90 2k7k s GLN 49 Ca -0.05 -0.86 -0.13 0.00 0.02 0.00 0.00 55.36 54.34 2k7k s GLN 49 Cb -0.08 -2.46 -0.05 0.00 1.00 0.00 0.00 33.01 31.42 2k7k s GLN 49 CO -0.01 -0.36 0.34 0.20 -2.12 0.00 0.00 175.29 173.34 2k7k s GLY 50 N 1.35 2.36 0.10 3.09 0.00 -1.20 -1.06 107.32 111.95 2k7k s GLY 50 Ca 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 44.72 44.35 2k7k s GLY 50 CO -0.09 0.16 0.30 1.20 0.00 0.00 0.00 173.10 174.66 2k7k s GLN 51 N -0.62 3.54 -0.05 2.90 1.11 0.81 -1.19 119.66 126.17 2k7k s GLN 51 Ca 0.21 -0.23 -0.06 0.00 0.01 0.00 0.00 55.36 55.28 2k7k s GLN 51 Cb -0.15 -2.94 0.01 0.00 -1.01 0.00 0.00 33.01 28.92 2k7k s GLN 51 CO 0.09 0.54 0.16 -1.17 0.01 0.00 0.00 175.29 174.93 2k7k s LEU 52 N -2.53 1.40 -0.22 2.90 2.96 -1.04 -2.59 118.68 119.56 2k7k s LEU 52 Ca 0.38 0.20 -0.04 0.00 -0.22 0.00 0.00 54.13 54.45 2k7k s LEU 52 Cb -0.13 0.61 0.09 0.00 0.50 0.00 0.00 46.19 47.26 2k7k s LEU 52 CO 0.25 -0.14 0.17 -1.10 -1.32 0.00 0.00 176.35 174.21 2k7k s GLN 53 N -0.28 0.16 0.04 1.98 -0.21 -1.17 -3.06 119.66 117.12 2k7k s GLN 53 Ca -0.04 -0.09 -0.05 0.00 0.02 0.00 0.00 55.36 55.20 2k7k s GLN 53 Cb -0.03 -1.34 0.02 0.00 1.00 0.00 0.00 33.01 32.66 2k7k s GLN 53 CO 0.01 -0.78 0.24 0.41 -2.12 0.00 0.00 175.29 173.04 2k7k n GLY 54 N 5.29 1.09 3.77 3.09 0.00 -1.14 -3.68 105.19 113.60 2k7k n GLY 54 Ca -0.06 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.01 4.30 0.58 1.61 0.04 -1.26 -0.53 135.00 137.73 2k7k s PRO 55 Ca 0.05 1.99 0.28 0.00 0.04 0.00 0.00 61.00 63.36 2k7k s PRO 55 Cb -0.01 -2.95 1.56 0.00 0.04 0.00 0.00 34.50 33.14 2k7k s PRO 55 CO 0.01 -0.15 2.03 0.97 0.04 0.00 0.00 177.00 179.90 2k7k h ILE 56 N 2.78 0.49 0.00 0.56 2.10 -1.79 0.33 117.51 121.98 2k7k h ILE 56 Ca -0.48 0.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.40 2k7k h ILE 56 Cb 1.23 0.76 -0.01 0.00 -1.09 0.00 0.00 36.82 37.71 2k7k h ILE 56 CO 0.65 0.00 -0.29 0.28 -1.08 0.00 0.00 178.15 177.71 2k7k h SER 57 N 0.00 0.00 0.00 2.19 0.02 -1.91 -2.69 113.55 111.16 2k7k h SER 57 Ca 0.14 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.73 2k7k h SER 57 Cb 0.75 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.22 2k7k h SER 57 CO -0.00 0.29 -2.39 0.29 -1.14 0.00 0.00 176.83 173.88 2k7k n LYS 58 N -3.68 0.72 0.25 3.45 4.76 0.81 -4.34 118.16 120.12 2k7k n LYS 58 Ca -0.01 0.04 0.08 0.00 -2.87 0.00 0.00 58.31 55.55 2k7k n LYS 58 Cb 0.40 -1.51 0.61 0.00 -1.84 0.00 0.00 35.03 32.69 2k7k n LYS 58 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2k7k h VAL 59 N 0.00 1.00 0.00 -0.18 2.07 -0.56 -1.16 116.25 117.42 2k7k h VAL 59 Ca -0.55 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 2k7k h VAL 59 Cb 2.11 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 33.01 2k7k h VAL 59 CO -0.01 0.07 -0.16 -0.09 0.02 0.00 0.00 177.57 177.40 2k7k h ARG 60 N 0.00 0.00 0.00 1.57 9.65 -1.67 -2.52 114.38 121.41 2k7k h ARG 60 Ca -0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2k7k h ARG 60 Cb 0.13 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 2k7k h ARG 60 CO 0.01 0.16 -0.00 1.25 2.80 0.00 0.00 179.97 184.19 2k7k h HIS 61 N 0.00 -0.00 -0.28 2.20 2.76 -1.44 -3.16 115.15 115.22 2k7k h HIS 61 Ca -0.00 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.23 2k7k h HIS 61 Cb 0.39 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.29 2k7k h HIS 61 CO 0.00 0.88 -0.14 0.52 -1.30 0.00 0.00 177.93 177.89 2k7k h MET 62 N -0.93 -0.09 -0.81 5.26 2.86 -1.41 0.13 114.93 119.94 2k7k h MET 62 Ca -0.00 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.77 2k7k h MET 62 Cb 0.88 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.51 2k7k h MET 62 CO 0.00 -0.06 0.53 -0.56 1.06 0.00 0.00 176.91 177.88 2k7k h GLN 63 N -0.10 0.63 -0.77 1.72 3.07 -1.59 0.14 115.11 118.21 2k7k h GLN 63 Ca 0.15 -0.04 -0.30 0.00 0.09 0.00 0.00 58.65 58.55 2k7k h GLN 63 Cb 0.32 -0.14 -0.18 0.00 0.08 0.00 0.00 27.48 27.56 2k7k h GLN 63 CO -0.35 0.42 0.35 -0.85 0.09 0.00 0.00 178.83 178.49 2k7k n GLU 64 N -4.52 3.13 0.00 0.06 0.28 -0.26 -3.74 120.64 115.59 2k7k n GLU 64 Ca 0.15 -3.07 0.00 0.00 -0.16 0.00 0.00 57.16 54.08 2k7k n GLU 64 Cb 0.41 -2.17 0.00 0.00 1.43 0.00 0.00 31.44 31.12 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 -0.54 0.00 0.11 -1.84 -0.00 0.30 -4.75 117.44 110.72 2k7k n TRP 65 Ca 0.46 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.99 2k7k n TRP 65 Cb 1.44 0.05 -0.00 0.00 -0.00 0.00 0.00 31.31 32.79 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 -1.36 5.87 4.07 -1.15 0.23 115.31 122.97 2k7k h LEU 66 Ca 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 2k7k h LEU 66 Cb 0.60 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 2k7k h LEU 66 CO 0.00 0.44 -0.24 1.05 -1.08 0.00 0.00 178.44 178.61 2k7k h GLU 67 N 0.00 0.00 0.00 1.13 4.11 -1.75 -3.34 114.58 114.73 2k7k h GLU 67 Ca -0.05 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.23 2k7k h GLU 67 Cb 1.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 2k7k h GLU 67 CO 0.05 0.24 -1.53 -2.37 0.07 0.00 0.00 179.01 175.47 2k7k n THR 68 N -3.58 0.52 -3.76 -1.06 5.66 -1.24 -4.93 114.28 105.91 2k7k n THR 68 Ca -0.01 -0.18 -0.20 0.00 -3.05 0.00 0.00 64.05 60.61 2k7k n THR 68 Cb 0.38 -1.08 -0.02 0.00 -1.55 0.00 0.00 70.33 68.05 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 2.99 0.00 1.09 0.52 0.80 -4.94 118.95 117.23 2k7k s ARG 69 Ca -0.13 -1.09 0.00 0.00 -0.52 0.00 0.00 55.73 53.99 2k7k s ARG 69 Cb 0.04 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.84 2k7k s ARG 69 CO 0.20 0.17 0.00 0.41 0.02 0.00 0.00 175.30 176.10 2k7k n GLY 70 N -1.44 -1.18 3.60 -3.53 0.00 -1.26 -3.97 105.19 97.40 2k7k n GLY 70 Ca -0.03 0.45 -0.04 0.00 0.00 0.00 0.00 46.02 46.40 2k7k n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k7k s SER 71 N -1.52 -0.12 0.49 1.61 1.04 -1.26 -5.01 113.70 108.93 2k7k s SER 71 Ca 0.00 -0.01 0.28 0.00 0.48 0.00 0.00 55.95 56.70 2k7k s SER 71 Cb 0.00 0.13 1.17 0.00 0.10 0.00 0.00 66.02 67.42 2k7k s SER 71 CO 0.00 -0.21 1.92 1.55 0.98 0.00 0.00 173.24 177.48 2k7k h PRO 72 N 2.00 0.00 -0.94 4.02 0.13 -2.01 -2.97 132.00 132.23 2k7k h PRO 72 Ca -0.10 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.44 2k7k h PRO 72 Cb 1.16 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.00 2k7k h PRO 72 CO 0.23 0.14 0.61 1.63 -0.23 0.00 0.00 178.00 180.38 2k7k n LYS 73 N -3.34 2.61 -2.98 0.86 5.02 -1.26 -4.54 118.16 114.54 2k7k n LYS 73 Ca -0.00 -3.30 -0.14 0.00 -2.02 0.00 0.00 58.31 52.85 2k7k n LYS 73 Cb 0.36 -2.23 0.01 0.00 -0.02 0.00 0.00 35.03 33.15 2k7k n LYS 73 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2k7k n SER 74 N -0.97 0.06 -4.49 4.39 3.41 -1.12 -4.50 113.62 110.40 2k7k n SER 74 Ca 0.59 -3.08 -0.46 0.00 -0.26 0.00 0.00 58.87 55.66 2k7k n SER 74 Cb 0.96 0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.90 2k7k n SER 74 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2k7k n HIS 75 N 0.19 1.47 -1.85 7.33 8.25 -1.26 -4.79 115.22 124.57 2k7k n HIS 75 Ca 0.17 0.21 -0.42 0.00 -0.26 0.00 0.00 57.72 57.42 2k7k n HIS 75 Cb 0.71 -2.56 -0.01 0.00 1.12 0.00 0.00 29.99 29.25 2k7k n HIS 75 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2k7k n ILE 76 N 7.47 3.35 0.25 1.59 5.41 -1.26 -3.09 119.36 133.08 2k7k n ILE 76 Ca 0.42 -3.07 0.10 0.00 1.00 0.00 0.00 62.75 61.20 2k7k n ILE 76 Cb 0.29 -2.52 0.64 0.00 -0.71 0.00 0.00 39.64 37.34 2k7k n ILE 76 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2k7k h ASP 77 N 6.58 0.00 -2.32 4.38 3.32 -1.46 -3.41 116.42 123.51 2k7k h ASP 77 Ca 0.52 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.45 2k7k h ASP 77 Cb 0.70 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.96 2k7k h ASP 77 CO 1.80 0.14 -0.42 -0.75 -1.72 0.00 0.00 179.24 178.29 2k7k s LYS 78 N -4.40 0.32 0.04 3.56 2.36 -1.20 -4.99 119.74 115.43 2k7k s LYS 78 Ca -0.03 0.84 0.09 0.00 -2.55 0.00 0.00 55.97 54.31 2k7k s LYS 78 Cb 0.14 0.03 -0.03 0.00 -1.05 0.00 0.00 37.83 36.92 2k7k s LYS 78 CO 0.63 -0.39 -0.25 0.00 1.55 0.00 0.00 175.35 176.89 2k7k s ALA 79 N 2.58 2.15 -0.10 3.13 0.00 -1.26 -2.49 121.76 125.76 2k7k s ALA 79 Ca 0.04 -1.21 -0.32 0.00 0.00 0.00 0.00 51.96 50.47 2k7k s ALA 79 Cb -0.13 -0.46 0.12 0.00 0.00 0.00 0.00 23.12 22.65 2k7k s ALA 79 CO -0.13 0.51 1.05 1.21 0.00 0.00 0.00 175.76 178.39 2k7k s ASN 80 N -1.14 -0.26 0.59 0.00 3.84 -1.23 -5.09 114.94 111.64 2k7k s ASN 80 Ca 0.11 0.04 0.09 0.00 0.21 0.00 0.00 52.86 53.31 2k7k s ASN 80 Cb -0.10 0.27 0.09 0.00 -0.55 0.00 0.00 41.25 40.96 2k7k s ASN 80 CO 0.02 -0.42 0.78 2.22 -2.79 0.00 0.00 177.10 176.91 2k7k n PHE 81 N -0.07 -2.11 -3.94 0.43 1.16 -1.26 -3.46 117.46 108.21 2k7k n PHE 81 Ca -0.05 -2.18 -0.26 0.00 -1.87 0.00 0.00 57.45 53.09 2k7k n PHE 81 Cb 0.60 -0.55 -0.00 0.00 -1.61 0.00 0.00 39.48 37.91 2k7k n PHE 81 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 2k7k n ASN 82 N -2.27 2.80 -4.56 5.98 5.15 -1.23 -4.92 115.26 116.20 2k7k n ASN 82 Ca 0.15 -2.91 -0.22 0.00 -0.60 0.00 0.00 54.58 51.00 2k7k n ASN 82 Cb 0.61 -0.01 -0.06 0.00 -0.53 0.00 0.00 39.78 39.79 2k7k n ASN 82 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2k7k s ASN 83 N -4.18 4.66 0.25 1.20 2.47 -1.26 -4.82 114.94 113.26 2k7k s ASN 83 Ca 0.29 -0.32 -0.30 0.00 0.42 0.00 0.00 52.86 52.94 2k7k s ASN 83 Cb -0.02 -2.55 -0.14 0.00 -1.45 0.00 0.00 41.25 37.08 2k7k s ASN 83 CO 0.18 -3.16 1.21 1.21 -3.72 0.00 0.00 177.10 172.82 2k7k n GLU 84 N 8.86 1.63 -3.83 0.43 2.13 -1.26 -4.89 120.64 123.71 2k7k n GLU 84 Ca 0.42 0.58 -0.12 0.00 0.66 0.00 0.00 57.16 58.69 2k7k n GLU 84 Cb 0.46 -2.09 -0.09 0.00 0.27 0.00 0.00 31.44 29.98 2k7k n GLU 84 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2k7k s LYS 85 N -0.98 0.54 0.14 5.31 2.47 -1.07 -5.03 119.74 121.12 2k7k s LYS 85 Ca 0.64 -0.29 -0.14 0.00 -1.56 0.00 0.00 55.97 54.63 2k7k s LYS 85 Cb -0.70 0.23 -0.07 0.00 -1.46 0.00 0.00 37.83 35.83 2k7k s LYS 85 CO 0.55 -0.14 0.53 0.54 0.16 0.00 0.00 175.35 176.99 2k7k s VAL 86 N -1.29 4.89 0.32 4.02 0.11 -1.26 -0.11 120.40 127.07 2k7k s VAL 86 Ca -0.14 0.77 0.03 0.00 -2.93 0.00 0.00 61.98 59.72 2k7k s VAL 86 Cb -0.06 -3.72 -0.04 0.00 -1.53 0.00 0.00 36.38 31.02 2k7k s VAL 86 CO 0.02 0.25 0.14 0.27 -3.33 0.00 0.00 175.10 172.46 2k7k s ILE 87 N -1.45 0.45 0.01 7.04 -5.25 -1.23 -4.84 121.20 115.92 2k7k s ILE 87 Ca 0.37 -2.00 -0.12 0.00 -0.99 0.00 0.00 60.65 57.91 2k7k s ILE 87 Cb -0.15 -2.52 -0.07 0.00 2.95 0.00 0.00 42.46 42.67 2k7k s ILE 87 CO 0.19 0.00 0.88 -0.07 -1.79 0.00 0.00 174.94 174.15 2k7k h LEU 88 N 2.17 -0.38 0.00 0.37 3.38 -1.99 -3.44 115.31 115.42 2k7k h LEU 88 Ca -0.35 0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.43 2k7k h LEU 88 Cb 1.25 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 42.05 2k7k h LEU 88 CO 0.55 -0.20 -0.06 2.29 0.09 0.00 0.00 178.44 181.11 2k7k n LYS 89 N -3.59 0.70 -0.62 1.13 2.85 -1.26 -4.84 118.16 112.52 2k7k n LYS 89 Ca -0.06 -2.39 -0.30 0.00 -1.05 0.00 0.00 58.31 54.52 2k7k n LYS 89 Cb 0.18 2.41 0.21 0.00 -0.65 0.00 0.00 35.03 37.17 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 1.95 -0.04 -5.58 1.43 -1.26 -4.98 118.68 110.20 2k7k s LEU 90 Ca 0.24 1.91 0.06 0.00 -1.03 0.00 0.00 54.13 55.30 2k7k s LEU 90 Cb -0.02 -4.07 -0.09 0.00 0.03 0.00 0.00 46.19 42.05 2k7k s LEU 90 CO 0.17 -3.61 0.06 0.47 0.23 0.00 0.00 176.35 173.67 2k7k n ASP 91 N -4.55 3.47 -4.90 2.29 8.00 -1.26 -5.04 116.55 114.56 2k7k n ASP 91 Ca 0.08 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.37 2k7k n ASP 91 Cb 0.53 0.87 -0.03 0.00 -0.02 0.00 0.00 41.12 42.47 2k7k n ASP 91 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2k7k s TYR 92 N -2.26 3.08 -0.15 1.24 1.51 -1.26 -5.04 117.35 114.48 2k7k s TYR 92 Ca -0.03 -0.20 0.19 0.00 -1.01 0.00 0.00 57.07 56.02 2k7k s TYR 92 Cb 0.03 -1.74 -0.27 0.00 -0.11 0.00 0.00 41.96 39.86 2k7k s TYR 92 CO 0.26 0.23 0.19 0.45 -1.11 0.00 0.00 175.55 175.58 2k7k n SER 93 N -1.41 0.10 -3.49 2.29 2.88 -1.26 -4.99 113.62 107.75 2k7k n SER 93 Ca -0.04 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.38 2k7k n SER 93 Cb 0.59 1.29 -0.03 0.00 -0.75 0.00 0.00 64.21 65.30 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 -5.15 -0.51 0.21 -3.46 -4.77 -1.26 -5.02 116.67 96.71 2k7k s ASP 94 Ca -0.09 0.21 -0.32 0.00 -3.30 0.00 0.00 52.55 49.05 2k7k s ASP 94 Cb 0.08 0.49 -0.14 0.00 -1.09 0.00 0.00 42.92 42.26 2k7k s ASP 94 CO 0.84 -0.71 1.32 2.22 0.70 0.00 0.00 175.17 179.54 2k7k n PHE 95 N 0.09 1.82 -3.66 2.11 1.16 -1.26 -4.61 117.46 113.11 2k7k n PHE 95 Ca -0.14 0.52 -0.15 0.00 -1.87 0.00 0.00 57.45 55.82 2k7k n PHE 95 Cb 0.61 -2.39 -0.08 0.00 -1.61 0.00 0.00 39.48 36.01 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 -0.30 0.74 0.08 3.97 -1.52 -0.93 -4.96 119.66 116.74 2k7k s GLN 96 Ca 0.71 0.43 -0.10 0.00 -1.95 0.00 0.00 55.36 54.45 2k7k s GLN 96 Cb -0.74 0.35 -0.06 0.00 -0.22 0.00 0.00 33.01 32.35 2k7k s GLN 96 CO 0.50 -0.16 0.40 0.42 -0.25 0.00 0.00 175.29 176.20 2k7k s ILE 97 N -0.42 5.10 -0.14 1.08 1.01 -1.26 -3.86 121.20 122.72 2k7k s ILE 97 Ca -0.06 0.45 0.01 0.00 0.00 0.00 0.00 60.65 61.05 2k7k s ILE 97 Cb -0.03 -3.64 0.02 0.00 0.01 0.00 0.00 42.46 38.81 2k7k s ILE 97 CO 0.04 0.29 -0.15 -0.69 0.00 0.00 0.00 174.94 174.42 2k7k s VAL 98 N -1.39 1.61 -2.37 2.92 1.01 -1.17 -4.90 120.40 116.11 2k7k s VAL 98 Ca 0.33 -0.68 0.29 0.00 0.00 0.00 0.00 61.98 61.92 2k7k s VAL 98 Cb -0.14 -1.49 0.64 0.00 0.00 0.00 0.00 36.38 35.39 2k7k s VAL 98 CO 0.18 0.46 1.87 0.29 0.00 0.00 0.00 175.10 177.91