#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7k s ALA 2 N 0.00 2.54 -0.18 4.61 0.00 -1.26 -5.16 121.76 122.32 2k7k s ALA 2 Ca 0.00 -2.10 -0.09 0.00 0.00 0.00 0.00 51.96 49.77 2k7k s ALA 2 Cb 0.00 0.49 0.07 0.00 0.00 0.00 0.00 23.12 23.68 2k7k s ALA 2 CO 0.00 -0.24 0.42 -1.21 0.00 0.00 0.00 175.76 174.73 2k7k s GLU 3 N -3.83 0.38 0.00 0.00 2.02 -1.26 -5.06 118.70 110.95 2k7k s GLU 3 Ca 0.35 0.85 0.00 0.00 0.02 0.00 0.00 54.97 56.20 2k7k s GLU 3 Cb 0.08 0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.37 2k7k s GLU 3 CO 0.16 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.67 2k7k n GLY 4 N 4.52 3.71 3.04 -1.39 0.00 -1.26 -5.08 105.19 108.72 2k7k n GLY 4 Ca -0.20 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 43.83 2k7k n GLY 4 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k7k s ASN 5 N 0.00 4.30 -0.29 1.61 0.01 -1.26 -4.78 114.94 114.53 2k7k s ASN 5 Ca 0.00 -1.35 0.02 0.00 -0.71 0.00 0.00 52.86 50.82 2k7k s ASN 5 Cb 0.00 -1.45 0.19 0.00 0.41 0.00 0.00 41.25 40.39 2k7k s ASN 5 CO 0.00 -0.20 0.56 -0.89 -1.51 0.00 0.00 177.10 175.06 2k7k s THR 6 N 1.18 -0.94 0.43 1.60 2.01 -1.26 -5.09 115.64 113.56 2k7k s THR 6 Ca -0.08 -0.03 -0.26 0.00 0.31 0.00 0.00 61.69 61.63 2k7k s THR 6 Cb -0.20 -0.98 -0.09 0.00 0.01 0.00 0.00 72.50 71.24 2k7k s THR 6 CO -0.05 -0.03 1.38 -0.76 -0.69 0.00 0.00 174.62 174.47 2k7k s LEU 7 N 2.80 4.17 0.35 4.42 2.01 -1.26 -2.37 118.68 128.80 2k7k s LEU 7 Ca 0.15 2.83 -0.03 0.00 0.01 0.00 0.00 54.13 57.10 2k7k s LEU 7 Cb -0.13 -3.90 0.01 0.00 0.01 0.00 0.00 46.19 42.18 2k7k s LEU 7 CO -0.23 -1.02 0.50 0.27 1.01 0.00 0.00 176.35 176.87 2k7k s ILE 8 N -1.22 0.00 -0.03 -0.59 -5.25 0.85 -3.39 121.20 111.58 2k7k s ILE 8 Ca 0.59 -1.57 -0.06 0.00 -0.99 0.00 0.00 60.65 58.61 2k7k s ILE 8 Cb -0.42 -2.67 0.01 0.00 2.95 0.00 0.00 42.46 42.33 2k7k s ILE 8 CO 0.54 0.00 0.15 -0.94 -1.79 0.00 0.00 174.94 172.90 2k7k s SER 9 N -3.24 -0.07 -0.22 4.36 1.04 0.08 -2.48 113.70 113.17 2k7k s SER 9 Ca 0.30 0.05 -0.19 0.00 0.48 0.00 0.00 55.95 56.59 2k7k s SER 9 Cb -0.01 0.27 0.06 0.00 0.10 0.00 0.00 66.02 66.44 2k7k s SER 9 CO 0.21 -0.22 0.57 0.54 0.98 0.00 0.00 173.24 175.32 2k7k s VAL 10 N -0.67 -0.00 0.35 5.02 0.11 -1.14 -1.47 120.40 122.60 2k7k s VAL 10 Ca -0.08 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 58.93 2k7k s VAL 10 Cb -0.04 -0.80 0.08 0.00 -1.53 0.00 0.00 36.38 34.09 2k7k s VAL 10 CO 0.01 0.00 0.48 0.47 -3.33 0.00 0.00 175.10 172.73 2k7k n ASP 11 N 2.91 0.15 -3.51 3.54 9.92 -1.26 -2.50 116.55 125.79 2k7k n ASP 11 Ca -0.14 -1.24 -0.10 0.00 -0.53 0.00 0.00 54.79 52.78 2k7k n ASP 11 Cb 0.56 -0.36 -0.03 0.00 -0.64 0.00 0.00 41.12 40.66 2k7k n ASP 11 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2k7k s TYR 12 N -1.87 -0.39 -0.20 1.24 5.04 0.40 -3.62 117.35 117.95 2k7k s TYR 12 Ca 0.28 0.35 -0.17 0.00 -2.44 0.00 0.00 57.07 55.09 2k7k s TYR 12 Cb -0.01 0.52 0.05 0.00 0.35 0.00 0.00 41.96 42.87 2k7k s TYR 12 CO 0.19 -0.55 0.53 -2.00 -1.34 0.00 0.00 175.55 172.39 2k7k s GLU 13 N -2.72 0.61 -0.02 4.97 2.12 -1.22 -2.06 118.70 120.38 2k7k s GLU 13 Ca 0.02 0.78 0.02 0.00 0.36 0.00 0.00 54.97 56.14 2k7k s GLU 13 Cb -0.01 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.65 2k7k s GLU 13 CO -0.06 -0.09 -0.05 0.42 -0.54 0.00 0.00 175.26 174.94 2k7k s ILE 14 N 0.47 0.45 0.34 -3.70 -1.09 -1.24 -3.54 121.20 112.89 2k7k s ILE 14 Ca -0.02 -0.19 0.10 0.00 -2.23 0.00 0.00 60.65 58.31 2k7k s ILE 14 Cb -0.04 -0.42 -0.06 0.00 -1.58 0.00 0.00 42.46 40.36 2k7k s ILE 14 CO -0.02 0.15 -0.07 0.12 -1.23 0.00 0.00 174.94 173.89 2k7k s PHE 15 N 0.21 2.43 0.00 3.97 5.36 -1.22 -2.86 117.98 125.87 2k7k s PHE 15 Ca -0.02 -0.47 0.00 0.00 -0.96 0.00 0.00 56.93 55.48 2k7k s PHE 15 Cb -0.06 -1.38 0.00 0.00 -0.34 0.00 0.00 43.02 41.24 2k7k s PHE 15 CO -0.00 0.57 0.00 0.41 -1.46 0.00 0.00 175.22 174.74 2k7k n GLY 16 N -0.82 0.19 1.91 13.12 0.00 -1.26 -0.17 105.19 118.15 2k7k n GLY 16 Ca -0.05 -1.34 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 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 2.46 -1.40 1.61 3.00 -1.26 -4.66 118.16 117.91 2k7k n LYS 17 Ca 0.00 -2.44 -0.26 0.00 -0.00 0.00 0.00 58.31 55.61 2k7k n LYS 17 Cb 0.00 -1.98 -0.08 0.00 0.00 0.00 0.00 35.03 32.97 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 -0.54 3.68 -3.76 3.15 0.24 -1.26 -4.24 118.33 115.59 2k7k n VAL 18 Ca 0.43 -2.69 -0.17 0.00 -2.04 0.00 0.00 64.34 59.87 2k7k n VAL 18 Cb 1.35 -1.94 -0.17 0.00 -1.47 0.00 0.00 33.84 31.62 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 -0.26 0.00 -1.51 7.34 -2.07 -1.26 -4.69 119.66 117.22 2k7k s GLN 19 Ca 0.62 0.22 -0.13 0.00 -1.82 0.00 0.00 55.36 54.25 2k7k s GLN 19 Cb 0.30 -0.35 0.08 0.00 -1.09 0.00 0.00 33.01 31.96 2k7k s GLN 19 CO -0.11 -0.21 0.87 0.41 -1.32 0.00 0.00 175.29 174.93 2k7k n GLY 20 N 4.46 -0.50 0.78 2.60 0.00 -1.26 -4.86 105.19 106.41 2k7k n GLY 20 Ca -0.22 0.17 0.06 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.53 1.55 -2.40 1.61 0.24 -1.26 -4.96 118.33 108.58 2k7k n VAL 21 Ca 0.03 -2.48 -0.15 0.00 -2.04 0.00 0.00 64.34 59.70 2k7k n VAL 21 Cb 0.53 0.10 -0.01 0.00 -1.47 0.00 0.00 33.84 32.99 2k7k n VAL 21 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2k7k n PHE 22 N -0.70 -1.27 0.27 6.34 3.72 -1.26 -4.81 117.46 119.75 2k7k n PHE 22 Ca 0.15 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.67 2k7k n PHE 22 Cb 0.80 -3.09 0.77 0.00 -0.94 0.00 0.00 39.48 37.02 2k7k n PHE 22 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2k7k h PHE 23 N 0.00 0.00 -0.06 1.38 -5.15 -1.93 -1.96 116.94 109.22 2k7k h PHE 23 Ca -0.35 0.00 -0.19 0.00 -0.20 0.00 0.00 57.97 57.23 2k7k h PHE 23 Cb 1.25 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.42 2k7k h PHE 23 CO 0.65 0.08 -0.77 0.07 -2.00 0.00 0.00 178.31 176.34 2k7k h ARG 24 N 0.00 0.40 -0.39 6.09 0.11 -1.98 -2.47 114.38 116.14 2k7k h ARG 24 Ca -0.00 -0.35 0.06 0.00 0.10 0.00 0.00 59.98 59.79 2k7k h ARG 24 Cb 0.20 0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.34 2k7k h ARG 24 CO 0.01 0.99 0.27 -0.22 0.10 0.00 0.00 179.97 181.12 2k7k h LYS 25 N 0.26 0.27 0.00 0.08 1.63 -1.73 0.16 116.57 117.24 2k7k h LYS 25 Ca -0.04 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 2k7k h LYS 25 Cb 1.36 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.93 2k7k h LYS 25 CO 0.13 0.18 -0.26 0.45 -3.45 0.00 0.00 179.45 176.50 2k7k h HIS 26 N 0.28 0.00 -0.83 1.91 3.86 -1.57 -3.29 115.15 115.51 2k7k h HIS 26 Ca 0.17 0.00 0.20 0.00 -1.16 0.00 0.00 60.37 59.58 2k7k h HIS 26 Cb 0.33 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.75 2k7k h HIS 26 CO -0.00 0.27 0.56 1.15 0.86 0.00 0.00 177.93 180.77 2k7k h THR 27 N -1.00 0.69 0.96 2.45 2.02 -1.35 0.19 112.91 116.87 2k7k h THR 27 Ca -0.03 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 2k7k h THR 27 Cb 0.40 0.36 0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2k7k h THR 27 CO -0.02 0.05 -0.46 -0.61 0.37 0.00 0.00 175.52 174.86 2k7k h GLN 28 N 0.30 -1.24 -0.57 6.66 4.15 -0.82 0.22 115.11 123.80 2k7k h GLN 28 Ca 0.42 0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.85 2k7k h GLN 28 Cb 1.18 0.28 -0.02 0.00 0.21 0.00 0.00 27.48 29.12 2k7k h GLN 28 CO -0.12 -0.83 0.08 0.00 -1.93 0.00 0.00 178.83 176.03 2k7k h ALA 29 N -1.39 1.06 0.00 3.38 0.00 -1.48 -2.36 119.26 118.47 2k7k h ALA 29 Ca -0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 2k7k h ALA 29 Cb 0.99 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2k7k h ALA 29 CO 0.22 0.60 -0.20 1.49 0.00 0.00 0.00 179.25 181.35 2k7k h GLU 30 N 0.87 0.00 -0.10 0.00 4.81 -0.57 0.17 114.58 119.76 2k7k h GLU 30 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2k7k h GLU 30 Cb 0.41 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 2k7k h GLU 30 CO 0.01 0.20 0.06 0.78 -0.73 0.00 0.00 179.01 179.34 2k7k h GLY 31 N 1.06 0.14 0.00 1.92 0.00 0.00 -0.33 103.07 105.86 2k7k h GLY 31 Ca -0.00 -0.05 -0.23 0.00 0.00 0.00 0.00 47.33 47.04 2k7k h GLY 31 CO 0.03 0.05 -1.88 1.17 0.00 0.00 0.00 176.54 175.90 2k7k n LYS 32 N -4.52 1.51 -0.03 4.80 4.81 -1.00 -2.54 118.16 121.20 2k7k n LYS 32 Ca -0.02 0.02 -0.03 0.00 -0.87 0.00 0.00 58.31 57.42 2k7k n LYS 32 Cb 0.09 -1.33 0.21 0.00 0.02 0.00 0.00 35.03 34.02 2k7k n LYS 32 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2k7k h LYS 33 N 0.00 0.59 0.18 1.64 1.57 -0.62 -3.15 116.57 116.79 2k7k h LYS 33 Ca -0.35 -0.17 -0.35 0.00 -1.87 0.00 0.00 60.65 57.91 2k7k h LYS 33 Cb 1.72 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.98 2k7k h LYS 33 CO -0.00 0.69 -1.72 1.25 -0.57 0.00 0.00 179.45 179.10 2k7k h LEU 34 N 0.55 0.61 0.00 2.94 7.12 -1.27 -3.48 115.31 121.77 2k7k h LEU 34 Ca 0.10 -0.93 0.00 0.00 0.13 0.00 0.00 57.88 57.18 2k7k h LEU 34 Cb 0.51 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 2k7k h LEU 34 CO 0.03 1.78 0.00 0.61 -0.13 0.00 0.00 178.44 180.73 2k7k n GLY 35 N 1.85 1.46 1.85 3.75 0.00 -1.19 -4.96 105.19 107.95 2k7k n GLY 35 Ca -0.25 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 0.01 0.00 0.99 -0.00 -1.17 -4.81 117.00 112.03 2k7k n LEU 36 Ca 0.00 0.33 -0.13 0.00 -0.00 0.00 0.00 56.01 56.21 2k7k n LEU 36 Cb 0.00 0.23 -0.03 0.00 -0.00 0.00 0.00 43.42 43.62 2k7k n LEU 36 CO 0.00 -0.69 0.14 1.33 -0.00 0.00 0.00 177.39 178.16 2k7k n VAL 37 N -3.24 0.00 0.00 1.96 0.24 -1.05 -4.04 118.33 112.19 2k7k n VAL 37 Ca 0.00 -1.57 0.00 0.00 -2.04 0.00 0.00 64.34 60.73 2k7k n VAL 37 Cb 0.02 0.95 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 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 -0.50 3.81 4.02 7.63 0.00 -1.26 -3.32 105.19 115.57 2k7k n GLY 38 Ca 0.01 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.45 1.91 -0.20 1.61 -2.14 -1.17 -3.96 118.94 114.53 2k7k s TRP 39 Ca 0.00 -0.56 -0.08 0.00 2.66 0.00 0.00 56.10 58.12 2k7k s TRP 39 Cb 0.00 -2.34 0.09 0.00 -3.10 0.00 0.00 33.47 28.11 2k7k s TRP 39 CO 0.00 -0.96 0.43 0.14 -2.66 0.00 0.00 176.95 173.90 2k7k s VAL 40 N -2.61 -0.55 0.55 -0.66 -7.23 -1.25 -2.96 120.40 105.68 2k7k s VAL 40 Ca 0.60 0.15 0.05 0.00 -1.81 0.00 0.00 61.98 60.96 2k7k s VAL 40 Cb -0.07 -0.67 0.04 0.00 0.56 0.00 0.00 36.38 36.23 2k7k s VAL 40 CO 0.38 0.06 0.36 -1.10 -0.31 0.00 0.00 175.10 174.48 2k7k s GLN 41 N 2.41 2.24 0.03 4.82 -0.21 -1.06 -1.06 119.66 126.83 2k7k s GLN 41 Ca -0.03 -2.09 0.08 0.00 0.02 0.00 0.00 55.36 53.34 2k7k s GLN 41 Cb -0.11 -2.02 -0.02 0.00 1.00 0.00 0.00 33.01 31.86 2k7k s GLN 41 CO -0.13 -0.61 -0.25 1.21 -2.12 0.00 0.00 175.29 173.39 2k7k s ASN 42 N -4.24 2.92 0.38 5.90 3.84 -1.26 -2.31 114.94 120.16 2k7k s ASN 42 Ca 0.29 -0.53 0.08 0.00 0.21 0.00 0.00 52.86 52.91 2k7k s ASN 42 Cb -0.02 -0.28 -0.06 0.00 -0.55 0.00 0.00 41.25 40.34 2k7k s ASN 42 CO 0.18 0.25 0.08 0.42 -2.79 0.00 0.00 177.10 175.24 2k7k s THR 43 N -0.73 2.41 -0.01 -5.21 -4.23 -1.10 -4.93 115.64 101.84 2k7k s THR 43 Ca 0.10 -1.86 0.11 0.00 -1.18 0.00 0.00 61.69 58.86 2k7k s THR 43 Cb -0.10 -2.91 -0.22 0.00 1.34 0.00 0.00 72.50 70.61 2k7k s THR 43 CO 0.01 -0.09 0.82 0.44 -0.54 0.00 0.00 174.62 175.26 2k7k h ASP 44 N 1.65 0.00 -0.27 3.99 3.32 -2.01 -3.33 116.42 119.76 2k7k h ASP 44 Ca -0.43 0.00 0.08 0.00 0.02 0.00 0.00 57.03 56.70 2k7k h ASP 44 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 2k7k h ASP 44 CO 0.70 0.98 0.28 0.03 -1.72 0.00 0.00 179.24 179.52 2k7k h ARG 45 N 0.00 0.00 0.00 3.56 2.47 -2.05 -3.44 114.38 114.92 2k7k h ARG 45 Ca -0.22 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 2k7k h ARG 45 Cb 1.94 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.26 2k7k h ARG 45 CO 0.09 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.03 2k7k n GLY 46 N -1.46 1.59 3.46 0.04 0.00 -1.25 -5.13 105.19 102.44 2k7k n GLY 46 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 2.44 -0.33 2.61 -4.23 -1.26 -4.55 115.64 108.32 2k7k s THR 47 Ca 0.00 -2.31 -0.09 0.00 -1.18 0.00 0.00 61.69 58.11 2k7k s THR 47 Cb 0.00 -2.25 0.01 0.00 1.34 0.00 0.00 72.50 71.60 2k7k s THR 47 CO 0.00 -0.33 0.14 -0.69 -0.54 0.00 0.00 174.62 173.20 2k7k s VAL 48 N -2.29 4.27 0.26 2.29 1.01 -1.13 -2.72 120.40 122.09 2k7k s VAL 48 Ca 0.28 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 2k7k s VAL 48 Cb -0.06 -3.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.95 2k7k s VAL 48 CO 0.14 -0.05 1.26 -1.58 0.00 0.00 0.00 175.10 174.87 2k7k s GLN 49 N 1.53 4.44 -0.21 2.72 0.74 -0.98 -3.70 119.66 124.20 2k7k s GLN 49 Ca 0.02 2.05 -0.04 0.00 0.05 0.00 0.00 55.36 57.45 2k7k s GLN 49 Cb -0.18 -3.15 0.09 0.00 1.10 0.00 0.00 33.01 30.87 2k7k s GLN 49 CO 0.05 -0.12 0.21 0.20 -0.55 0.00 0.00 175.29 175.08 2k7k s GLY 50 N -0.24 0.04 -0.38 2.59 0.00 -0.87 -2.58 107.32 105.88 2k7k s GLY 50 Ca 0.51 0.10 -0.08 0.00 0.00 0.00 0.00 44.72 45.26 2k7k s GLY 50 CO 0.44 2.16 0.19 1.62 0.00 0.00 0.00 173.10 177.51 2k7k s GLN 51 N 2.30 2.60 -0.04 2.90 2.00 -1.16 -0.46 119.66 127.81 2k7k s GLN 51 Ca 0.07 -1.33 -0.03 0.00 -2.00 0.00 0.00 55.36 52.07 2k7k s GLN 51 Cb -0.16 -3.64 -0.04 0.00 0.80 0.00 0.00 33.01 29.97 2k7k s GLN 51 CO -0.15 -0.82 0.11 -1.17 -0.50 0.00 0.00 175.29 172.76 2k7k s LEU 52 N 1.41 4.10 0.41 3.68 2.96 -1.04 -3.05 118.68 127.14 2k7k s LEU 52 Ca 0.01 0.27 0.07 0.00 -0.22 0.00 0.00 54.13 54.26 2k7k s LEU 52 Cb -0.21 -2.28 -0.08 0.00 0.50 0.00 0.00 46.19 44.12 2k7k s LEU 52 CO 0.03 0.31 0.01 -1.10 -1.32 0.00 0.00 176.35 174.28 2k7k s GLN 53 N -1.55 1.94 0.00 1.98 -0.21 -1.21 -2.89 119.66 117.71 2k7k s GLN 53 Ca 0.21 -2.10 0.00 0.00 0.02 0.00 0.00 55.36 53.49 2k7k s GLN 53 Cb -0.12 -1.57 0.00 0.00 1.00 0.00 0.00 33.01 32.32 2k7k s GLN 53 CO 0.12 -0.07 0.00 0.41 -2.12 0.00 0.00 175.29 173.63 2k7k n GLY 54 N -0.95 0.68 3.77 3.09 0.00 -1.04 -4.28 105.19 106.46 2k7k n GLY 54 Ca -0.05 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.47 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 -1.09 4.41 0.61 1.61 0.04 -1.26 -0.10 135.00 139.21 2k7k s PRO 55 Ca 0.00 2.04 0.31 0.00 0.04 0.00 0.00 61.00 63.39 2k7k s PRO 55 Cb 0.00 -3.06 1.74 0.00 0.04 0.00 0.00 34.50 33.23 2k7k s PRO 55 CO 0.00 -0.08 2.10 0.97 0.04 0.00 0.00 177.00 180.04 2k7k h ILE 56 N 2.96 0.35 0.00 0.56 2.10 -1.80 0.33 117.51 122.02 2k7k h ILE 56 Ca -0.48 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.42 2k7k h ILE 56 Cb 1.22 0.83 -0.01 0.00 -1.09 0.00 0.00 36.82 37.77 2k7k h ILE 56 CO 0.65 0.00 -0.18 -1.28 -1.08 0.00 0.00 178.15 176.27 2k7k h SER 57 N 0.00 0.00 0.00 2.19 0.87 -1.86 -2.89 113.55 111.86 2k7k h SER 57 Ca 0.07 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.30 2k7k h SER 57 Cb 0.48 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.38 2k7k h SER 57 CO -0.00 0.18 -2.25 1.17 -0.53 0.00 0.00 176.83 175.40 2k7k n LYS 58 N -3.29 0.68 0.31 2.24 3.00 0.83 -4.38 118.16 117.55 2k7k n LYS 58 Ca 0.01 0.10 0.18 0.00 -0.00 0.00 0.00 58.31 58.60 2k7k n LYS 58 Cb 0.43 -1.44 1.03 0.00 0.00 0.00 0.00 35.03 35.05 2k7k n LYS 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2k7k h VAL 59 N 0.00 0.27 0.00 3.15 2.07 -0.65 0.71 116.25 121.80 2k7k h VAL 59 Ca -0.49 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2k7k h VAL 59 Cb 1.83 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2k7k h VAL 59 CO -0.06 0.01 0.00 -1.14 0.02 0.00 0.00 177.57 176.41 2k7k n ARG 60 N -3.45 0.43 -0.12 1.57 3.00 -1.09 -3.33 116.66 113.66 2k7k n ARG 60 Ca -0.03 0.04 -0.24 0.00 -0.00 0.00 0.00 57.85 57.62 2k7k n ARG 60 Cb 0.10 -1.50 -0.09 0.00 0.00 0.00 0.00 32.46 30.97 2k7k n ARG 60 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2k7k n HIS 61 N -1.25 0.40 -0.10 -0.14 8.25 0.24 -3.98 115.22 118.63 2k7k n HIS 61 Ca 0.13 0.17 -0.06 0.00 -0.26 0.00 0.00 57.72 57.71 2k7k n HIS 61 Cb 0.19 -0.98 0.01 0.00 1.12 0.00 0.00 29.99 30.33 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 -0.06 -0.17 -0.41 1.85 -1.61 0.11 114.93 113.64 2k7k h MET 62 Ca -0.48 0.00 0.05 0.00 -0.61 0.00 0.00 59.70 58.66 2k7k h MET 62 Cb 1.39 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 33.43 2k7k h MET 62 CO -0.29 -0.04 0.13 -0.56 -0.40 0.00 0.00 176.91 175.74 2k7k h GLN 63 N -0.07 0.00 -1.02 0.39 3.07 -1.78 -0.30 115.11 115.40 2k7k h GLN 63 Ca 0.18 0.00 -0.49 0.00 0.09 0.00 0.00 58.65 58.42 2k7k h GLN 63 Cb 0.34 0.00 -0.27 0.00 0.08 0.00 0.00 27.48 27.62 2k7k h GLN 63 CO -0.40 0.00 0.63 0.39 0.09 0.00 0.00 178.83 179.54 2k7k n GLU 64 N -4.39 2.20 0.00 0.06 1.02 0.34 -4.11 120.64 115.75 2k7k n GLU 64 Ca 0.01 -2.74 0.00 0.00 -0.02 0.00 0.00 57.16 54.41 2k7k n GLU 64 Cb 0.26 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 2k7k n GLU 64 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 2k7k n TRP 65 N -0.91 0.00 1.08 -0.32 -0.00 -0.16 -4.75 117.44 112.38 2k7k n TRP 65 Ca 0.54 0.00 0.12 0.00 -0.00 0.00 0.00 57.50 58.16 2k7k n TRP 65 Cb 1.37 0.13 0.59 0.00 -0.00 0.00 0.00 31.31 33.40 2k7k n TRP 65 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2k7k n LEU 66 N -2.04 0.00 -0.01 5.87 7.99 -0.97 -1.37 117.00 126.48 2k7k n LEU 66 Ca 0.00 0.32 -0.02 0.00 -0.01 0.00 0.00 56.01 56.30 2k7k n LEU 66 Cb 0.12 -0.32 -0.12 0.00 -0.11 0.00 0.00 43.42 43.00 2k7k n LEU 66 CO 0.00 -0.07 -0.56 -1.84 -1.51 0.00 0.00 177.39 173.41 2k7k n GLU 67 N -1.32 0.64 -0.01 3.23 0.28 -1.26 -4.26 120.64 117.95 2k7k n GLU 67 Ca 0.10 0.14 -0.01 0.00 -0.16 0.00 0.00 57.16 57.23 2k7k n GLU 67 Cb 0.20 -1.71 -0.00 0.00 1.43 0.00 0.00 31.44 31.36 2k7k n GLU 67 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2k7k n THR 68 N -2.81 0.24 0.00 3.84 -2.24 -1.11 -4.85 114.28 107.34 2k7k n THR 68 Ca -0.15 0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 2k7k n THR 68 Cb 0.91 -1.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 2k7k n THR 68 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2k7k n ARG 69 N -2.78 0.00 0.00 -0.78 5.12 -0.47 -4.84 116.66 112.91 2k7k n ARG 69 Ca -0.02 0.48 0.00 0.00 -1.93 0.00 0.00 57.85 56.38 2k7k n ARG 69 Cb 0.06 -1.27 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 2k7k n ARG 69 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k7k n GLY 70 N -0.87 2.66 3.64 -0.13 0.00 -1.22 -4.87 105.19 104.41 2k7k n GLY 70 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 2k7k n GLY 70 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k7k s SER 71 N -4.00 -0.02 0.42 1.61 0.15 -1.23 -4.93 113.70 105.70 2k7k s SER 71 Ca 0.00 -0.00 0.21 0.00 0.70 0.00 0.00 55.95 56.86 2k7k s SER 71 Cb 0.00 0.02 0.91 0.00 -1.71 0.00 0.00 66.02 65.24 2k7k s SER 71 CO 0.00 -0.04 1.84 1.55 1.20 0.00 0.00 173.24 177.79 2k7k h PRO 72 N 2.00 0.00 0.00 5.44 0.13 -2.01 -3.09 132.00 134.48 2k7k h PRO 72 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2k7k h PRO 72 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2k7k h PRO 72 CO 0.19 0.28 -0.79 0.36 -0.23 0.00 0.00 178.00 177.82 2k7k n LYS 73 N -3.60 2.44 -3.17 0.86 2.85 -1.26 -4.69 118.16 111.60 2k7k n LYS 73 Ca -0.01 -0.03 -0.31 0.00 -1.05 0.00 0.00 58.31 56.92 2k7k n LYS 73 Cb 0.42 -1.12 -0.05 0.00 -0.65 0.00 0.00 35.03 33.63 2k7k n LYS 73 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2k7k n SER 74 N -1.43 4.69 -4.42 -5.58 7.64 -1.17 -4.32 113.62 109.03 2k7k n SER 74 Ca 0.01 -3.53 -0.33 0.00 1.01 0.00 0.00 58.87 56.04 2k7k n SER 74 Cb 0.22 -0.78 0.12 0.00 -1.01 0.00 0.00 64.21 62.76 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 0.56 -1.40 -3.79 1.43 -0.00 -1.24 -3.55 115.22 107.23 2k7k n HIS 75 Ca 0.31 0.24 -0.32 0.00 0.46 0.00 0.00 57.72 58.41 2k7k n HIS 75 Cb 0.38 -1.79 -0.10 0.00 -0.12 0.00 0.00 29.99 28.36 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 -2.40 3.52 0.34 3.57 1.01 -1.26 -4.13 121.20 121.85 2k7k s ILE 76 Ca 0.57 -3.99 0.18 0.00 0.00 0.00 0.00 60.65 57.41 2k7k s ILE 76 Cb -0.21 -3.25 0.16 0.00 0.01 0.00 0.00 42.46 39.17 2k7k s ILE 76 CO 0.67 -1.02 1.88 -0.78 0.00 0.00 0.00 174.94 175.69 2k7k h ASP 77 N 5.79 0.00 -0.73 3.58 1.82 -0.93 -3.42 116.42 122.54 2k7k h ASP 77 Ca 0.13 0.00 0.11 0.00 -0.39 0.00 0.00 57.03 56.88 2k7k h ASP 77 Cb 0.80 0.00 -0.20 0.00 0.68 0.00 0.00 39.33 40.60 2k7k h ASP 77 CO 0.77 0.29 -0.20 -0.75 -1.61 0.00 0.00 179.24 177.74 2k7k s LYS 78 N -4.07 0.41 -0.48 0.28 2.47 -1.25 -4.94 119.74 112.16 2k7k s LYS 78 Ca -0.02 0.51 -0.10 0.00 -1.56 0.00 0.00 55.97 54.80 2k7k s LYS 78 Cb 0.13 0.26 0.12 0.00 -1.46 0.00 0.00 37.83 36.88 2k7k s LYS 78 CO 0.68 -0.66 0.36 0.00 0.16 0.00 0.00 175.35 175.88 2k7k s ALA 79 N 2.88 3.42 0.07 3.13 0.00 -1.26 -3.43 121.76 126.57 2k7k s ALA 79 Ca 0.15 -2.53 0.08 0.00 0.00 0.00 0.00 51.96 49.66 2k7k s ALA 79 Cb -0.09 -2.87 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 2k7k s ALA 79 CO -0.22 -1.92 -0.22 1.21 0.00 0.00 0.00 175.76 174.61 2k7k s ASN 80 N 2.77 2.62 0.61 0.00 2.47 -1.23 -4.95 114.94 117.23 2k7k s ASN 80 Ca 0.05 -0.59 0.01 0.00 0.42 0.00 0.00 52.86 52.75 2k7k s ASN 80 Cb -0.27 -0.20 0.10 0.00 -1.45 0.00 0.00 41.25 39.44 2k7k s ASN 80 CO -0.00 0.14 0.69 2.22 -3.72 0.00 0.00 177.10 176.43 2k7k n PHE 81 N 1.56 -3.00 -4.60 0.43 1.16 -1.26 -3.42 117.46 108.33 2k7k n PHE 81 Ca -0.18 -1.27 -0.29 0.00 -1.87 0.00 0.00 57.45 53.84 2k7k n PHE 81 Cb 0.53 -0.50 -0.10 0.00 -1.61 0.00 0.00 39.48 37.81 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 -3.83 4.01 -0.89 5.98 2.47 -1.24 -4.92 114.94 116.52 2k7k s ASN 82 Ca 0.46 -1.42 -0.25 0.00 0.42 0.00 0.00 52.86 52.07 2k7k s ASN 82 Cb -0.03 -0.14 -0.07 0.00 -1.45 0.00 0.00 41.25 39.56 2k7k s ASN 82 CO 0.31 -0.58 2.05 0.20 -3.72 0.00 0.00 177.10 175.36 2k7k s ASN 83 N -3.78 4.84 0.50 -4.21 0.01 -1.26 -4.75 114.94 106.28 2k7k s ASN 83 Ca 0.28 -0.57 -0.21 0.00 -0.71 0.00 0.00 52.86 51.65 2k7k s ASN 83 Cb 0.07 -2.56 -0.09 0.00 0.41 0.00 0.00 41.25 39.08 2k7k s ASN 83 CO 0.14 -3.04 0.85 1.21 -1.51 0.00 0.00 177.10 174.75 2k7k n GLU 84 N 8.81 0.97 -3.88 -0.60 2.13 -1.26 -4.90 120.64 121.91 2k7k n GLU 84 Ca 0.42 0.36 -0.09 0.00 0.66 0.00 0.00 57.16 58.51 2k7k n GLU 84 Cb 0.46 -1.95 -0.08 0.00 0.27 0.00 0.00 31.44 30.14 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 -2.20 0.82 0.33 5.31 -2.85 -0.54 -5.00 119.74 115.61 2k7k s LYS 85 Ca 0.68 -0.98 -0.05 0.00 -1.00 0.00 0.00 55.97 54.62 2k7k s LYS 85 Cb -0.50 0.33 -0.05 0.00 -2.06 0.00 0.00 37.83 35.55 2k7k s LYS 85 CO 0.54 -0.25 0.61 0.08 0.10 0.00 0.00 175.35 176.43 2k7k s VAL 86 N -3.83 4.98 0.20 1.79 1.01 -1.26 -0.74 120.40 122.56 2k7k s VAL 86 Ca 0.05 0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.93 2k7k s VAL 86 Cb 0.05 -3.76 0.04 0.00 0.00 0.00 0.00 36.38 32.71 2k7k s VAL 86 CO -0.11 -0.43 0.60 0.27 0.00 0.00 0.00 175.10 175.42 2k7k s ILE 87 N -2.22 0.01 0.00 2.22 -5.25 -1.22 -4.87 121.20 109.87 2k7k s ILE 87 Ca 0.45 -0.58 0.00 0.00 -0.99 0.00 0.00 60.65 59.53 2k7k s ILE 87 Cb -0.10 -1.49 0.00 0.00 2.95 0.00 0.00 42.46 43.82 2k7k s ILE 87 CO 0.32 -0.05 0.87 0.18 -1.79 0.00 0.00 174.94 174.47 2k7k n LEU 88 N -0.38 0.00 0.00 0.37 4.77 -1.26 -4.65 117.00 115.85 2k7k n LEU 88 Ca -0.11 0.87 -0.13 0.00 -0.03 0.00 0.00 56.01 56.61 2k7k n LEU 88 Cb 0.62 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2k7k n LEU 88 CO 0.15 -0.37 0.09 2.29 -1.33 0.00 0.00 177.39 178.22 2k7k n LYS 89 N -1.95 0.53 -0.54 3.23 2.85 -1.26 -4.80 118.16 116.22 2k7k n LYS 89 Ca 0.00 -2.43 -0.30 0.00 -1.05 0.00 0.00 58.31 54.54 2k7k n LYS 89 Cb 0.00 2.25 0.22 0.00 -0.65 0.00 0.00 35.03 36.85 2k7k n LYS 89 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2k7k n LEU 90 N 0.00 -2.03 -0.04 -5.58 4.77 -1.26 -4.99 117.00 107.88 2k7k n LEU 90 Ca 0.02 -0.23 -0.04 0.00 -0.03 0.00 0.00 56.01 55.73 2k7k n LEU 90 Cb 0.49 -1.07 -0.05 0.00 -2.33 0.00 0.00 43.42 40.46 2k7k n LEU 90 CO 0.25 -3.32 -0.74 0.47 -1.33 0.00 0.00 177.39 172.72 2k7k n ASP 91 N -3.44 3.32 -4.58 -1.43 9.92 -1.26 -4.99 116.55 114.09 2k7k n ASP 91 Ca 0.02 -0.01 -0.34 0.00 -0.53 0.00 0.00 54.79 53.93 2k7k n ASP 91 Cb 0.58 0.49 -0.11 0.00 -0.64 0.00 0.00 41.12 41.44 2k7k n ASP 91 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2k7k s TYR 92 N -2.17 3.13 -1.67 1.24 6.14 -1.26 -4.98 117.35 117.79 2k7k s TYR 92 Ca -0.05 -0.07 0.31 0.00 0.64 0.00 0.00 57.07 57.89 2k7k s TYR 92 Cb 0.02 -1.96 1.60 0.00 0.42 0.00 0.00 41.96 42.04 2k7k s TYR 92 CO 0.26 0.13 2.08 0.45 0.64 0.00 0.00 175.55 179.11 2k7k n SER 93 N 3.25 0.09 -1.50 4.32 2.88 -1.26 -4.79 113.62 116.62 2k7k n SER 93 Ca -0.17 -0.51 -0.03 0.00 -1.33 0.00 0.00 58.87 56.83 2k7k n SER 93 Cb 0.53 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 2k7k n SER 93 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2k7k n ASP 94 N -1.12 -0.57 -4.25 -3.46 2.03 -1.26 -5.05 116.55 102.88 2k7k n ASP 94 Ca 0.18 -1.46 -0.33 0.00 0.52 0.00 0.00 54.79 53.70 2k7k n ASP 94 Cb 0.21 0.97 -0.16 0.00 -0.72 0.00 0.00 41.12 41.41 2k7k n ASP 94 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2k7k s PHE 95 N -6.51 2.69 0.32 -0.67 -0.71 -1.26 -3.99 117.98 107.86 2k7k s PHE 95 Ca 0.05 -1.05 -0.09 0.00 -1.04 0.00 0.00 56.93 54.80 2k7k s PHE 95 Cb -0.01 -1.81 0.01 0.00 -1.21 0.00 0.00 43.02 40.00 2k7k s PHE 95 CO 0.04 -0.45 0.56 -0.65 -1.34 0.00 0.00 175.22 173.38 2k7k s GLN 96 N 0.60 1.88 0.00 1.99 -1.52 -1.25 -4.98 119.66 116.37 2k7k s GLN 96 Ca -0.11 -1.51 0.04 0.00 -1.95 0.00 0.00 55.36 51.83 2k7k s GLN 96 Cb -0.16 0.50 -0.03 0.00 -0.22 0.00 0.00 33.01 33.10 2k7k s GLN 96 CO 0.03 -0.81 -0.08 0.42 -0.25 0.00 0.00 175.29 174.60 2k7k s ILE 97 N -3.19 3.51 -0.08 1.08 1.01 -1.26 -3.95 121.20 118.32 2k7k s ILE 97 Ca 0.24 -0.81 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 2k7k s ILE 97 Cb -0.02 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.89 2k7k s ILE 97 CO 0.14 0.40 0.29 -0.69 0.00 0.00 0.00 174.94 175.09 2k7k s VAL 98 N -0.97 5.25 -2.00 2.92 1.01 -0.22 -4.91 120.40 121.48 2k7k s VAL 98 Ca 0.16 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.71 2k7k s VAL 98 Cb -0.11 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.69 2k7k s VAL 98 CO 0.07 0.55 0.51 2.29 0.00 0.00 0.00 175.10 178.52