#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d6k n PHE 2 N 0.00 -1.67 -2.94 3.17 3.72 -1.26 -4.48 117.46 114.00 1d6k n PHE 2 Ca 0.00 0.76 -0.41 0.00 -0.05 0.00 0.00 57.45 57.75 1d6k n PHE 2 Cb 0.00 -3.49 -0.04 0.00 -0.94 0.00 0.00 39.48 35.01 1d6k n PHE 2 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1d6k s THR 3 N -3.79 4.96 -0.62 4.37 2.01 -1.26 -1.82 115.64 119.49 1d6k s THR 3 Ca 0.21 1.61 0.05 0.00 0.31 0.00 0.00 61.69 63.87 1d6k s THR 3 Cb -0.12 -4.12 0.16 0.00 0.01 0.00 0.00 72.50 68.44 1d6k s THR 3 CO 0.90 0.17 0.43 -0.63 -0.69 0.00 0.00 174.62 174.80 1d6k s ILE 4 N 1.26 2.28 -0.09 1.82 -1.09 0.31 -4.87 121.20 120.82 1d6k s ILE 4 Ca 0.40 -3.80 -0.29 0.00 -2.23 0.00 0.00 60.65 54.73 1d6k s ILE 4 Cb -0.18 -2.52 -0.06 0.00 -1.58 0.00 0.00 42.46 38.12 1d6k s ILE 4 CO 0.18 -1.03 1.96 0.20 -1.23 0.00 0.00 174.94 175.02 1d6k s ASN 5 N -0.98 6.15 0.00 3.58 -0.87 -1.26 -3.24 114.94 118.31 1d6k s ASN 5 Ca 0.26 2.23 0.00 0.00 -1.57 0.00 0.00 52.86 53.78 1d6k s ASN 5 Cb -0.05 -2.52 0.00 0.00 -0.02 0.00 0.00 41.25 38.65 1d6k s ASN 5 CO -0.15 -1.35 0.00 0.00 -2.57 0.00 0.00 177.10 173.02 1d6k n ALA 6 N 8.92 0.00 -3.42 0.60 0.00 -0.69 -4.39 120.51 121.53 1d6k n ALA 6 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.53 1d6k n ALA 6 Cb 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 1d6k n ALA 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1d6k s GLU 7 N 0.58 0.62 0.35 0.00 -1.05 -0.82 -1.56 118.70 116.83 1d6k s GLU 7 Ca 0.00 0.68 -0.29 0.00 -0.15 0.00 0.00 54.97 55.21 1d6k s GLU 7 Cb 0.00 0.30 -0.11 0.00 -0.44 0.00 0.00 34.13 33.89 1d6k s GLU 7 CO 0.00 -0.08 1.42 0.14 0.95 0.00 0.00 175.26 177.68 1d6k s VAL 8 N 0.18 2.36 0.01 1.83 -7.23 -1.26 -0.57 120.40 115.71 1d6k s VAL 8 Ca -0.01 0.36 -0.00 0.00 -1.81 0.00 0.00 61.98 60.51 1d6k s VAL 8 Cb -0.04 -3.23 -0.01 0.00 0.56 0.00 0.00 36.38 33.67 1d6k s VAL 8 CO 0.01 0.08 -0.00 0.00 -0.31 0.00 0.00 175.10 174.88 1d6k s ARG 9 N -1.78 0.18 0.00 4.82 1.70 -0.28 -4.83 118.95 118.76 1d6k s ARG 9 Ca 0.52 -0.31 0.00 0.00 -0.47 0.00 0.00 55.73 55.47 1d6k s ARG 9 Cb -0.44 0.07 0.00 0.00 -0.57 0.00 0.00 34.95 34.01 1d6k s ARG 9 CO 0.57 -0.03 0.52 1.63 -1.08 0.00 0.00 175.30 176.91 1d6k n LYS 10 N 2.28 0.16 0.00 3.89 4.76 -1.26 -4.18 118.16 123.80 1d6k n LYS 10 Ca -0.18 -0.63 0.00 0.00 -2.87 0.00 0.00 58.31 54.63 1d6k n LYS 10 Cb 0.57 -0.86 0.00 0.00 -1.84 0.00 0.00 35.03 32.90 1d6k n LYS 10 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1d6k n GLU 11 N -0.11 0.96 -0.24 1.97 -0.58 -1.26 -4.57 120.64 116.81 1d6k n GLU 11 Ca 0.00 0.00 0.22 0.00 -0.42 0.00 0.00 57.16 56.96 1d6k n GLU 11 Cb 0.14 -1.24 0.56 0.00 -0.57 0.00 0.00 31.44 30.33 1d6k n GLU 11 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 1d6k h GLN 12 N 0.02 0.31 -0.52 3.49 -0.00 -1.95 -0.01 115.11 116.44 1d6k h GLN 12 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 1d6k h GLN 12 Cb 0.24 -0.07 0.00 0.00 -0.00 0.00 0.00 27.48 27.66 1d6k h GLN 12 CO 0.00 0.20 0.00 0.41 -0.00 0.00 0.00 178.83 179.44 1d6k n GLY 13 N -1.56 0.00 0.00 0.06 0.00 -1.26 -4.25 105.19 98.19 1d6k n GLY 13 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1d6k n GLY 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1d6k n LYS 14 N 0.62 0.00 -0.34 1.61 0.00 -1.26 -4.98 118.16 113.82 1d6k n LYS 14 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.28 1d6k n LYS 14 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.12 1d6k n LYS 14 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1d6k h GLY 15 N 0.00 1.34 1.06 3.14 0.00 -1.75 -1.79 103.07 105.06 1d6k h GLY 15 Ca 0.00 -0.57 -0.22 0.00 0.00 0.00 0.00 47.33 46.54 1d6k h GLY 15 CO 0.00 0.55 -0.86 0.00 0.00 0.00 0.00 176.54 176.23 1d6k h ALA 16 N 1.30 0.13 0.00 3.60 0.00 -1.21 -3.07 119.26 120.01 1d6k h ALA 16 Ca 0.33 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1d6k h ALA 16 Cb -0.03 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1d6k h ALA 16 CO -0.06 0.57 -0.02 0.77 0.00 0.00 0.00 179.25 180.51 1d6k h SER 17 N 0.24 0.00 0.35 0.00 0.02 -1.60 -0.62 113.55 111.94 1d6k h SER 17 Ca -0.10 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.53 1d6k h SER 17 Cb 1.53 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.04 1d6k h SER 17 CO 0.17 0.02 -1.78 0.08 -1.14 0.00 0.00 176.83 174.18 1d6k h ARG 18 N 0.00 0.15 -0.14 3.45 -0.00 -1.46 -3.17 114.38 113.21 1d6k h ARG 18 Ca -0.00 -0.26 -0.23 0.00 -0.00 0.00 0.00 59.98 59.49 1d6k h ARG 18 Cb 0.03 0.10 0.01 0.00 -0.00 0.00 0.00 29.97 30.11 1d6k h ARG 18 CO 0.00 0.90 -0.80 0.07 -0.00 0.00 0.00 179.97 180.14 1d6k h ARG 19 N 0.04 0.77 0.52 0.08 0.11 -1.22 -0.74 114.38 113.94 1d6k h ARG 19 Ca -0.33 -0.64 -0.03 0.00 0.10 0.00 0.00 59.98 59.08 1d6k h ARG 19 Cb 2.02 0.14 0.01 0.00 1.11 0.00 0.00 29.97 33.24 1d6k h ARG 19 CO 0.10 1.25 -0.25 -0.07 0.10 0.00 0.00 179.97 181.10 1d6k h LEU 20 N 0.52 -0.60 -2.20 0.08 4.07 -1.33 -1.96 115.31 113.89 1d6k h LEU 20 Ca -0.06 -0.05 0.02 0.00 0.08 0.00 0.00 57.88 57.88 1d6k h LEU 20 Cb 1.43 0.15 -0.00 0.00 1.08 0.00 0.00 40.66 43.32 1d6k h LEU 20 CO 0.16 -0.31 0.07 0.08 -1.08 0.00 0.00 178.44 177.37 1d6k h ARG 21 N -0.88 0.00 0.00 1.13 0.11 -1.52 -0.42 114.38 112.81 1d6k h ARG 21 Ca -0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.01 1d6k h ARG 21 Cb 0.61 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.69 1d6k h ARG 21 CO 0.12 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.19 1d6k n ALA 22 N -2.44 1.94 -0.60 0.08 0.00 -0.29 -3.24 120.51 115.97 1d6k n ALA 22 Ca -0.01 -0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.42 1d6k n ALA 22 Cb 0.17 -1.37 0.04 0.00 0.00 0.00 0.00 19.45 18.30 1d6k n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d6k n ALA 23 N -1.60 1.93 -1.05 0.00 0.00 -0.31 -4.99 120.51 114.50 1d6k n ALA 23 Ca 0.05 -1.38 -0.02 0.00 0.00 0.00 0.00 53.44 52.09 1d6k n ALA 23 Cb 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 19.45 19.57 1d6k n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1d6k n ASN 24 N -0.65 -5.26 -4.52 0.00 3.02 -0.76 -5.00 115.26 102.09 1d6k n ASN 24 Ca 0.04 0.04 -0.28 0.00 -0.03 0.00 0.00 54.58 54.35 1d6k n ASN 24 Cb 0.43 -2.90 0.13 0.00 -0.61 0.00 0.00 39.78 36.83 1d6k n ASN 24 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1d6k s LYS 25 N -1.71 1.36 0.02 3.52 1.02 -0.35 -3.06 119.74 120.53 1d6k s LYS 25 Ca 0.00 -0.34 -0.28 0.00 0.02 0.00 0.00 55.97 55.37 1d6k s LYS 25 Cb 0.00 -1.99 0.08 0.00 -0.52 0.00 0.00 37.83 35.40 1d6k s LYS 25 CO 0.00 -1.89 0.71 -0.59 -0.92 0.00 0.00 175.35 172.65 1d6k s PHE 26 N -3.61 -0.55 0.81 3.18 -0.71 -0.83 -3.23 117.98 113.04 1d6k s PHE 26 Ca 0.68 0.67 -0.11 0.00 -1.04 0.00 0.00 56.93 57.13 1d6k s PHE 26 Cb -0.07 0.49 0.08 0.00 -1.21 0.00 0.00 43.02 42.30 1d6k s PHE 26 CO 0.50 -0.66 1.09 -1.25 -1.34 0.00 0.00 175.22 173.55 1d6k s PRO 27 N -2.37 1.98 0.34 1.99 0.04 -1.26 -3.29 135.00 132.43 1d6k s PRO 27 Ca -0.04 1.07 0.03 0.00 0.04 0.00 0.00 61.00 62.10 1d6k s PRO 27 Cb -0.01 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 1d6k s PRO 27 CO -0.02 -1.81 0.38 0.00 0.04 0.00 0.00 177.00 175.59 1d6k s ALA 28 N -2.91 1.40 0.04 8.56 0.00 -0.60 -3.85 121.76 124.39 1d6k s ALA 28 Ca 0.62 -1.84 0.01 0.00 0.00 0.00 0.00 51.96 50.74 1d6k s ALA 28 Cb -0.17 1.33 -0.03 0.00 0.00 0.00 0.00 23.12 24.25 1d6k s ALA 28 CO 0.56 -0.73 -0.05 -1.50 0.00 0.00 0.00 175.76 174.05 1d6k s ILE 29 N -3.20 0.34 -0.21 0.00 1.10 -0.65 -2.73 121.20 115.86 1d6k s ILE 29 Ca 0.36 -1.32 -0.02 0.00 -0.51 0.00 0.00 60.65 59.17 1d6k s ILE 29 Cb 0.01 -0.86 0.06 0.00 0.15 0.00 0.00 42.46 41.82 1d6k s ILE 29 CO 0.25 -0.64 0.01 -0.63 -2.11 0.00 0.00 174.94 171.82 1d6k s ILE 30 N -2.33 0.85 0.40 2.00 1.01 -0.50 -1.10 121.20 121.52 1d6k s ILE 30 Ca -0.05 -0.76 0.04 0.00 0.00 0.00 0.00 60.65 59.88 1d6k s ILE 30 Cb -0.04 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 1d6k s ILE 30 CO -0.03 -0.17 0.16 -0.72 0.00 0.00 0.00 174.94 174.18 1d6k s TYR 31 N 1.71 1.77 0.00 3.97 -0.85 -0.54 -0.23 117.35 123.18 1d6k s TYR 31 Ca -0.02 -1.38 0.00 0.00 -0.52 0.00 0.00 57.07 55.15 1d6k s TYR 31 Cb -0.18 -1.06 0.00 0.00 0.38 0.00 0.00 41.96 41.10 1d6k s TYR 31 CO -0.07 -0.43 0.00 0.41 -1.52 0.00 0.00 175.55 173.94 1d6k n GLY 32 N -0.86 0.00 5.41 5.49 0.00 -1.25 -0.58 105.19 113.40 1d6k n GLY 32 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1d6k n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d6k n GLY 33 N 0.00 0.26 0.35 -0.02 0.00 -1.26 -2.15 105.19 102.36 1d6k n GLY 33 Ca 0.00 0.44 0.13 0.00 0.00 0.00 0.00 46.02 46.60 1d6k n GLY 33 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1d6k h LYS 34 N 0.00 0.30 0.00 1.61 2.10 -2.06 -0.37 116.57 118.15 1d6k h LYS 34 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1d6k h LYS 34 Cb 0.00 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.26 1d6k h LYS 34 CO 0.00 0.20 -0.28 0.39 -2.00 0.00 0.00 179.45 177.76 1d6k n GLU 35 N -4.46 0.09 -1.31 0.07 -0.58 -0.92 -5.07 120.64 108.47 1d6k n GLU 35 Ca 0.09 0.04 0.18 0.00 -0.42 0.00 0.00 57.16 57.05 1d6k n GLU 35 Cb 0.40 -1.57 -0.05 0.00 -0.57 0.00 0.00 31.44 29.65 1d6k n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1d6k n ALA 36 N -1.60 -3.59 -2.43 0.62 0.00 -0.15 -4.86 120.51 108.50 1d6k n ALA 36 Ca 0.06 0.43 -0.20 0.00 0.00 0.00 0.00 53.44 53.73 1d6k n ALA 36 Cb 0.37 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 1d6k n ALA 36 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1d6k s PRO 37 N -2.24 2.85 -0.29 0.00 0.04 -1.26 -3.75 135.00 130.34 1d6k s PRO 37 Ca 0.00 -1.22 0.04 0.00 0.04 0.00 0.00 61.00 59.86 1d6k s PRO 37 Cb 0.00 -2.60 0.18 0.00 0.04 0.00 0.00 34.50 32.12 1d6k s PRO 37 CO 0.00 0.03 0.51 -1.17 0.04 0.00 0.00 177.00 176.41 1d6k s LEU 38 N -4.09 -1.26 0.29 -3.56 2.96 0.68 -4.97 118.68 108.73 1d6k s LEU 38 Ca 0.44 -0.01 -0.29 0.00 -0.22 0.00 0.00 54.13 54.05 1d6k s LEU 38 Cb -0.07 1.65 -0.10 0.00 0.50 0.00 0.00 46.19 48.17 1d6k s LEU 38 CO 0.29 -0.32 1.19 0.00 -1.32 0.00 0.00 176.35 176.19 1d6k s ALA 39 N 2.71 3.45 0.03 5.97 0.00 -1.26 -1.41 121.76 131.24 1d6k s ALA 39 Ca 0.10 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.14 1d6k s ALA 39 Cb -0.11 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 1d6k s ALA 39 CO -0.27 -0.37 -0.07 0.96 0.00 0.00 0.00 175.76 176.00 1d6k s ILE 40 N -1.05 0.53 -0.33 0.00 -0.00 -1.10 -1.12 121.20 118.12 1d6k s ILE 40 Ca 0.47 -0.79 -0.12 0.00 -0.00 0.00 0.00 60.65 60.21 1d6k s ILE 40 Cb -0.35 -0.54 -0.02 0.00 -0.00 0.00 0.00 42.46 41.55 1d6k s ILE 40 CO 0.45 -0.19 0.22 -0.70 -0.00 0.00 0.00 174.94 174.72 1d6k s GLU 41 N -1.06 3.52 0.25 0.37 2.12 0.26 -1.56 118.70 122.59 1d6k s GLU 41 Ca -0.05 -0.62 0.01 0.00 0.36 0.00 0.00 54.97 54.67 1d6k s GLU 41 Cb -0.07 -3.75 -0.05 0.00 0.26 0.00 0.00 34.13 30.51 1d6k s GLU 41 CO 0.00 -0.41 0.09 -0.48 -0.54 0.00 0.00 175.26 173.92 1d6k s LEU 42 N 1.71 1.66 0.09 2.70 2.34 -1.21 -1.94 118.68 124.03 1d6k s LEU 42 Ca 0.06 -1.36 -0.30 0.00 0.06 0.00 0.00 54.13 52.59 1d6k s LEU 42 Cb -0.17 0.03 -0.06 0.00 -0.56 0.00 0.00 46.19 45.43 1d6k s LEU 42 CO 0.10 -0.72 1.10 -0.62 -1.06 0.00 0.00 176.35 175.15 1d6k s ASP 43 N -3.29 7.23 0.01 1.48 2.15 -1.26 -1.96 116.67 121.03 1d6k s ASP 43 Ca 0.36 1.95 -0.25 0.00 0.43 0.00 0.00 52.55 55.04 1d6k s ASP 43 Cb 0.08 -2.59 -0.18 0.00 -0.30 0.00 0.00 42.92 39.93 1d6k s ASP 43 CO 0.13 -0.32 1.31 -0.74 -0.17 0.00 0.00 175.17 175.38 1d6k h HIS 44 N 6.16 -0.16 0.00 -5.34 -0.00 -1.83 -2.74 115.15 111.24 1d6k h HIS 44 Ca -0.42 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 59.89 1d6k h HIS 44 Cb 1.21 0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 28.67 1d6k h HIS 44 CO 0.66 0.19 -0.24 0.22 -0.00 0.00 0.00 177.93 178.75 1d6k h ASP 45 N -0.54 0.00 0.00 3.26 3.58 -1.94 0.19 116.42 120.98 1d6k h ASP 45 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1d6k h ASP 45 Cb 0.42 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.47 1d6k h ASP 45 CO 0.03 0.24 0.00 1.17 -2.88 0.00 0.00 179.24 177.80 1d6k n LYS 46 N -3.87 0.00 -0.17 0.28 4.81 -1.24 -3.26 118.16 114.70 1d6k n LYS 46 Ca -0.02 0.00 0.29 0.00 -0.87 0.00 0.00 58.31 57.72 1d6k n LYS 46 Cb 0.33 -0.88 0.70 0.00 0.02 0.00 0.00 35.03 35.20 1d6k n LYS 46 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 1d6k h VAL 47 N 0.00 0.35 -0.05 3.15 3.04 -1.23 0.24 116.25 121.74 1d6k h VAL 47 Ca 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.70 1d6k h VAL 47 Cb 0.00 0.43 -0.02 0.00 -2.01 0.00 0.00 31.29 29.69 1d6k h VAL 47 CO 0.00 0.00 -0.19 -0.03 -1.01 0.00 0.00 177.57 176.34 1d6k h MET 48 N 0.00 -0.20 -0.04 4.17 1.85 -0.75 0.85 114.93 120.82 1d6k h MET 48 Ca 0.43 0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.55 1d6k h MET 48 Cb 1.97 0.04 -0.00 0.00 0.43 0.00 0.00 31.60 34.04 1d6k h MET 48 CO -0.00 -0.13 0.33 -0.97 -0.40 0.00 0.00 176.91 175.74 1d6k h ASN 49 N -0.20 0.00 0.00 1.39 -1.24 -0.51 -1.84 115.58 113.18 1d6k h ASN 49 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1d6k h ASN 49 Cb 0.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.29 1d6k h ASN 49 CO -0.16 0.00 -0.17 0.24 -1.29 0.00 0.00 177.43 176.05 1d6k h MET 50 N 0.00 0.00 0.00 6.67 2.86 -0.97 -3.33 114.93 120.16 1d6k h MET 50 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1d6k h MET 50 Cb 0.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1d6k h MET 50 CO -0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 1d6k n GLN 51 N -3.33 0.01 0.00 1.72 -0.00 0.17 -1.41 117.38 114.53 1d6k n GLN 51 Ca -0.02 0.40 0.10 0.00 -0.00 0.00 0.00 57.00 57.47 1d6k n GLN 51 Cb 0.09 -1.50 0.57 0.00 -0.00 0.00 0.00 30.24 29.40 1d6k n GLN 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1d6k n ALA 52 N -1.41 2.35 -2.42 2.61 0.00 -0.69 -4.66 120.51 116.28 1d6k n ALA 52 Ca 0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 53.44 53.14 1d6k n ALA 52 Cb 0.01 -1.31 -0.11 0.00 0.00 0.00 0.00 19.45 18.04 1d6k n ALA 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1d6k s LYS 53 N -2.00 1.17 0.46 0.00 0.00 -0.50 -5.04 119.74 113.83 1d6k s LYS 53 Ca 0.29 -1.40 0.25 0.00 0.00 0.00 0.00 55.97 55.11 1d6k s LYS 53 Cb 0.13 -1.04 1.02 0.00 0.00 0.00 0.00 37.83 37.95 1d6k s LYS 53 CO 0.22 0.19 1.87 0.00 0.00 0.00 0.00 175.35 177.63 1d6k h ALA 54 N 3.12 1.04 0.00 0.59 0.00 -1.86 -2.61 119.26 119.54 1d6k h ALA 54 Ca -0.40 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1d6k h ALA 54 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1d6k h ALA 54 CO 0.55 0.24 0.00 0.93 0.00 0.00 0.00 179.25 180.97 1d6k h GLU 55 N 0.00 0.00 -0.00 0.00 5.08 -1.93 -1.73 114.58 116.00 1d6k h GLU 55 Ca -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1d6k h GLU 55 Cb 0.68 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.94 1d6k h GLU 55 CO 0.02 0.00 -0.29 0.35 -1.00 0.00 0.00 179.01 178.09 1d6k h PHE 56 N 0.00 0.30 -0.27 4.33 3.57 -1.66 -0.08 116.94 123.13 1d6k h PHE 56 Ca 0.00 -0.16 -0.16 0.00 3.53 0.00 0.00 57.97 61.18 1d6k h PHE 56 Cb 0.02 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1d6k h PHE 56 CO 0.00 0.96 -0.46 1.88 -2.23 0.00 0.00 178.31 178.46 1d6k h TYR 57 N -0.45 0.87 0.00 0.41 -1.99 -1.62 -3.34 116.97 110.85 1d6k h TYR 57 Ca -0.04 -0.28 -0.02 0.00 2.00 0.00 0.00 58.73 60.40 1d6k h TYR 57 Cb 1.04 -0.18 -0.00 0.00 2.00 0.00 0.00 36.73 39.59 1d6k h TYR 57 CO 0.17 1.04 -0.11 1.03 -0.00 0.00 0.00 178.16 180.30 1d6k h SER 58 N 0.57 0.00 -3.47 3.88 0.87 -1.44 -3.34 113.55 110.62 1d6k h SER 58 Ca 0.03 -0.80 -0.64 0.00 -1.23 0.00 0.00 61.79 59.15 1d6k h SER 58 Cb 1.02 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.75 1d6k h SER 58 CO 0.10 0.96 -0.65 -1.61 -0.53 0.00 0.00 176.83 175.10 1d6k s GLU 59 N -2.13 3.65 0.54 2.24 2.02 -0.04 -5.04 118.70 119.93 1d6k s GLU 59 Ca -0.17 -0.50 -0.22 0.00 0.02 0.00 0.00 54.97 54.11 1d6k s GLU 59 Cb -0.02 -3.14 -0.06 0.00 0.10 0.00 0.00 34.13 31.01 1d6k s GLU 59 CO 0.57 -0.01 1.23 1.55 0.02 0.00 0.00 175.26 178.62 1d6k n VAL 60 N 4.35 3.59 -4.08 2.63 3.14 -1.26 -4.37 118.33 122.32 1d6k n VAL 60 Ca -0.17 -0.50 -0.28 0.00 -2.96 0.00 0.00 64.34 60.43 1d6k n VAL 60 Cb 0.52 -1.49 -0.06 0.00 -1.06 0.00 0.00 33.84 31.75 1d6k n VAL 60 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1d6k s LEU 61 N -2.71 3.74 -0.41 6.55 1.43 0.91 -4.83 118.68 123.35 1d6k s LEU 61 Ca 0.71 -0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 53.66 1d6k s LEU 61 Cb -0.44 -2.39 0.11 0.00 0.03 0.00 0.00 46.19 43.50 1d6k s LEU 61 CO 0.50 0.11 0.22 -0.89 0.23 0.00 0.00 176.35 176.52 1d6k s THR 62 N -1.59 3.45 -0.45 5.49 2.01 -0.76 -1.42 115.64 122.37 1d6k s THR 62 Ca 0.30 -1.96 -0.29 0.00 0.31 0.00 0.00 61.69 60.05 1d6k s THR 62 Cb -0.11 -3.32 0.02 0.00 0.01 0.00 0.00 72.50 69.10 1d6k s THR 62 CO 0.22 -0.67 1.22 -0.63 -0.69 0.00 0.00 174.62 174.07 1d6k s ILE 63 N 1.19 4.13 -1.10 1.82 -1.09 0.86 -0.53 121.20 126.48 1d6k s ILE 63 Ca 0.07 1.16 -0.13 0.00 -2.23 0.00 0.00 60.65 59.52 1d6k s ILE 63 Cb -0.23 -4.46 0.20 0.00 -1.58 0.00 0.00 42.46 36.38 1d6k s ILE 63 CO -0.03 -0.89 1.23 -0.69 -1.23 0.00 0.00 174.94 173.32 1d6k s VAL 64 N 4.71 5.30 -0.77 2.92 1.01 -1.20 -0.42 120.40 131.95 1d6k s VAL 64 Ca 0.52 -2.65 -0.26 0.00 0.00 0.00 0.00 61.98 59.59 1d6k s VAL 64 Cb -0.10 -4.77 -0.00 0.00 0.00 0.00 0.00 36.38 31.52 1d6k s VAL 64 CO 0.31 -1.43 1.66 0.68 0.00 0.00 0.00 175.10 176.32 1d6k s VAL 65 N 0.87 3.56 -1.66 2.92 -7.23 0.52 -1.70 120.40 117.67 1d6k s VAL 65 Ca 0.35 -0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.52 1d6k s VAL 65 Cb -0.06 -4.39 0.00 0.00 0.56 0.00 0.00 36.38 32.50 1d6k s VAL 65 CO -0.05 -1.33 0.00 -0.67 -0.31 0.00 0.00 175.10 172.75 1d6k n ASP 66 N 11.52 -4.97 0.00 4.85 2.03 -0.60 -1.40 116.55 127.99 1d6k n ASP 66 Ca 0.22 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.74 1d6k n ASP 66 Cb 0.50 -4.28 0.00 0.00 -0.72 0.00 0.00 41.12 36.62 1d6k n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1d6k n GLY 67 N -0.69 0.66 3.64 0.27 0.00 -1.24 -5.09 105.19 102.73 1d6k n GLY 67 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 1d6k n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d6k s LYS 68 N -0.57 4.06 -0.42 1.61 1.02 -0.49 -5.01 119.74 119.93 1d6k s LYS 68 Ca 0.00 -0.08 -0.16 0.00 0.02 0.00 0.00 55.97 55.75 1d6k s LYS 68 Cb 0.00 -3.59 0.03 0.00 -0.52 0.00 0.00 37.83 33.74 1d6k s LYS 68 CO 0.00 -0.10 0.38 -1.21 -0.92 0.00 0.00 175.35 173.50 1d6k s GLU 69 N 1.51 3.03 -0.17 1.68 2.02 -1.26 -0.36 118.70 125.15 1d6k s GLU 69 Ca 0.12 -0.92 -0.02 0.00 0.02 0.00 0.00 54.97 54.17 1d6k s GLU 69 Cb -0.15 -3.99 -0.01 0.00 0.10 0.00 0.00 34.13 30.08 1d6k s GLU 69 CO 0.08 -0.83 -0.09 0.42 0.02 0.00 0.00 175.26 174.86 1d6k s ILE 70 N 1.91 3.22 -0.19 -1.63 1.09 0.44 -4.89 121.20 121.15 1d6k s ILE 70 Ca 0.08 -0.57 -0.26 0.00 -1.10 0.00 0.00 60.65 58.80 1d6k s ILE 70 Cb -0.18 -2.41 -0.01 0.00 -1.06 0.00 0.00 42.46 38.80 1d6k s ILE 70 CO 0.11 0.48 0.86 -0.54 -0.10 0.00 0.00 174.94 175.76 1d6k s LYS 71 N 0.88 4.27 0.13 2.79 -0.14 -1.26 -0.09 119.74 126.33 1d6k s LYS 71 Ca -0.02 1.06 -0.14 0.00 -1.36 0.00 0.00 55.97 55.50 1d6k s LYS 71 Cb -0.15 -3.60 0.02 0.00 -1.68 0.00 0.00 37.83 32.43 1d6k s LYS 71 CO 0.00 -0.40 0.37 0.14 -0.76 0.00 0.00 175.35 174.70 1d6k s VAL 72 N 2.41 0.07 -0.03 3.17 -7.23 -0.51 -1.47 120.40 116.81 1d6k s VAL 72 Ca 0.39 -0.80 -0.05 0.00 -1.81 0.00 0.00 61.98 59.71 1d6k s VAL 72 Cb -0.16 -1.33 0.01 0.00 0.56 0.00 0.00 36.38 35.45 1d6k s VAL 72 CO 0.11 -0.34 0.11 -1.59 -0.31 0.00 0.00 175.10 173.08 1d6k s LYS 73 N -3.84 0.25 -0.24 4.82 -2.85 -0.90 -0.07 119.74 116.92 1d6k s LYS 73 Ca 0.06 -0.06 -0.29 0.00 -1.00 0.00 0.00 55.97 54.68 1d6k s LYS 73 Cb 0.02 0.11 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 1d6k s LYS 73 CO -0.09 -0.05 1.17 0.00 0.10 0.00 0.00 175.35 176.49 1d6k s ALA 74 N -0.47 3.59 -0.28 0.59 0.00 -1.26 -0.86 121.76 123.08 1d6k s ALA 74 Ca -0.05 0.22 0.10 0.00 0.00 0.00 0.00 51.96 52.23 1d6k s ALA 74 Cb -0.04 -3.64 -0.13 0.00 0.00 0.00 0.00 23.12 19.32 1d6k s ALA 74 CO 0.00 -1.30 0.33 1.04 0.00 0.00 0.00 175.76 175.84 1d6k n GLN 75 N 6.70 2.37 -3.19 0.00 3.00 -1.04 -4.66 117.38 120.56 1d6k n GLN 75 Ca 0.13 -0.04 0.01 0.00 -0.01 0.00 0.00 57.00 57.09 1d6k n GLN 75 Cb 0.46 -1.07 -0.02 0.00 0.00 0.00 0.00 30.24 29.61 1d6k n GLN 75 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1d6k s ASP 76 N -2.42 -1.11 -0.12 1.08 2.15 -1.24 -5.04 116.67 109.98 1d6k s ASP 76 Ca 0.01 0.31 -0.10 0.00 0.43 0.00 0.00 52.55 53.20 1d6k s ASP 76 Cb 0.07 1.86 -0.05 0.00 -0.30 0.00 0.00 42.92 44.51 1d6k s ASP 76 CO 0.41 -0.30 0.20 0.68 -0.17 0.00 0.00 175.17 175.99 1d6k s VAL 77 N 2.77 5.39 -0.36 1.11 -7.23 -1.26 -0.49 120.40 120.33 1d6k s VAL 77 Ca 0.13 0.35 -0.08 0.00 -1.81 0.00 0.00 61.98 60.57 1d6k s VAL 77 Cb -0.12 -3.49 0.04 0.00 0.56 0.00 0.00 36.38 33.37 1d6k s VAL 77 CO -0.24 0.56 0.16 -1.10 -0.31 0.00 0.00 175.10 174.17 1d6k s GLN 78 N -0.66 2.68 0.67 4.82 -0.21 0.36 -5.00 119.66 122.32 1d6k s GLN 78 Ca 0.16 -1.19 -0.11 0.00 0.02 0.00 0.00 55.36 54.24 1d6k s GLN 78 Cb -0.13 -3.60 -0.01 0.00 1.00 0.00 0.00 33.01 30.28 1d6k s GLN 78 CO 0.05 -0.72 1.06 0.50 -2.12 0.00 0.00 175.29 174.06 1d6k s ARG 79 N 1.46 3.14 0.79 2.91 6.06 -1.26 -0.65 118.95 131.39 1d6k s ARG 79 Ca 0.00 0.73 -0.10 0.00 -2.50 0.00 0.00 55.73 53.85 1d6k s ARG 79 Cb -0.20 -2.03 0.07 0.00 0.06 0.00 0.00 34.95 32.85 1d6k s ARG 79 CO 0.04 -0.90 1.10 -1.01 -2.50 0.00 0.00 175.30 172.03 1d6k s HIS 80 N -3.18 2.42 -0.06 5.12 3.76 -0.13 -4.52 115.29 118.71 1d6k s HIS 80 Ca 0.57 1.59 0.13 0.00 -0.15 0.00 0.00 55.06 57.20 1d6k s HIS 80 Cb -0.12 -3.10 -0.10 0.00 1.11 0.00 0.00 32.58 30.37 1d6k s HIS 80 CO 0.54 -1.96 1.12 -1.00 -0.85 0.00 0.00 174.74 172.59 1d6k h PRO 81 N -1.24 0.00 0.00 8.40 0.13 -1.98 -3.40 132.00 133.91 1d6k h PRO 81 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1d6k h PRO 81 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1d6k h PRO 81 CO 0.50 0.57 0.00 0.66 -0.23 0.00 0.00 178.00 179.50 1d6k n TYR 82 N -3.14 0.00 -4.33 1.56 4.01 -1.26 -5.09 117.16 108.90 1d6k n TYR 82 Ca -0.04 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.49 1d6k n TYR 82 Cb 0.86 0.03 -0.11 0.00 -0.31 0.00 0.00 39.34 39.81 1d6k n TYR 82 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1d6k s LYS 83 N 0.00 1.27 -1.54 -0.72 3.01 -1.26 -5.05 119.74 115.46 1d6k s LYS 83 Ca 0.00 -1.43 -0.11 0.00 -1.01 0.00 0.00 55.97 53.41 1d6k s LYS 83 Cb 0.00 -1.27 -0.05 0.00 -1.01 0.00 0.00 37.83 35.50 1d6k s LYS 83 CO 0.00 0.25 2.70 -0.35 0.51 0.00 0.00 175.35 178.46 1d6k n PRO 84 N 0.17 3.35 -3.54 -1.68 -0.04 -1.26 -4.20 135.00 127.80 1d6k n PRO 84 Ca -0.12 -2.29 -0.15 0.00 -0.04 0.00 0.00 63.50 60.90 1d6k n PRO 84 Cb 0.58 -2.94 -0.05 0.00 -0.04 0.00 0.00 33.50 31.05 1d6k n PRO 84 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1d6k n LYS 85 N 4.42 0.57 -4.36 0.54 4.76 -1.26 -5.01 118.16 117.82 1d6k n LYS 85 Ca 0.69 -2.24 -0.22 0.00 -2.87 0.00 0.00 58.31 53.68 1d6k n LYS 85 Cb 0.28 1.40 -0.11 0.00 -1.84 0.00 0.00 35.03 34.76 1d6k n LYS 85 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1d6k s LEU 86 N 0.00 2.48 -0.03 -0.35 1.43 -1.26 -0.95 118.68 119.99 1d6k s LEU 86 Ca 0.17 -0.92 0.02 0.00 -1.03 0.00 0.00 54.13 52.38 1d6k s LEU 86 Cb 0.01 -0.85 -0.03 0.00 0.03 0.00 0.00 46.19 45.35 1d6k s LEU 86 CO 0.12 -0.05 -0.00 0.00 0.23 0.00 0.00 176.35 176.66 1d6k n GLN 87 N 0.04 2.65 -3.62 1.70 6.02 0.17 -4.64 117.38 119.70 1d6k n GLN 87 Ca -0.11 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.85 1d6k n GLN 87 Cb 0.58 -1.07 -0.02 0.00 1.02 0.00 0.00 30.24 30.74 1d6k n GLN 87 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1d6k s HIS 88 N -2.07 -0.07 -0.02 1.08 5.04 -1.22 -4.74 115.29 113.29 1d6k s HIS 88 Ca -0.02 0.06 -0.04 0.00 -1.54 0.00 0.00 55.06 53.52 1d6k s HIS 88 Cb 0.01 0.50 0.00 0.00 0.04 0.00 0.00 32.58 33.14 1d6k s HIS 88 CO 0.11 -0.11 0.09 0.42 -2.34 0.00 0.00 174.74 172.91 1d6k s ILE 89 N -2.00 0.04 -0.07 0.89 1.01 -1.25 -0.49 121.20 119.34 1d6k s ILE 89 Ca 0.10 -0.35 0.06 0.00 0.00 0.00 0.00 60.65 60.45 1d6k s ILE 89 Cb -0.01 -0.25 -0.01 0.00 0.01 0.00 0.00 42.46 42.21 1d6k s ILE 89 CO -0.04 -0.19 -0.25 -1.81 0.00 0.00 0.00 174.94 172.65 1d6k s ASP 90 N -0.61 3.04 0.14 3.58 1.11 0.36 -1.64 116.67 122.65 1d6k s ASP 90 Ca -0.07 -0.52 0.10 0.00 0.18 0.00 0.00 52.55 52.24 1d6k s ASP 90 Cb -0.04 -0.97 -0.04 0.00 1.07 0.00 0.00 42.92 42.94 1d6k s ASP 90 CO 0.00 0.22 -0.23 -0.36 1.18 0.00 0.00 175.17 175.98 1d6k s PHE 91 N -0.04 2.09 0.09 4.23 0.40 -0.26 -2.50 117.98 122.00 1d6k s PHE 91 Ca -0.07 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 55.90 1d6k s PHE 91 Cb -0.15 -1.10 -0.04 0.00 0.51 0.00 0.00 43.02 42.24 1d6k s PHE 91 CO 0.05 0.34 0.05 0.14 0.70 0.00 0.00 175.22 176.50 1d6k s VAL 92 N -1.37 4.33 -0.69 -0.44 -7.23 -0.04 -1.47 120.40 113.50 1d6k s VAL 92 Ca 0.14 -0.88 -0.26 0.00 -1.81 0.00 0.00 61.98 59.17 1d6k s VAL 92 Cb -0.09 -3.09 -0.12 0.00 0.56 0.00 0.00 36.38 33.64 1d6k s VAL 92 CO 0.06 0.10 2.42 0.54 -0.31 0.00 0.00 175.10 177.91 1d6k n ARG 93 N 0.42 0.72 0.00 4.82 5.12 0.25 -2.12 116.66 125.87 1d6k n ARG 93 Ca -0.09 -0.50 0.09 0.00 -1.93 0.00 0.00 57.85 55.42 1d6k n ARG 93 Cb 0.52 -3.49 0.52 0.00 -1.16 0.00 0.00 32.46 28.84 1d6k n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70