#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 0.00 -2.64 3.17 3.72 -1.26 -4.13 117.46 116.32 1d6k n PHE 2 Ca 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.36 1d6k n PHE 2 Cb 0.00 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.50 1d6k n PHE 2 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1d6k n THR 3 N 0.00-12.65 -3.38 4.37 -1.04 -1.26 -4.94 114.28 95.38 1d6k n THR 3 Ca 0.00 2.56 -0.45 0.00 -2.04 0.00 0.00 64.05 64.11 1d6k n THR 3 Cb 0.00 -6.62 -0.03 0.00 -1.82 0.00 0.00 70.33 61.86 1d6k n THR 3 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1d6k s ILE 4 N -0.90 5.41 -0.11 12.58 -1.09 -0.23 -4.87 121.20 131.99 1d6k s ILE 4 Ca -0.22 -2.63 -0.29 0.00 -2.23 0.00 0.00 60.65 55.27 1d6k s ILE 4 Cb 0.01 -4.35 -0.06 0.00 -1.58 0.00 0.00 42.46 36.49 1d6k s ILE 4 CO 0.79 -1.03 1.86 0.20 -1.23 0.00 0.00 174.94 175.53 1d6k s ASN 5 N 1.88 6.26 0.00 3.58 0.02 -1.26 -3.17 114.94 122.24 1d6k s ASN 5 Ca 0.19 2.11 0.00 0.00 -1.02 0.00 0.00 52.86 54.14 1d6k s ASN 5 Cb -0.11 -2.53 0.00 0.00 0.02 0.00 0.00 41.25 38.63 1d6k s ASN 5 CO -0.08 -1.28 0.00 0.00 0.02 0.00 0.00 177.10 175.75 1d6k n ALA 6 N 8.62 0.00 -3.38 0.60 0.00 -0.69 -4.32 120.51 121.33 1d6k n ALA 6 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.51 1d6k n ALA 6 Cb 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 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 0.66 0.68 0.46 0.00 -1.05 -0.63 -1.46 118.70 117.36 1d6k s GLU 7 Ca 0.00 0.40 -0.24 0.00 -0.15 0.00 0.00 54.97 54.97 1d6k s GLU 7 Cb 0.00 0.32 -0.07 0.00 -0.44 0.00 0.00 34.13 33.94 1d6k s GLU 7 CO 0.00 -0.14 1.29 0.14 0.95 0.00 0.00 175.26 177.50 1d6k s VAL 8 N -0.38 2.56 0.04 1.83 -7.23 -1.26 -0.31 120.40 115.64 1d6k s VAL 8 Ca -0.05 0.46 -0.00 0.00 -1.81 0.00 0.00 61.98 60.57 1d6k s VAL 8 Cb -0.03 -3.25 -0.03 0.00 0.56 0.00 0.00 36.38 33.62 1d6k s VAL 8 CO 0.03 0.03 -0.03 0.00 -0.31 0.00 0.00 175.10 174.82 1d6k s ARG 9 N -2.53 0.50 0.00 4.82 1.70 -0.36 -4.77 118.95 118.31 1d6k s ARG 9 Ca 0.62 -0.99 0.00 0.00 -0.47 0.00 0.00 55.73 54.90 1d6k s ARG 9 Cb -0.37 0.15 0.00 0.00 -0.57 0.00 0.00 34.95 34.16 1d6k s ARG 9 CO 0.46 -0.08 0.03 1.63 -1.08 0.00 0.00 175.30 176.25 1d6k n LYS 10 N 0.68 0.31 0.00 3.89 4.76 -1.26 -4.09 118.16 122.45 1d6k n LYS 10 Ca -0.18 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 1d6k n LYS 10 Cb 0.59 -0.31 0.00 0.00 -1.84 0.00 0.00 35.03 33.46 1d6k n LYS 10 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1d6k n GLU 11 N -0.05 0.35 -0.29 1.97 0.00 -1.26 -4.51 120.64 116.85 1d6k n GLU 11 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.27 1d6k n GLU 11 Cb 0.12 -1.10 0.27 0.00 0.00 0.00 0.00 31.44 30.72 1d6k n GLU 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.13 176.57 1d6k h GLN 12 N 0.37 0.28 0.00 3.44 -0.00 -1.95 0.16 115.11 117.41 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 0.10 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 27.52 1d6k h GLN 12 CO 0.00 0.18 0.00 0.41 -0.00 0.00 0.00 178.83 179.42 1d6k n GLY 13 N -1.36 0.00 0.00 0.06 0.00 -1.26 -4.09 105.19 98.54 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 -3.12 0.06 -0.21 1.61 4.81 -1.21 -4.95 118.16 115.14 1d6k n LYS 14 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 1d6k n LYS 14 Cb 0.00 -0.01 0.04 0.00 0.02 0.00 0.00 35.03 35.08 1d6k n LYS 14 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1d6k h GLY 15 N 0.00 0.85 0.90 3.14 0.00 -1.69 -2.21 103.07 104.06 1d6k h GLY 15 Ca 0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 1d6k h GLY 15 CO 0.00 0.32 -0.06 0.00 0.00 0.00 0.00 176.54 176.80 1d6k h ALA 16 N 1.21 0.42 0.00 3.60 0.00 -1.19 -3.05 119.26 120.26 1d6k h ALA 16 Ca 0.22 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1d6k h ALA 16 Cb -0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1d6k h ALA 16 CO -0.05 0.23 -0.10 0.77 0.00 0.00 0.00 179.25 180.11 1d6k h SER 17 N 0.36 0.00 0.20 0.00 0.02 -1.57 -1.20 113.55 111.36 1d6k h SER 17 Ca 0.08 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.68 1d6k h SER 17 Cb 0.53 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 1d6k h SER 17 CO 0.03 0.10 -1.83 0.08 -1.14 0.00 0.00 176.83 174.06 1d6k h ARG 18 N 0.00 0.32 -0.29 3.45 -0.00 -1.49 -3.17 114.38 113.19 1d6k h ARG 18 Ca -0.00 -0.54 -0.05 0.00 -0.00 0.00 0.00 59.98 59.39 1d6k h ARG 18 Cb 0.21 0.20 -0.02 0.00 -0.00 0.00 0.00 29.97 30.37 1d6k h ARG 18 CO 0.01 1.23 -0.05 0.07 -0.00 0.00 0.00 179.97 181.23 1d6k h ARG 19 N 0.09 0.46 0.28 0.08 0.11 -1.32 0.22 114.38 114.29 1d6k h ARG 19 Ca -0.37 -0.10 -0.01 0.00 0.10 0.00 0.00 59.98 59.60 1d6k h ARG 19 Cb 2.06 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 33.08 1d6k h ARG 19 CO 0.14 0.52 -0.13 -0.07 0.10 0.00 0.00 179.97 180.53 1d6k h LEU 20 N 0.44 -0.32 -2.18 0.08 3.38 -1.37 -2.58 115.31 112.76 1d6k h LEU 20 Ca 0.09 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1d6k h LEU 20 Cb 0.36 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1d6k h LEU 20 CO 0.02 -0.16 -0.04 0.08 0.09 0.00 0.00 178.44 178.42 1d6k h ARG 21 N -0.50 0.00 0.00 1.13 -0.00 -1.50 -0.26 114.38 113.24 1d6k h ARG 21 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.93 1d6k h ARG 21 Cb 0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.26 1d6k h ARG 21 CO 0.06 0.04 -0.05 0.00 -0.00 0.00 0.00 179.97 180.02 1d6k h ALA 22 N 1.96 1.03 -0.02 0.08 0.00 -0.89 -3.13 119.26 118.30 1d6k h ALA 22 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1d6k h ALA 22 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1d6k h ALA 22 CO 0.00 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.32 1d6k n ALA 23 N -2.13 2.27 -1.07 0.00 0.00 -0.44 -4.98 120.51 114.15 1d6k n ALA 23 Ca -0.00 -2.40 -0.02 0.00 0.00 0.00 0.00 53.44 51.01 1d6k n ALA 23 Cb 0.30 -0.35 -0.01 0.00 0.00 0.00 0.00 19.45 19.38 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 -1.26 -5.19 -4.72 0.00 3.02 -0.86 -4.99 115.26 101.25 1d6k n ASN 24 Ca 0.14 0.06 -0.27 0.00 -0.03 0.00 0.00 54.58 54.49 1d6k n ASN 24 Cb 0.60 -2.91 0.10 0.00 -0.61 0.00 0.00 39.78 36.97 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 -1.78 1.75 0.04 3.52 1.02 -0.24 -2.98 119.74 121.08 1d6k s LYS 25 Ca 0.00 -0.35 -0.17 0.00 0.02 0.00 0.00 55.97 55.47 1d6k s LYS 25 Cb 0.00 -2.09 0.03 0.00 -0.52 0.00 0.00 37.83 35.25 1d6k s LYS 25 CO 0.00 -1.58 0.39 -0.59 -0.92 0.00 0.00 175.35 172.65 1d6k s PHE 26 N -3.42 -0.23 0.65 3.18 -0.71 -0.54 -3.01 117.98 113.89 1d6k s PHE 26 Ca 0.64 0.17 -0.15 0.00 -1.04 0.00 0.00 56.93 56.55 1d6k s PHE 26 Cb -0.09 0.19 -0.00 0.00 -1.21 0.00 0.00 43.02 41.91 1d6k s PHE 26 CO 0.47 -0.56 1.11 -1.25 -1.34 0.00 0.00 175.22 173.65 1d6k s PRO 27 N -2.51 2.86 0.31 1.99 0.04 -1.26 -3.23 135.00 133.20 1d6k s PRO 27 Ca -0.05 1.38 0.05 0.00 0.04 0.00 0.00 61.00 62.42 1d6k s PRO 27 Cb -0.01 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1d6k s PRO 27 CO -0.03 -1.20 0.30 0.00 0.04 0.00 0.00 177.00 176.11 1d6k n ALA 28 N -2.36 0.47 -2.35 8.56 0.00 -0.65 -4.06 120.51 120.11 1d6k n ALA 28 Ca 0.10 -1.75 -0.09 0.00 0.00 0.00 0.00 53.44 51.70 1d6k n ALA 28 Cb 0.52 1.42 -0.10 0.00 0.00 0.00 0.00 19.45 21.28 1d6k n ALA 28 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1d6k s ILE 29 N -3.16 0.38 -0.32 0.00 1.10 -1.09 -2.47 121.20 115.64 1d6k s ILE 29 Ca 0.35 -1.61 0.01 0.00 -0.51 0.00 0.00 60.65 58.89 1d6k s ILE 29 Cb 0.01 -1.25 0.10 0.00 0.15 0.00 0.00 42.46 41.47 1d6k s ILE 29 CO 0.25 -0.81 0.08 -0.63 -2.11 0.00 0.00 174.94 171.72 1d6k s ILE 30 N -3.12 1.37 0.32 2.00 1.01 -0.44 -1.45 121.20 120.88 1d6k s ILE 30 Ca 0.03 -1.73 0.01 0.00 0.00 0.00 0.00 60.65 58.96 1d6k s ILE 30 Cb 0.02 -2.02 -0.00 0.00 0.01 0.00 0.00 42.46 40.46 1d6k s ILE 30 CO -0.06 -0.65 0.04 0.00 0.00 0.00 0.00 174.94 174.28 1d6k n TYR 31 N 4.64 0.49 -2.21 3.97 0.18 -0.19 -0.59 117.16 123.46 1d6k n TYR 31 Ca 0.00 -1.74 -0.03 0.00 1.88 0.00 0.00 57.90 58.01 1d6k n TYR 31 Cb 0.42 -0.13 0.00 0.00 -0.38 0.00 0.00 39.34 39.25 1d6k n TYR 31 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1d6k n GLY 32 N 0.58 0.36 0.00 -7.48 0.00 -1.26 -0.54 105.19 96.86 1d6k n GLY 32 Ca -0.10 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.94 1.55 0.00 -0.02 0.00 -1.26 -4.43 105.19 100.10 1d6k n GLY 33 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1d6k n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1d6k n LYS 34 N 0.00 0.00 -0.07 1.61 0.00 -1.26 -4.99 118.16 113.45 1d6k n LYS 34 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 58.31 58.23 1d6k n LYS 34 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 34.99 1d6k n LYS 34 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1d6k h GLU 35 N 0.00 0.00 0.00 1.64 4.11 -2.03 -3.51 114.58 114.79 1d6k h GLU 35 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1d6k h GLU 35 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1d6k h GLU 35 CO 0.00 0.31 0.00 0.00 0.07 0.00 0.00 179.01 179.39 1d6k n ALA 36 N -3.31 0.00 -2.19 1.06 0.00 -1.26 -5.18 120.51 109.63 1d6k n ALA 36 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1d6k n ALA 36 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1d6k n ALA 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1d6k n PRO 37 N -0.43 1.43 -3.24 0.00 -0.04 -1.26 -4.62 135.00 126.84 1d6k n PRO 37 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1d6k n PRO 37 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 1d6k n PRO 37 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1d6k s LEU 38 N 0.00 -1.12 0.28 1.53 2.96 0.25 -4.97 118.68 117.61 1d6k s LEU 38 Ca 0.00 -0.00 -0.29 0.00 -0.22 0.00 0.00 54.13 53.61 1d6k s LEU 38 Cb 0.00 1.53 -0.10 0.00 0.50 0.00 0.00 46.19 48.12 1d6k s LEU 38 CO 0.00 -0.32 1.15 0.00 -1.32 0.00 0.00 176.35 175.86 1d6k s ALA 39 N 2.67 3.43 -0.00 5.97 0.00 -1.26 -1.33 121.76 131.24 1d6k s ALA 39 Ca 0.11 0.97 0.01 0.00 0.00 0.00 0.00 51.96 53.06 1d6k s ALA 39 Cb -0.12 -3.36 -0.00 0.00 0.00 0.00 0.00 23.12 19.63 1d6k s ALA 39 CO -0.26 -0.27 -0.05 0.96 0.00 0.00 0.00 175.76 176.14 1d6k s ILE 40 N -1.03 0.36 -0.46 0.00 -0.00 -1.03 -1.22 121.20 117.82 1d6k s ILE 40 Ca 0.46 -0.20 -0.20 0.00 -0.00 0.00 0.00 60.65 60.72 1d6k s ILE 40 Cb -0.33 -0.31 0.04 0.00 -0.00 0.00 0.00 42.46 41.86 1d6k s ILE 40 CO 0.43 0.10 0.60 -0.70 -0.00 0.00 0.00 174.94 175.37 1d6k s GLU 41 N -0.11 3.19 0.23 0.37 2.12 0.58 -1.64 118.70 123.43 1d6k s GLU 41 Ca 0.02 -0.63 0.04 0.00 0.36 0.00 0.00 54.97 54.76 1d6k s GLU 41 Cb -0.02 -4.01 -0.05 0.00 0.26 0.00 0.00 34.13 30.31 1d6k s GLU 41 CO -0.00 -1.06 -0.02 -0.48 -0.54 0.00 0.00 175.26 173.16 1d6k s LEU 42 N 2.64 2.27 0.19 2.70 2.34 -1.20 -1.60 118.68 126.01 1d6k s LEU 42 Ca 0.18 -1.19 -0.30 0.00 0.06 0.00 0.00 54.13 52.88 1d6k s LEU 42 Cb -0.16 -0.33 -0.08 0.00 -0.56 0.00 0.00 46.19 45.06 1d6k s LEU 42 CO 0.15 -0.47 1.09 -0.62 -1.06 0.00 0.00 176.35 175.45 1d6k s ASP 43 N -3.31 7.28 -0.05 1.48 -1.08 -1.26 -1.47 116.67 118.26 1d6k s ASP 43 Ca 0.27 2.10 -0.26 0.00 -0.52 0.00 0.00 52.55 54.14 1d6k s ASP 43 Cb 0.05 -2.61 -0.21 0.00 -1.46 0.00 0.00 42.92 38.70 1d6k s ASP 43 CO 0.08 -0.20 1.09 -0.74 0.52 0.00 0.00 175.17 175.92 1d6k h HIS 44 N 4.99 -0.04 0.00 -5.34 -0.00 -1.82 -2.72 115.15 110.23 1d6k h HIS 44 Ca -0.44 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 59.89 1d6k h HIS 44 Cb 1.21 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 28.63 1d6k h HIS 44 CO 0.62 0.56 -0.17 0.22 -0.00 0.00 0.00 177.93 179.16 1d6k h ASP 45 N -0.67 0.00 0.00 3.26 3.58 -1.94 0.19 116.42 120.84 1d6k h ASP 45 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1d6k h ASP 45 Cb 0.61 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.66 1d6k h ASP 45 CO 0.01 0.17 0.00 1.17 -2.88 0.00 0.00 179.24 177.71 1d6k n LYS 46 N -3.31 0.00 0.18 0.28 4.81 -1.25 -3.16 118.16 115.72 1d6k n LYS 46 Ca 0.00 0.16 0.17 0.00 -0.87 0.00 0.00 58.31 57.77 1d6k n LYS 46 Cb 0.42 -1.08 0.79 0.00 0.02 0.00 0.00 35.03 35.18 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 0.55 0.02 3.15 3.04 -1.10 -0.47 116.25 121.43 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 0.84 -0.04 0.00 -2.01 0.00 0.00 31.29 30.08 1d6k h VAL 47 CO 0.00 0.00 -0.40 -0.03 -1.01 0.00 0.00 177.57 176.13 1d6k h MET 48 N 0.00 -0.50 -0.04 4.17 1.85 -0.75 0.48 114.93 120.14 1d6k h MET 48 Ca 0.10 0.03 0.01 0.00 -0.61 0.00 0.00 59.70 59.23 1d6k h MET 48 Cb 0.51 0.11 -0.00 0.00 0.43 0.00 0.00 31.60 32.65 1d6k h MET 48 CO -0.00 -0.33 0.15 -0.97 -0.40 0.00 0.00 176.91 175.36 1d6k h ASN 49 N -0.52 0.00 0.00 1.39 -1.24 -1.04 -2.01 115.58 112.16 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 0.55 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.60 1d6k h ASN 49 CO -0.26 0.00 -0.02 0.24 -1.29 0.00 0.00 177.43 176.10 1d6k h MET 50 N 0.00 0.00 0.00 6.67 2.86 -0.89 -3.34 114.93 120.23 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 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 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 -2.42 0.03 0.00 1.72 -0.00 0.00 -1.62 117.38 115.09 1d6k n GLN 51 Ca -0.00 0.32 0.09 0.00 -0.00 0.00 0.00 57.00 57.41 1d6k n GLN 51 Cb 0.01 -1.50 0.49 0.00 -0.00 0.00 0.00 30.24 29.24 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 -1.35 2.06 -2.39 2.61 0.00 -0.76 -4.67 120.51 116.00 1d6k n ALA 52 Ca 0.01 -0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.15 1d6k n ALA 52 Cb 0.02 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.07 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 -2.35 1.35 0.46 0.00 0.00 -0.64 -5.05 119.74 113.51 1d6k s LYS 53 Ca 0.21 -1.55 0.26 0.00 0.00 0.00 0.00 55.97 54.89 1d6k s LYS 53 Cb 0.12 -1.26 0.90 0.00 0.00 0.00 0.00 37.83 37.59 1d6k s LYS 53 CO 0.25 0.23 1.81 0.00 0.00 0.00 0.00 175.35 177.64 1d6k h ALA 54 N 2.74 0.98 -0.06 0.59 0.00 -1.87 -2.47 119.26 119.18 1d6k h ALA 54 Ca -0.39 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.40 1d6k h ALA 54 Cb 1.22 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1d6k h ALA 54 CO 0.58 0.18 0.16 0.93 0.00 0.00 0.00 179.25 181.11 1d6k h GLU 55 N 0.00 0.00 0.08 0.00 5.08 -1.93 -1.06 114.58 116.75 1d6k h GLU 55 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1d6k h GLU 55 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1d6k h GLU 55 CO 0.02 0.00 -0.04 0.35 -1.00 0.00 0.00 179.01 178.34 1d6k h PHE 56 N 0.00 -0.10 0.00 4.33 3.57 -1.65 -1.26 116.94 121.84 1d6k h PHE 56 Ca 0.03 -0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.29 1d6k h PHE 56 Cb 0.35 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 1d6k h PHE 56 CO 0.00 0.34 -1.16 0.10 -2.23 0.00 0.00 178.31 175.36 1d6k h TYR 57 N -0.58 0.01 0.00 0.41 -0.00 -1.66 -3.32 116.97 111.83 1d6k h TYR 57 Ca -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 58.73 58.66 1d6k h TYR 57 Cb 0.49 -0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.21 1d6k h TYR 57 CO 0.08 1.01 -0.52 1.03 -0.00 0.00 0.00 178.16 179.76 1d6k h SER 58 N 0.00 0.00 -3.41 0.10 0.87 -1.31 -3.39 113.55 106.42 1d6k h SER 58 Ca -0.07 0.00 -0.43 0.00 -1.23 0.00 0.00 61.79 60.05 1d6k h SER 58 Cb 1.83 0.00 -0.35 0.00 -0.44 0.00 0.00 62.40 63.44 1d6k h SER 58 CO 0.12 0.19 -0.78 -1.61 -0.53 0.00 0.00 176.83 174.22 1d6k s GLU 59 N -3.15 0.96 0.47 2.24 2.02 -0.47 -5.02 118.70 115.74 1d6k s GLU 59 Ca 0.03 -0.13 -0.22 0.00 0.02 0.00 0.00 54.97 54.67 1d6k s GLU 59 Cb 0.07 -0.98 -0.09 0.00 0.10 0.00 0.00 34.13 33.22 1d6k s GLU 59 CO 0.73 -0.11 0.92 1.55 0.02 0.00 0.00 175.26 178.37 1d6k n VAL 60 N 4.23 2.60 -4.21 2.63 3.14 -1.26 -4.43 118.33 121.03 1d6k n VAL 60 Ca -0.21 -0.50 -0.24 0.00 -2.96 0.00 0.00 64.34 60.43 1d6k n VAL 60 Cb 0.51 -1.06 -0.07 0.00 -1.06 0.00 0.00 33.84 32.15 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 -0.51 3.16 -0.39 6.55 1.43 0.67 -4.91 118.68 124.68 1d6k s LEU 61 Ca 0.66 -0.82 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1d6k s LEU 61 Cb -0.52 -1.61 0.11 0.00 0.03 0.00 0.00 46.19 44.19 1d6k s LEU 61 CO 0.55 -0.23 0.13 -0.89 0.23 0.00 0.00 176.35 176.14 1d6k s THR 62 N -2.44 2.58 -0.51 5.49 2.01 -1.26 -1.92 115.64 119.59 1d6k s THR 62 Ca 0.36 -2.45 -0.28 0.00 0.31 0.00 0.00 61.69 59.62 1d6k s THR 62 Cb -0.02 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.64 1d6k s THR 62 CO 0.21 -0.66 1.52 -0.63 -0.69 0.00 0.00 174.62 174.37 1d6k s ILE 63 N 0.74 3.71 -1.20 1.82 -1.09 0.80 -1.07 121.20 124.91 1d6k s ILE 63 Ca 0.12 0.63 -0.17 0.00 -2.23 0.00 0.00 60.65 59.00 1d6k s ILE 63 Cb -0.21 -4.23 0.11 0.00 -1.58 0.00 0.00 42.46 36.55 1d6k s ILE 63 CO -0.06 -0.96 1.55 -0.69 -1.23 0.00 0.00 174.94 173.55 1d6k s VAL 64 N 6.43 4.47 -0.71 2.92 1.01 -1.19 -0.58 120.40 132.75 1d6k s VAL 64 Ca 0.59 -2.01 -0.26 0.00 0.00 0.00 0.00 61.98 60.30 1d6k s VAL 64 Cb -0.13 -5.05 -0.01 0.00 0.00 0.00 0.00 36.38 31.19 1d6k s VAL 64 CO 0.27 -1.83 1.70 0.68 0.00 0.00 0.00 175.10 175.91 1d6k s VAL 65 N 3.26 3.50 -1.57 2.92 -7.23 0.45 -1.71 120.40 120.02 1d6k s VAL 65 Ca 0.47 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.76 1d6k s VAL 65 Cb 0.00 -4.27 0.00 0.00 0.56 0.00 0.00 36.38 32.67 1d6k s VAL 65 CO 0.02 -1.22 0.00 -0.67 -0.31 0.00 0.00 175.10 172.91 1d6k n ASP 66 N 11.81 -4.77 0.00 4.85 2.03 -0.53 -1.42 116.55 128.51 1d6k n ASP 66 Ca 0.19 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.71 1d6k n ASP 66 Cb 0.51 -4.11 0.00 0.00 -0.72 0.00 0.00 41.12 36.79 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 -0.70 0.77 3.48 0.27 0.00 -1.25 -5.09 105.19 102.67 1d6k n GLY 67 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.48 3.53 -0.29 1.61 1.02 -0.51 -5.01 119.74 119.61 1d6k s LYS 68 Ca 0.00 -0.60 -0.27 0.00 0.02 0.00 0.00 55.97 55.13 1d6k s LYS 68 Cb 0.00 -3.59 0.01 0.00 -0.52 0.00 0.00 37.83 33.73 1d6k s LYS 68 CO 0.00 -0.34 0.96 -1.21 -0.92 0.00 0.00 175.35 173.83 1d6k s GLU 69 N 1.66 4.09 -0.12 1.68 2.02 -1.26 -0.41 118.70 126.37 1d6k s GLU 69 Ca 0.06 0.98 0.03 0.00 0.02 0.00 0.00 54.97 56.05 1d6k s GLU 69 Cb -0.17 -3.70 -0.00 0.00 0.10 0.00 0.00 34.13 30.36 1d6k s GLU 69 CO 0.07 -0.73 -0.20 0.42 0.02 0.00 0.00 175.26 174.84 1d6k s ILE 70 N 3.26 2.34 -0.17 -1.63 1.09 0.25 -4.90 121.20 121.44 1d6k s ILE 70 Ca 0.40 -0.91 -0.23 0.00 -1.10 0.00 0.00 60.65 58.81 1d6k s ILE 70 Cb -0.14 -1.93 -0.02 0.00 -1.06 0.00 0.00 42.46 39.31 1d6k s ILE 70 CO 0.11 0.55 0.73 -0.54 -0.10 0.00 0.00 174.94 175.69 1d6k s LYS 71 N 0.46 4.28 0.16 2.79 -0.14 -1.26 -0.14 119.74 125.88 1d6k s LYS 71 Ca -0.14 0.83 -0.16 0.00 -1.36 0.00 0.00 55.97 55.14 1d6k s LYS 71 Cb -0.17 -3.56 0.03 0.00 -1.68 0.00 0.00 37.83 32.45 1d6k s LYS 71 CO 0.06 -0.24 0.43 0.14 -0.76 0.00 0.00 175.35 174.98 1d6k s VAL 72 N 1.87 0.05 -0.11 3.17 -7.23 -0.81 -1.07 120.40 116.27 1d6k s VAL 72 Ca 0.34 -0.74 -0.10 0.00 -1.81 0.00 0.00 61.98 59.67 1d6k s VAL 72 Cb -0.16 -1.39 0.03 0.00 0.56 0.00 0.00 36.38 35.41 1d6k s VAL 72 CO 0.12 -0.24 0.30 -1.59 -0.31 0.00 0.00 175.10 173.39 1d6k s LYS 73 N -3.85 0.35 0.80 4.82 -2.85 -0.91 -0.24 119.74 117.86 1d6k s LYS 73 Ca 0.07 0.43 -0.14 0.00 -1.00 0.00 0.00 55.97 55.33 1d6k s LYS 73 Cb 0.01 0.16 0.04 0.00 -2.06 0.00 0.00 37.83 35.98 1d6k s LYS 73 CO -0.07 -0.05 0.92 0.00 0.10 0.00 0.00 175.35 176.25 1d6k n ALA 74 N 2.98 -0.71 0.00 0.59 0.00 -1.26 -0.31 120.51 121.80 1d6k n ALA 74 Ca -0.13 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1d6k n ALA 74 Cb 0.58 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.94 1d6k n ALA 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1d6k n GLN 75 N -2.34 0.00 -3.36 0.00 1.13 -1.18 -4.71 117.38 106.92 1d6k n GLN 75 Ca 0.12 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.98 1d6k n GLN 75 Cb 0.51 -0.51 -0.08 0.00 0.11 0.00 0.00 30.24 30.26 1d6k n GLN 75 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1d6k s ASP 76 N -4.01 1.47 0.09 1.08 2.15 -1.26 -5.05 116.67 111.14 1d6k s ASP 76 Ca 0.00 -1.85 -0.27 0.00 0.43 0.00 0.00 52.55 50.86 1d6k s ASP 76 Cb 0.00 0.33 -0.06 0.00 -0.30 0.00 0.00 42.92 42.89 1d6k s ASP 76 CO 0.00 -0.25 0.84 0.68 -0.17 0.00 0.00 175.17 176.27 1d6k s VAL 77 N 1.21 4.59 -0.27 1.11 -7.23 -1.26 -2.23 120.40 116.32 1d6k s VAL 77 Ca 0.19 1.80 -0.03 0.00 -1.81 0.00 0.00 61.98 62.13 1d6k s VAL 77 Cb -0.15 -4.20 0.02 0.00 0.56 0.00 0.00 36.38 32.62 1d6k s VAL 77 CO -0.03 0.37 -0.01 -1.10 -0.31 0.00 0.00 175.10 174.02 1d6k s GLN 78 N -0.20 2.86 0.64 4.82 -0.21 0.58 -4.99 119.66 123.16 1d6k s GLN 78 Ca 0.41 -0.98 -0.11 0.00 0.02 0.00 0.00 55.36 54.70 1d6k s GLN 78 Cb -0.22 -3.11 -0.03 0.00 1.00 0.00 0.00 33.01 30.65 1d6k s GLN 78 CO 0.26 -0.44 1.04 1.03 -2.12 0.00 0.00 175.29 175.06 1d6k s ARG 79 N 1.37 3.39 0.84 2.91 1.81 -1.26 -0.54 118.95 127.47 1d6k s ARG 79 Ca 0.00 0.83 -0.10 0.00 -1.72 0.00 0.00 55.73 54.73 1d6k s ARG 79 Cb -0.17 -2.05 0.10 0.00 -0.45 0.00 0.00 34.95 32.38 1d6k s ARG 79 CO -0.02 -0.74 1.11 -1.01 -0.68 0.00 0.00 175.30 173.96 1d6k s HIS 80 N -3.11 2.18 -0.48 -0.53 3.76 -0.08 -4.27 115.29 112.75 1d6k s HIS 80 Ca 0.56 1.62 0.25 0.00 -0.15 0.00 0.00 55.06 57.34 1d6k s HIS 80 Cb -0.12 -3.16 0.56 0.00 1.11 0.00 0.00 32.58 30.96 1d6k s HIS 80 CO 0.54 -2.25 1.68 -1.00 -0.85 0.00 0.00 174.74 172.86 1d6k h PRO 81 N -1.46 0.00 0.00 8.40 0.13 -1.97 -3.41 132.00 133.69 1d6k h PRO 81 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1d6k h PRO 81 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1d6k h PRO 81 CO 0.48 0.00 0.00 0.98 -0.23 0.00 0.00 178.00 179.23 1d6k n TYR 82 N -2.86 0.00 -1.95 1.56 9.36 -1.26 -5.13 117.16 116.89 1d6k n TYR 82 Ca 0.04 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.94 1d6k n TYR 82 Cb 0.48 0.00 0.02 0.00 -0.63 0.00 0.00 39.34 39.21 1d6k n TYR 82 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1d6k s LYS 83 N -1.00 3.30 -1.52 2.98 1.02 -1.26 -4.94 119.74 118.32 1d6k s LYS 83 Ca 0.00 1.08 -0.12 0.00 0.02 0.00 0.00 55.97 56.94 1d6k s LYS 83 Cb 0.00 -2.04 -0.01 0.00 -0.52 0.00 0.00 37.83 35.27 1d6k s LYS 83 CO 0.00 -0.81 2.51 -0.35 -0.92 0.00 0.00 175.35 175.78 1d6k n PRO 84 N -2.32 3.19 -1.86 -1.68 -0.04 -1.26 -4.22 135.00 126.82 1d6k n PRO 84 Ca 0.08 -2.46 0.00 0.00 -0.04 0.00 0.00 63.50 61.08 1d6k n PRO 84 Cb 0.53 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 30.89 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 5.10 0.29 -4.50 0.54 4.76 -1.26 -5.01 118.16 118.09 1d6k n LYS 85 Ca 0.62 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.85 1d6k n LYS 85 Cb 0.33 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.38 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 2.09 -0.14 -0.35 1.43 -1.26 -0.91 118.68 119.54 1d6k s LEU 86 Ca 0.00 -0.34 0.08 0.00 -1.03 0.00 0.00 54.13 52.84 1d6k s LEU 86 Cb 0.00 -0.66 -0.23 0.00 0.03 0.00 0.00 46.19 45.33 1d6k s LEU 86 CO 0.00 0.11 0.28 0.00 0.23 0.00 0.00 176.35 176.97 1d6k n GLN 87 N 2.37 0.68 -3.60 1.70 6.02 0.30 -4.66 117.38 120.19 1d6k n GLN 87 Ca -0.16 0.18 -0.05 0.00 -0.01 0.00 0.00 57.00 56.97 1d6k n GLN 87 Cb 0.55 -1.65 -0.03 0.00 1.02 0.00 0.00 30.24 30.13 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 -2.55 -0.14 -0.00 1.08 5.04 -1.22 -4.84 115.29 112.66 1d6k s HIS 88 Ca -0.15 0.14 -0.07 0.00 -1.54 0.00 0.00 55.06 53.44 1d6k s HIS 88 Cb 0.07 0.50 0.00 0.00 0.04 0.00 0.00 32.58 33.20 1d6k s HIS 88 CO 0.77 -0.19 0.13 0.42 -2.34 0.00 0.00 174.74 173.54 1d6k s ILE 89 N -2.01 0.08 0.23 0.89 1.01 -1.26 -0.30 121.20 119.84 1d6k s ILE 89 Ca 0.08 -0.62 0.09 0.00 0.00 0.00 0.00 60.65 60.20 1d6k s ILE 89 Cb -0.01 -0.40 -0.05 0.00 0.01 0.00 0.00 42.46 42.01 1d6k s ILE 89 CO -0.05 -0.34 -0.16 1.51 0.00 0.00 0.00 174.94 175.91 1d6k s ASP 90 N -1.22 2.90 0.04 3.58 1.47 -0.95 -2.67 116.67 119.82 1d6k s ASP 90 Ca -0.13 -1.03 0.04 0.00 1.18 0.00 0.00 52.55 52.61 1d6k s ASP 90 Cb -0.07 -0.19 -0.02 0.00 -0.34 0.00 0.00 42.92 42.30 1d6k s ASP 90 CO 0.01 -0.12 -0.12 -0.36 0.68 0.00 0.00 175.17 175.26 1d6k s PHE 91 N -2.83 1.08 0.13 2.11 0.40 -0.53 -3.09 117.98 115.24 1d6k s PHE 91 Ca 0.25 -0.35 -0.08 0.00 -0.60 0.00 0.00 56.93 56.15 1d6k s PHE 91 Cb -0.02 -0.64 -0.06 0.00 0.51 0.00 0.00 43.02 42.81 1d6k s PHE 91 CO 0.10 0.01 0.41 0.14 0.70 0.00 0.00 175.22 176.58 1d6k s VAL 92 N -0.87 5.10 -0.66 -0.44 -7.23 0.58 -1.02 120.40 115.86 1d6k s VAL 92 Ca -0.00 0.27 -0.26 0.00 -1.81 0.00 0.00 61.98 60.18 1d6k s VAL 92 Cb -0.08 -3.63 -0.12 0.00 0.56 0.00 0.00 36.38 33.11 1d6k s VAL 92 CO 0.01 0.13 2.43 0.54 -0.31 0.00 0.00 175.10 177.89 1d6k n ARG 93 N 0.39 0.73 0.00 4.82 5.12 0.30 -2.15 116.66 125.88 1d6k n ARG 93 Ca -0.04 -0.30 0.15 0.00 -1.93 0.00 0.00 57.85 55.73 1d6k n ARG 93 Cb 0.52 -3.25 0.72 0.00 -1.16 0.00 0.00 32.46 29.29 1d6k n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70