#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d6k h PHE 2 N 0.00 -0.59 -4.24 3.17 0.04 -1.97 -3.50 116.94 109.86 1d6k h PHE 2 Ca 0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1d6k h PHE 2 Cb 0.00 0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.34 1d6k h PHE 2 CO 0.00 -0.31 -0.87 2.41 -0.60 0.00 0.00 178.31 178.94 1d6k n THR 3 N -5.32-12.40 -3.52 -1.55 -1.04 -1.26 -4.94 114.28 84.25 1d6k n THR 3 Ca -0.11 2.97 -0.40 0.00 -2.04 0.00 0.00 64.05 64.47 1d6k n THR 3 Cb 0.29 -5.54 -0.04 0.00 -1.82 0.00 0.00 70.33 63.22 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 -0.50 4.97 0.01 12.58 -1.09 0.41 -4.92 121.20 132.66 1d6k s ILE 4 Ca 0.00 -3.59 -0.30 0.00 -2.23 0.00 0.00 60.65 54.53 1d6k s ILE 4 Cb 0.00 -4.05 -0.08 0.00 -1.58 0.00 0.00 42.46 36.75 1d6k s ILE 4 CO 0.00 -1.11 1.97 0.20 -1.23 0.00 0.00 174.94 174.77 1d6k s ASN 5 N 0.54 6.38 0.00 3.58 0.02 -1.26 -3.16 114.94 121.04 1d6k s ASN 5 Ca 0.27 2.58 0.00 0.00 -1.02 0.00 0.00 52.86 54.69 1d6k s ASN 5 Cb -0.09 -2.53 0.00 0.00 0.02 0.00 0.00 41.25 38.65 1d6k s ASN 5 CO -0.10 -1.12 0.00 0.00 0.02 0.00 0.00 177.10 175.90 1d6k n ALA 6 N 7.86 0.00 -3.41 0.60 0.00 -0.67 -4.43 120.51 120.46 1d6k n ALA 6 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.50 1d6k n ALA 6 Cb 0.41 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.78 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 0.44 0.68 0.40 0.00 -1.05 -0.58 -1.63 118.70 116.96 1d6k s GLU 7 Ca 0.00 0.54 -0.27 0.00 -0.15 0.00 0.00 54.97 55.09 1d6k s GLU 7 Cb 0.00 0.32 -0.09 0.00 -0.44 0.00 0.00 34.13 33.92 1d6k s GLU 7 CO 0.00 -0.12 1.37 0.14 0.95 0.00 0.00 175.26 177.60 1d6k s VAL 8 N -0.15 2.39 0.06 1.83 -7.23 -1.26 -0.31 120.40 115.72 1d6k s VAL 8 Ca -0.03 0.36 0.01 0.00 -1.81 0.00 0.00 61.98 60.50 1d6k s VAL 8 Cb -0.03 -3.22 -0.03 0.00 0.56 0.00 0.00 36.38 33.66 1d6k s VAL 8 CO 0.02 0.06 -0.05 0.00 -0.31 0.00 0.00 175.10 174.83 1d6k s ARG 9 N -2.19 0.60 0.00 4.82 1.70 -0.29 -4.78 118.95 118.81 1d6k s ARG 9 Ca 0.56 -1.03 0.00 0.00 -0.47 0.00 0.00 55.73 54.79 1d6k s ARG 9 Cb -0.41 -0.06 0.00 0.00 -0.57 0.00 0.00 34.95 33.91 1d6k s ARG 9 CO 0.54 -0.03 0.13 1.63 -1.08 0.00 0.00 175.30 176.49 1d6k n LYS 10 N 0.67 -0.16 0.00 3.89 4.76 -1.26 -4.22 118.16 121.84 1d6k n LYS 10 Ca -0.17 -0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.14 1d6k n LYS 10 Cb 0.58 -0.61 0.00 0.00 -1.84 0.00 0.00 35.03 33.16 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 -0.01 0.63 -0.35 1.97 -0.58 -1.26 -4.58 120.64 116.46 1d6k n GLU 11 Ca 0.00 0.00 0.24 0.00 -0.42 0.00 0.00 57.16 56.98 1d6k n GLU 11 Cb 0.17 -1.05 0.49 0.00 -0.57 0.00 0.00 31.44 30.48 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 0.06 0.36 0.00 3.49 -0.00 -1.94 0.49 115.11 117.57 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 0.05 -0.08 0.00 0.00 -0.00 0.00 0.00 27.48 27.45 1d6k h GLN 12 CO 0.00 0.24 0.00 0.41 -0.00 0.00 0.00 178.83 179.48 1d6k n GLY 13 N -1.39 0.00 0.00 0.06 0.00 -1.26 -4.22 105.19 98.38 1d6k n GLY 13 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1d6k n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d6k n LYS 14 N -0.38 0.00 0.04 1.61 4.76 -1.25 -5.00 118.16 117.94 1d6k n LYS 14 Ca 0.00 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 1d6k n LYS 14 Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 1d6k n LYS 14 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1d6k h GLY 15 N 0.00 -0.44 0.68 0.72 0.00 -1.72 -2.75 103.07 99.56 1d6k h GLY 15 Ca 0.00 0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.65 1d6k h GLY 15 CO 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 176.54 176.24 1d6k h ALA 16 N 0.39 0.15 0.00 3.60 0.00 -1.11 -3.13 119.26 119.15 1d6k h ALA 16 Ca 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1d6k h ALA 16 Cb 0.53 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1d6k h ALA 16 CO -0.29 -0.04 -0.04 0.66 0.00 0.00 0.00 179.25 179.54 1d6k h SER 17 N -0.16 0.00 0.27 0.00 4.64 -1.70 -0.32 113.55 116.27 1d6k h SER 17 Ca 0.02 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.00 1d6k h SER 17 Cb 0.58 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1d6k h SER 17 CO 0.02 0.04 -1.74 0.08 -0.87 0.00 0.00 176.83 174.36 1d6k h ARG 18 N 0.00 0.31 -0.19 4.77 -0.00 -1.59 -3.15 114.38 114.53 1d6k h ARG 18 Ca -0.00 -0.53 -0.13 0.00 -0.00 0.00 0.00 59.98 59.32 1d6k h ARG 18 Cb 0.24 0.20 -0.01 0.00 -0.00 0.00 0.00 29.97 30.40 1d6k h ARG 18 CO 0.01 1.20 -0.45 0.07 -0.00 0.00 0.00 179.97 180.79 1d6k h ARG 19 N 0.08 0.46 0.33 0.08 0.11 -1.16 -0.55 114.38 113.74 1d6k h ARG 19 Ca -0.33 -0.25 -0.02 0.00 0.10 0.00 0.00 59.98 59.49 1d6k h ARG 19 Cb 2.06 0.01 0.00 0.00 1.11 0.00 0.00 29.97 33.15 1d6k h ARG 19 CO 0.15 0.82 -0.16 -0.07 0.10 0.00 0.00 179.97 180.81 1d6k h LEU 20 N 0.38 -0.38 -2.29 0.08 4.07 -1.27 -2.14 115.31 113.76 1d6k h LEU 20 Ca 0.03 -0.17 -0.00 0.00 0.08 0.00 0.00 57.88 57.81 1d6k h LEU 20 Cb 0.93 0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.77 1d6k h LEU 20 CO 0.08 0.03 -0.02 0.08 -1.08 0.00 0.00 178.44 177.53 1d6k h ARG 21 N -0.88 0.00 0.00 1.13 -0.00 -1.52 -0.15 114.38 112.96 1d6k h ARG 21 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.93 1d6k h ARG 21 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.50 1d6k h ARG 21 CO 0.08 0.02 0.00 0.00 -0.00 0.00 0.00 179.97 180.07 1d6k n ALA 22 N -2.37 1.96 -0.77 0.08 0.00 -0.21 -3.29 120.51 115.91 1d6k n ALA 22 Ca -0.03 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.41 1d6k n ALA 22 Cb 0.10 -1.37 0.06 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.59 1.99 -0.97 0.00 0.00 -0.37 -4.99 120.51 114.58 1d6k n ALA 23 Ca 0.05 -1.59 0.00 0.00 0.00 0.00 0.00 53.44 51.90 1d6k n ALA 23 Cb 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.76 -4.74 -4.39 0.00 3.02 -0.69 -5.00 115.26 102.70 1d6k n ASN 24 Ca 0.06 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.33 1d6k n ASN 24 Cb 0.48 -2.55 0.15 0.00 -0.61 0.00 0.00 39.78 37.26 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 -1.36 1.11 0.03 3.52 1.02 -0.21 -3.12 119.74 120.73 1d6k s LYS 25 Ca 0.00 -0.39 -0.28 0.00 0.02 0.00 0.00 55.97 55.32 1d6k s LYS 25 Cb 0.00 -1.94 0.07 0.00 -0.52 0.00 0.00 37.83 35.43 1d6k s LYS 25 CO 0.00 -2.07 0.65 -0.59 -0.92 0.00 0.00 175.35 172.42 1d6k s PHE 26 N -3.70 -0.61 0.68 3.18 -0.71 -0.83 -3.26 117.98 112.73 1d6k s PHE 26 Ca 0.70 0.82 -0.11 0.00 -1.04 0.00 0.00 56.93 57.30 1d6k s PHE 26 Cb -0.06 0.47 -0.00 0.00 -1.21 0.00 0.00 43.02 42.21 1d6k s PHE 26 CO 0.51 -0.70 1.06 -1.25 -1.34 0.00 0.00 175.22 173.49 1d6k s PRO 27 N -2.17 3.09 0.29 1.99 0.04 -1.26 -3.28 135.00 133.70 1d6k s PRO 27 Ca -0.06 0.82 0.03 0.00 0.04 0.00 0.00 61.00 61.83 1d6k s PRO 27 Cb -0.00 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 1d6k s PRO 27 CO 0.01 -0.95 0.32 0.00 0.04 0.00 0.00 177.00 176.41 1d6k n ALA 28 N -3.01 0.25 -2.30 8.56 0.00 -0.71 -4.03 120.51 119.25 1d6k n ALA 28 Ca 0.07 -1.57 -0.08 0.00 0.00 0.00 0.00 53.44 51.87 1d6k n ALA 28 Cb 0.54 1.27 -0.10 0.00 0.00 0.00 0.00 19.45 21.16 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 -3.00 0.19 -0.39 0.00 1.10 -1.12 -2.67 121.20 115.30 1d6k s ILE 29 Ca 0.31 -1.56 0.01 0.00 -0.51 0.00 0.00 60.65 58.90 1d6k s ILE 29 Cb 0.01 -1.32 0.12 0.00 0.15 0.00 0.00 42.46 41.42 1d6k s ILE 29 CO 0.22 -0.86 0.19 -0.63 -2.11 0.00 0.00 174.94 171.74 1d6k s ILE 30 N -3.56 1.27 0.00 2.00 1.01 -0.40 -1.14 121.20 120.38 1d6k s ILE 30 Ca 0.03 -2.19 0.00 0.00 0.00 0.00 0.00 60.65 58.50 1d6k s ILE 30 Cb 0.05 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.61 1d6k s ILE 30 CO -0.09 -0.82 0.00 0.00 0.00 0.00 0.00 174.94 174.04 1d6k n TYR 31 N 3.98 -0.38 -0.98 3.97 0.18 0.14 -1.35 117.16 122.72 1d6k n TYR 31 Ca 0.05 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.83 1d6k n TYR 31 Cb 0.37 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.33 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 5.00 0.56 0.16 -7.48 0.00 -1.26 -0.89 105.19 101.28 1d6k n GLY 32 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1d6k n GLY 32 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1d6k h GLY 33 N 0.00 0.49 0.00 -0.02 0.00 -1.86 -3.45 103.07 98.23 1d6k h GLY 33 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 47.33 46.46 1d6k h GLY 33 CO 0.00 0.77 0.00 1.17 0.00 0.00 0.00 176.54 178.48 1d6k n LYS 34 N -3.76 0.00 0.15 4.80 4.81 -1.26 -4.55 118.16 118.35 1d6k n LYS 34 Ca -0.07 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.42 1d6k n LYS 34 Cb 0.84 -2.09 0.05 0.00 0.02 0.00 0.00 35.03 33.85 1d6k n LYS 34 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1d6k h GLU 35 N 0.90 0.00 0.00 1.64 5.08 -2.02 -3.50 114.58 116.67 1d6k h GLU 35 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 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 0.35 0.00 0.00 -1.00 0.00 0.00 179.01 178.36 1d6k n ALA 36 N -2.21 0.00 -1.00 3.43 0.00 -1.26 -5.15 120.51 114.32 1d6k n ALA 36 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1d6k n ALA 36 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 1d6k n ALA 36 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1d6k n PRO 37 N 0.87 0.11 -3.35 0.00 -0.02 -1.26 -4.72 135.00 126.64 1d6k n PRO 37 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 1d6k n PRO 37 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.40 1d6k n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1d6k s LEU 38 N 0.00 -0.57 0.21 2.45 2.96 -0.46 -4.96 118.68 118.31 1d6k s LEU 38 Ca 0.00 -0.33 -0.30 0.00 -0.22 0.00 0.00 54.13 53.28 1d6k s LEU 38 Cb 0.00 0.92 -0.08 0.00 0.50 0.00 0.00 46.19 47.52 1d6k s LEU 38 CO 0.00 -0.35 1.20 0.00 -1.32 0.00 0.00 176.35 175.88 1d6k s ALA 39 N 2.49 3.45 0.00 5.97 0.00 -1.26 -1.27 121.76 131.13 1d6k s ALA 39 Ca 0.10 0.98 0.03 0.00 0.00 0.00 0.00 51.96 53.07 1d6k s ALA 39 Cb -0.14 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 1d6k s ALA 39 CO -0.27 -0.38 -0.09 0.96 0.00 0.00 0.00 175.76 175.98 1d6k s ILE 40 N -0.27 0.73 -0.30 0.00 -0.00 -1.09 -1.14 121.20 119.13 1d6k s ILE 40 Ca 0.52 -0.47 -0.21 0.00 -0.00 0.00 0.00 60.65 60.48 1d6k s ILE 40 Cb -0.33 -0.63 -0.01 0.00 -0.00 0.00 0.00 42.46 41.49 1d6k s ILE 40 CO 0.39 0.15 0.67 -0.70 -0.00 0.00 0.00 174.94 175.45 1d6k s GLU 41 N -0.37 3.96 0.23 0.37 2.12 0.57 -1.75 118.70 123.83 1d6k s GLU 41 Ca 0.03 0.42 0.01 0.00 0.36 0.00 0.00 54.97 55.79 1d6k s GLU 41 Cb -0.04 -3.71 -0.05 0.00 0.26 0.00 0.00 34.13 30.59 1d6k s GLU 41 CO -0.00 -0.57 0.07 -0.48 -0.54 0.00 0.00 175.26 173.74 1d6k s LEU 42 N 2.68 1.75 0.11 2.70 2.34 -1.21 -1.53 118.68 125.52 1d6k s LEU 42 Ca 0.27 -1.32 -0.30 0.00 0.06 0.00 0.00 54.13 52.84 1d6k s LEU 42 Cb -0.15 0.02 -0.06 0.00 -0.56 0.00 0.00 46.19 45.44 1d6k s LEU 42 CO 0.11 -0.69 1.14 -0.62 -1.06 0.00 0.00 176.35 175.23 1d6k s ASP 43 N -3.26 7.18 0.02 1.48 -1.08 -1.26 -1.96 116.67 117.79 1d6k s ASP 43 Ca 0.34 2.02 -0.24 0.00 -0.52 0.00 0.00 52.55 54.15 1d6k s ASP 43 Cb 0.07 -2.59 -0.17 0.00 -1.46 0.00 0.00 42.92 38.77 1d6k s ASP 43 CO 0.11 -0.35 1.43 -0.74 0.52 0.00 0.00 175.17 176.14 1d6k h HIS 44 N 6.04 0.07 0.00 -5.34 -0.00 -1.82 -2.25 115.15 111.86 1d6k h HIS 44 Ca -0.43 -0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 59.84 1d6k h HIS 44 Cb 1.21 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.59 1d6k h HIS 44 CO 0.65 0.38 -0.43 0.22 -0.00 0.00 0.00 177.93 178.75 1d6k h ASP 45 N -0.26 0.00 0.00 3.26 3.58 -1.93 0.17 116.42 121.24 1d6k h ASP 45 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1d6k h ASP 45 Cb 0.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.40 1d6k h ASP 45 CO 0.00 0.43 0.00 1.17 -2.88 0.00 0.00 179.24 177.96 1d6k n LYS 46 N -3.66 0.00 0.18 0.28 4.81 -1.24 -3.29 118.16 115.25 1d6k n LYS 46 Ca -0.01 0.18 0.17 0.00 -0.87 0.00 0.00 58.31 57.78 1d6k n LYS 46 Cb 0.52 -1.11 0.81 0.00 0.02 0.00 0.00 35.03 35.26 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 0.50 -0.17 3.15 3.04 -1.01 0.80 116.25 122.55 1d6k h VAL 47 Ca 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.71 1d6k h VAL 47 Cb 0.00 0.82 -0.04 0.00 -2.01 0.00 0.00 31.29 30.06 1d6k h VAL 47 CO 0.00 0.00 -0.32 -0.03 -1.01 0.00 0.00 177.57 176.21 1d6k h MET 48 N 0.00 -0.26 0.00 4.17 1.85 -0.78 0.31 114.93 120.21 1d6k h MET 48 Ca 0.10 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.21 1d6k h MET 48 Cb 0.56 0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.65 1d6k h MET 48 CO -0.00 -0.17 0.01 -0.97 -0.40 0.00 0.00 176.91 175.37 1d6k h ASN 49 N -0.27 0.00 0.00 1.39 -1.24 -0.83 -1.85 115.58 112.78 1d6k h ASN 49 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1d6k h ASN 49 Cb 0.36 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.41 1d6k h ASN 49 CO -0.31 0.00 -0.04 0.24 -1.29 0.00 0.00 177.43 176.03 1d6k h MET 50 N 0.00 0.00 0.00 6.67 2.86 -0.95 -3.37 114.93 120.15 1d6k h MET 50 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1d6k h MET 50 Cb 0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 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 -2.48 0.01 0.29 1.72 -0.00 0.94 -2.33 117.38 115.54 1d6k n GLN 51 Ca -0.01 0.39 0.19 0.00 -0.00 0.00 0.00 57.00 57.57 1d6k n GLN 51 Cb 0.02 -1.50 0.99 0.00 -0.00 0.00 0.00 30.24 29.75 1d6k n GLN 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1d6k h ALA 52 N 2.09 1.38 -3.19 2.61 0.00 -1.49 -3.45 119.26 117.22 1d6k h ALA 52 Ca 0.00 -0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 1d6k h ALA 52 Cb 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.63 1d6k h ALA 52 CO 0.00 -0.14 -0.79 -1.59 0.00 0.00 0.00 179.25 176.74 1d6k s LYS 53 N -4.37 1.08 0.37 0.00 0.00 -0.98 -5.04 119.74 110.79 1d6k s LYS 53 Ca -0.05 -1.22 0.07 0.00 0.00 0.00 0.00 55.97 54.78 1d6k s LYS 53 Cb 0.13 -1.13 0.72 0.00 0.00 0.00 0.00 37.83 37.56 1d6k s LYS 53 CO 0.45 0.24 1.91 0.00 0.00 0.00 0.00 175.35 177.95 1d6k h ALA 54 N 3.72 1.47 -0.47 0.59 0.00 -1.89 -2.17 119.26 120.51 1d6k h ALA 54 Ca -0.42 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 1d6k h ALA 54 Cb 1.19 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1d6k h ALA 54 CO 0.46 0.38 -0.13 0.93 0.00 0.00 0.00 179.25 180.89 1d6k h GLU 55 N 0.36 0.88 -0.49 0.00 5.08 -1.96 -0.65 114.58 117.79 1d6k h GLU 55 Ca 0.08 -0.32 0.05 0.00 -1.00 0.00 0.00 59.36 58.17 1d6k h GLU 55 Cb 0.32 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 1d6k h GLU 55 CO 0.01 0.96 0.23 0.35 -1.00 0.00 0.00 179.01 179.57 1d6k h PHE 56 N 0.79 0.43 0.00 4.33 3.04 -1.62 0.62 116.94 124.53 1d6k h PHE 56 Ca 0.12 0.02 -0.22 0.00 3.98 0.00 0.00 57.97 61.88 1d6k h PHE 56 Cb 0.65 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 39.04 1d6k h PHE 56 CO 0.04 0.20 -0.93 0.10 -2.02 0.00 0.00 178.31 175.70 1d6k h TYR 57 N 0.46 0.54 0.00 0.41 -0.00 -1.50 -3.31 116.97 113.57 1d6k h TYR 57 Ca 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 58.73 58.66 1d6k h TYR 57 Cb 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 36.73 36.82 1d6k h TYR 57 CO -0.11 1.11 -0.41 1.03 -0.00 0.00 0.00 178.16 179.78 1d6k h SER 58 N 0.20 0.00 -1.80 0.10 0.87 -0.89 -3.38 113.55 108.66 1d6k h SER 58 Ca -0.07 -0.10 -0.60 0.00 -1.23 0.00 0.00 61.79 59.79 1d6k h SER 58 Cb 1.57 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.40 1d6k h SER 58 CO 0.16 0.05 -0.58 -1.61 -0.53 0.00 0.00 176.83 174.32 1d6k s GLU 59 N -3.18 1.95 0.37 2.24 0.41 0.19 -5.04 118.70 115.64 1d6k s GLU 59 Ca 0.07 -2.14 -0.15 0.00 -0.41 0.00 0.00 54.97 52.34 1d6k s GLU 59 Cb 0.11 -1.40 -0.09 0.00 -1.78 0.00 0.00 34.13 30.98 1d6k s GLU 59 CO 0.69 -0.17 0.79 0.54 -0.49 0.00 0.00 175.26 176.62 1d6k s VAL 60 N -2.89 4.65 0.24 2.63 0.11 -1.26 -4.58 120.40 119.29 1d6k s VAL 60 Ca 0.29 0.98 0.11 0.00 -2.93 0.00 0.00 61.98 60.43 1d6k s VAL 60 Cb 0.08 -3.64 -0.05 0.00 -1.53 0.00 0.00 36.38 31.24 1d6k s VAL 60 CO 0.14 -0.32 -0.18 -0.76 -3.33 0.00 0.00 175.10 170.65 1d6k s LEU 61 N -3.28 2.64 -0.35 2.54 1.43 0.56 -4.93 118.68 117.28 1d6k s LEU 61 Ca 0.55 -0.89 -0.04 0.00 -1.03 0.00 0.00 54.13 52.72 1d6k s LEU 61 Cb -0.10 -1.24 0.07 0.00 0.03 0.00 0.00 46.19 44.94 1d6k s LEU 61 CO 0.21 0.07 0.11 -0.89 0.23 0.00 0.00 176.35 176.08 1d6k s THR 62 N -2.12 3.42 -0.58 5.49 2.01 -1.26 -1.80 115.64 120.79 1d6k s THR 62 Ca 0.26 -1.50 -0.25 0.00 0.31 0.00 0.00 61.69 60.52 1d6k s THR 62 Cb -0.07 -3.07 0.04 0.00 0.01 0.00 0.00 72.50 69.41 1d6k s THR 62 CO 0.14 -0.33 1.01 -0.63 -0.69 0.00 0.00 174.62 174.12 1d6k s ILE 63 N 1.28 4.27 -1.13 1.82 -1.09 0.11 -0.45 121.20 126.01 1d6k s ILE 63 Ca 0.00 0.31 -0.15 0.00 -2.23 0.00 0.00 60.65 58.59 1d6k s ILE 63 Cb -0.21 -4.61 0.17 0.00 -1.58 0.00 0.00 42.46 36.23 1d6k s ILE 63 CO -0.01 -1.24 1.33 -0.69 -1.23 0.00 0.00 174.94 173.10 1d6k s VAL 64 N 4.25 5.03 -0.66 2.92 1.01 -1.19 -0.57 120.40 131.19 1d6k s VAL 64 Ca 0.32 -2.43 -0.27 0.00 0.00 0.00 0.00 61.98 59.60 1d6k s VAL 64 Cb -0.12 -4.85 0.00 0.00 0.00 0.00 0.00 36.38 31.41 1d6k s VAL 64 CO 0.19 -1.56 1.60 0.68 0.00 0.00 0.00 175.10 176.01 1d6k s VAL 65 N 1.65 3.53 -1.47 2.92 -7.23 0.61 -1.66 120.40 118.74 1d6k s VAL 65 Ca 0.39 0.31 -0.00 0.00 -1.81 0.00 0.00 61.98 60.87 1d6k s VAL 65 Cb -0.04 -4.37 0.00 0.00 0.56 0.00 0.00 36.38 32.53 1d6k s VAL 65 CO -0.03 -1.31 0.02 -0.67 -0.31 0.00 0.00 175.10 172.80 1d6k n ASP 66 N 11.19 -5.06 0.00 4.85 2.03 -0.65 -1.15 116.55 127.76 1d6k n ASP 66 Ca 0.13 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1d6k n ASP 66 Cb 0.51 -4.24 0.00 0.00 -0.72 0.00 0.00 41.12 36.67 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 -0.95 0.42 3.58 0.27 0.00 -1.25 -5.07 105.19 102.20 1d6k n GLY 67 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.97 3.91 -0.44 1.61 1.02 -0.30 -5.02 119.74 119.55 1d6k s LYS 68 Ca 0.00 -0.36 -0.15 0.00 0.02 0.00 0.00 55.97 55.49 1d6k s LYS 68 Cb 0.00 -3.40 0.05 0.00 -0.52 0.00 0.00 37.83 33.96 1d6k s LYS 68 CO 0.00 0.02 0.34 -1.21 -0.92 0.00 0.00 175.35 173.58 1d6k s GLU 69 N 1.10 2.94 -0.16 1.68 2.02 -1.26 -0.29 118.70 124.73 1d6k s GLU 69 Ca 0.06 -1.21 -0.03 0.00 0.02 0.00 0.00 54.97 53.81 1d6k s GLU 69 Cb -0.14 -4.02 -0.02 0.00 0.10 0.00 0.00 34.13 30.05 1d6k s GLU 69 CO 0.04 -0.89 -0.07 0.42 0.02 0.00 0.00 175.26 174.78 1d6k s ILE 70 N 1.64 3.48 -0.13 -1.63 1.09 0.27 -4.88 121.20 121.04 1d6k s ILE 70 Ca 0.04 -0.49 -0.23 0.00 -1.10 0.00 0.00 60.65 58.87 1d6k s ILE 70 Cb -0.22 -2.52 -0.03 0.00 -1.06 0.00 0.00 42.46 38.63 1d6k s ILE 70 CO 0.08 0.49 0.71 -0.54 -0.10 0.00 0.00 174.94 175.57 1d6k s LYS 71 N 0.63 4.34 0.14 2.79 -0.14 -1.26 0.04 119.74 126.28 1d6k s LYS 71 Ca -0.04 0.83 -0.14 0.00 -1.36 0.00 0.00 55.97 55.26 1d6k s LYS 71 Cb -0.15 -3.51 0.02 0.00 -1.68 0.00 0.00 37.83 32.51 1d6k s LYS 71 CO 0.03 -0.11 0.37 0.14 -0.76 0.00 0.00 175.35 175.02 1d6k s VAL 72 N 1.42 0.07 -0.03 3.17 -7.23 -0.75 -1.44 120.40 115.62 1d6k s VAL 72 Ca 0.35 -0.82 0.03 0.00 -1.81 0.00 0.00 61.98 59.73 1d6k s VAL 72 Cb -0.17 -1.36 0.00 0.00 0.56 0.00 0.00 36.38 35.42 1d6k s VAL 72 CO 0.14 -0.33 -0.10 -0.54 -0.31 0.00 0.00 175.10 173.96 1d6k s LYS 73 N -3.85 1.03 0.46 4.82 1.02 -0.68 -0.32 119.74 122.22 1d6k s LYS 73 Ca 0.06 -0.34 -0.24 0.00 0.02 0.00 0.00 55.97 55.47 1d6k s LYS 73 Cb 0.02 -0.96 -0.08 0.00 -0.52 0.00 0.00 37.83 36.29 1d6k s LYS 73 CO -0.09 0.13 1.30 0.00 -0.92 0.00 0.00 175.35 175.78 1d6k n ALA 74 N 3.25 1.43 0.00 5.17 0.00 -1.26 -0.46 120.51 128.63 1d6k n ALA 74 Ca -0.18 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1d6k n ALA 74 Cb 0.54 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1d6k n ALA 74 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1d6k n GLN 75 N -0.28 1.03 -3.18 0.00 -0.06 -1.18 -4.84 117.38 108.88 1d6k n GLN 75 Ca 0.07 0.00 0.01 0.00 -2.00 0.00 0.00 57.00 55.09 1d6k n GLN 75 Cb 0.41 -0.61 -0.01 0.00 -4.06 0.00 0.00 30.24 25.97 1d6k n GLN 75 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1d6k s ASP 76 N -1.40 -1.22 -0.06 1.69 2.15 -1.26 -5.05 116.67 111.52 1d6k s ASP 76 Ca 0.00 0.09 -0.15 0.00 0.43 0.00 0.00 52.55 52.92 1d6k s ASP 76 Cb 0.00 1.85 -0.05 0.00 -0.30 0.00 0.00 42.92 44.42 1d6k s ASP 76 CO 0.00 -0.31 0.39 0.68 -0.17 0.00 0.00 175.17 175.76 1d6k s VAL 77 N 2.77 5.14 -0.10 1.11 -7.23 -1.26 -2.06 120.40 118.77 1d6k s VAL 77 Ca 0.10 0.78 -0.09 0.00 -1.81 0.00 0.00 61.98 60.96 1d6k s VAL 77 Cb -0.11 -3.70 -0.04 0.00 0.56 0.00 0.00 36.38 33.09 1d6k s VAL 77 CO -0.27 0.49 0.21 -1.10 -0.31 0.00 0.00 175.10 174.13 1d6k s GLN 78 N -0.45 3.63 0.06 4.82 -0.21 -0.19 -5.01 119.66 122.31 1d6k s GLN 78 Ca 0.22 0.01 0.07 0.00 0.02 0.00 0.00 55.36 55.68 1d6k s GLN 78 Cb -0.15 -3.22 -0.03 0.00 1.00 0.00 0.00 33.01 30.61 1d6k s GLN 78 CO 0.11 0.71 -0.18 1.03 -2.12 0.00 0.00 175.29 174.84 1d6k s ARG 79 N -0.91 1.15 0.73 2.91 1.81 -1.26 -3.68 118.95 119.70 1d6k s ARG 79 Ca 0.17 -0.93 -0.11 0.00 -1.72 0.00 0.00 55.73 53.14 1d6k s ARG 79 Cb -0.13 -1.25 0.03 0.00 -0.45 0.00 0.00 34.95 33.15 1d6k s ARG 79 CO 0.06 0.31 1.09 -1.58 -0.68 0.00 0.00 175.30 174.50 1d6k s HIS 80 N -0.92 3.15 -1.53 -0.53 2.46 0.20 -4.90 115.29 113.23 1d6k s HIS 80 Ca 0.05 1.11 0.29 0.00 0.47 0.00 0.00 55.06 56.98 1d6k s HIS 80 Cb -0.09 -3.06 1.28 0.00 -0.13 0.00 0.00 32.58 30.58 1d6k s HIS 80 CO 0.02 -1.37 1.90 -0.35 -2.47 0.00 0.00 174.74 172.47 1d6k n PRO 81 N -3.15 0.55 0.11 2.88 -0.04 -1.26 -4.50 135.00 129.59 1d6k n PRO 81 Ca 0.07 -0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1d6k n PRO 81 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1d6k n PRO 81 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1d6k n TYR 82 N -1.10 -1.77 -1.94 0.54 4.01 -1.26 -5.11 117.16 110.54 1d6k n TYR 82 Ca 0.14 0.31 -0.29 0.00 -0.16 0.00 0.00 57.90 57.90 1d6k n TYR 82 Cb 0.27 0.47 0.07 0.00 -0.31 0.00 0.00 39.34 39.84 1d6k n TYR 82 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1d6k s LYS 83 N -1.83 2.28 0.00 -0.72 -2.85 -1.26 -5.00 119.74 110.35 1d6k s LYS 83 Ca 0.00 0.18 0.30 0.00 -1.00 0.00 0.00 55.97 55.45 1d6k s LYS 83 Cb 0.00 -2.00 1.69 0.00 -2.06 0.00 0.00 37.83 35.46 1d6k s LYS 83 CO 0.00 -1.37 2.10 -0.35 0.10 0.00 0.00 175.35 175.83 1d6k n PRO 84 N -3.17 1.11 -0.89 1.78 -0.04 -1.26 -3.40 135.00 129.14 1d6k n PRO 84 Ca 0.08 -0.16 -0.33 0.00 -0.04 0.00 0.00 63.50 63.05 1d6k n PRO 84 Cb 0.60 -1.48 0.13 0.00 -0.04 0.00 0.00 33.50 32.71 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 -0.79 -0.16 -3.92 0.54 4.76 -1.26 -3.86 118.16 113.47 1d6k n LYS 85 Ca 0.22 0.01 -0.34 0.00 -2.87 0.00 0.00 58.31 55.33 1d6k n LYS 85 Cb 0.14 -2.11 -0.14 0.00 -1.84 0.00 0.00 35.03 31.09 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 -3.35 4.24 0.39 -0.35 1.43 -1.26 -0.62 118.68 119.16 1d6k s LEU 86 Ca 0.64 -1.56 0.18 0.00 -1.03 0.00 0.00 54.13 52.35 1d6k s LEU 86 Cb -0.25 -1.71 0.82 0.00 0.03 0.00 0.00 46.19 45.09 1d6k s LEU 86 CO 0.60 -0.33 1.82 1.56 0.23 0.00 0.00 176.35 180.24 1d6k h GLN 87 N 7.93 0.00 0.00 1.70 7.50 -1.91 -3.48 115.11 126.85 1d6k h GLN 87 Ca -0.17 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.98 1d6k h GLN 87 Cb 1.05 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.58 1d6k h GLN 87 CO 0.56 0.34 0.00 1.58 -1.50 0.00 0.00 178.83 179.81 1d6k n HIS 88 N -3.78 0.00 -3.85 2.96 -0.00 -1.26 -4.83 115.22 104.46 1d6k n HIS 88 Ca -0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.59 1d6k n HIS 88 Cb 0.43 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.32 1d6k n HIS 88 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1d6k s ILE 89 N -2.00 0.07 0.24 3.57 1.01 -1.26 -1.03 121.20 121.81 1d6k s ILE 89 Ca 0.00 -0.57 0.07 0.00 0.00 0.00 0.00 60.65 60.15 1d6k s ILE 89 Cb 0.00 -0.44 -0.05 0.00 0.01 0.00 0.00 42.46 41.98 1d6k s ILE 89 CO 0.00 -0.31 -0.09 1.51 0.00 0.00 0.00 174.94 176.04 1d6k s ASP 90 N -1.18 2.62 0.06 3.58 1.47 -0.87 -2.81 116.67 119.54 1d6k s ASP 90 Ca -0.13 -1.12 0.03 0.00 1.18 0.00 0.00 52.55 52.51 1d6k s ASP 90 Cb -0.06 -0.14 -0.03 0.00 -0.34 0.00 0.00 42.92 42.34 1d6k s ASP 90 CO 0.02 -0.28 -0.09 -0.36 0.68 0.00 0.00 175.17 175.14 1d6k s PHE 91 N -3.02 0.81 0.03 2.11 0.08 -0.29 -3.11 117.98 114.59 1d6k s PHE 91 Ca 0.26 -0.57 0.01 0.00 0.12 0.00 0.00 56.93 56.76 1d6k s PHE 91 Cb 0.02 -0.47 -0.04 0.00 -0.57 0.00 0.00 43.02 41.96 1d6k s PHE 91 CO 0.10 -0.07 0.08 0.14 -0.10 0.00 0.00 175.22 175.37 1d6k s VAL 92 N -1.79 4.67 -0.78 -0.44 -7.23 0.39 -0.68 120.40 114.52 1d6k s VAL 92 Ca -0.04 -0.56 -0.24 0.00 -1.81 0.00 0.00 61.98 59.33 1d6k s VAL 92 Cb -0.07 -3.19 -0.16 0.00 0.56 0.00 0.00 36.38 33.52 1d6k s VAL 92 CO -0.00 0.25 2.39 0.54 -0.31 0.00 0.00 175.10 177.96 1d6k n ARG 93 N 0.84 0.53 0.00 4.82 5.12 -0.07 -1.69 116.66 126.20 1d6k n ARG 93 Ca -0.11 -0.60 0.10 0.00 -1.93 0.00 0.00 57.85 55.32 1d6k n ARG 93 Cb 0.52 -3.23 0.62 0.00 -1.16 0.00 0.00 32.46 29.21 1d6k n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70