#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 -2.61 1.12 3.72 -1.26 -4.97 117.46 113.46 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 -0.45 -0.03 0.00 -0.94 0.00 0.00 39.48 38.06 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 -2.72-12.51 -3.30 4.37 -1.04 -1.26 -4.92 114.28 92.90 1d6k n THR 3 Ca 0.00 2.46 -0.46 0.00 -2.04 0.00 0.00 64.05 64.01 1d6k n THR 3 Cb 0.00 -6.64 -0.01 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 -0.97 5.73 -0.04 12.58 -1.09 -0.09 -4.86 121.20 132.47 1d6k s ILE 4 Ca -0.19 -2.87 -0.29 0.00 -2.23 0.00 0.00 60.65 55.06 1d6k s ILE 4 Cb 0.01 -4.56 -0.08 0.00 -1.58 0.00 0.00 42.46 36.26 1d6k s ILE 4 CO 0.78 -1.14 2.01 0.20 -1.23 0.00 0.00 174.94 175.56 1d6k s ASN 5 N 1.87 6.19 0.00 3.58 0.02 -1.26 -3.18 114.94 122.15 1d6k s ASN 5 Ca 0.25 2.42 0.00 0.00 -1.02 0.00 0.00 52.86 54.51 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 -0.08 -1.30 0.00 0.00 0.02 0.00 0.00 177.10 175.74 1d6k n ALA 6 N 8.66 0.00 -3.55 0.60 0.00 -0.65 -4.43 120.51 121.14 1d6k n ALA 6 Ca 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.51 1d6k n ALA 6 Cb 0.42 0.00 -0.07 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 0.49 0.85 0.19 0.00 -1.05 -0.38 -1.54 118.70 117.27 1d6k s GLU 7 Ca 0.00 0.71 -0.31 0.00 -0.15 0.00 0.00 54.97 55.22 1d6k s GLU 7 Cb 0.00 0.41 -0.10 0.00 -0.44 0.00 0.00 34.13 34.00 1d6k s GLU 7 CO 0.00 -0.16 1.51 0.14 0.95 0.00 0.00 175.26 177.70 1d6k s VAL 8 N -0.12 2.67 0.02 1.83 -7.23 -1.26 -0.19 120.40 116.13 1d6k s VAL 8 Ca -0.03 0.51 0.05 0.00 -1.81 0.00 0.00 61.98 60.70 1d6k s VAL 8 Cb -0.03 -3.33 -0.02 0.00 0.56 0.00 0.00 36.38 33.56 1d6k s VAL 8 CO 0.03 0.06 -0.15 0.00 -0.31 0.00 0.00 175.10 174.73 1d6k s ARG 9 N 0.55 1.12 0.00 4.82 1.04 0.02 -4.81 118.95 121.69 1d6k s ARG 9 Ca 0.66 -0.69 0.00 0.00 -1.04 0.00 0.00 55.73 54.66 1d6k s ARG 9 Cb -0.43 -1.13 0.00 0.00 -2.04 0.00 0.00 34.95 31.36 1d6k s ARG 9 CO 0.36 0.29 0.15 1.63 -0.04 0.00 0.00 175.30 177.70 1d6k n LYS 10 N 2.25 -0.26 0.00 3.89 4.76 -1.26 -4.21 118.16 123.32 1d6k n LYS 10 Ca -0.16 -0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.12 1d6k n LYS 10 Cb 0.55 -0.65 0.00 0.00 -1.84 0.00 0.00 35.03 33.09 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 -0.01 0.60 0.10 1.97 0.00 -1.26 -4.42 120.64 117.62 1d6k n GLU 11 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 57.16 57.36 1d6k n GLU 11 Cb 0.17 -1.07 0.76 0.00 0.00 0.00 0.00 31.44 31.29 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 0.10 0.00 -1.14 3.44 -0.00 -1.95 -0.01 115.11 115.55 1d6k h GLN 12 Ca 0.00 0.00 0.33 0.00 -0.00 0.00 0.00 58.65 58.98 1d6k h GLN 12 Cb 0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.51 1d6k h GLN 12 CO 0.00 0.00 0.99 0.41 -0.00 0.00 0.00 178.83 180.23 1d6k n GLY 13 N -1.49 -0.65 0.00 0.06 0.00 -1.26 -4.55 105.19 97.29 1d6k n GLY 13 Ca 0.06 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -3.09 0.00 -0.31 1.61 0.00 -1.09 -5.03 118.16 110.25 1d6k n LYS 14 Ca 0.26 0.00 0.11 0.00 0.00 0.00 0.00 58.31 58.68 1d6k n LYS 14 Cb 1.33 0.00 0.28 0.00 0.00 0.00 0.00 35.03 36.64 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 1.55 0.77 3.14 0.00 -1.70 -1.54 103.07 105.29 1d6k h GLY 15 Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1d6k h GLY 15 CO 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 176.54 176.42 1d6k h ALA 16 N 1.64 0.05 0.00 3.60 0.00 -1.29 -2.45 119.26 120.80 1d6k h ALA 16 Ca 0.53 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1d6k h ALA 16 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1d6k h ALA 16 CO -0.43 -0.33 0.00 0.77 0.00 0.00 0.00 179.25 179.27 1d6k h SER 17 N -0.18 0.00 0.02 0.00 0.02 -1.52 -0.34 113.55 111.55 1d6k h SER 17 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1d6k h SER 17 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1d6k h SER 17 CO 0.00 0.00 -1.91 -2.11 -1.14 0.00 0.00 176.83 171.67 1d6k n ARG 18 N -2.47 0.62 0.09 3.45 -4.01 -1.07 -3.21 116.66 110.05 1d6k n ARG 18 Ca 0.00 -0.18 -0.13 0.00 -1.04 0.00 0.00 57.85 56.50 1d6k n ARG 18 Cb 0.15 -1.53 -0.07 0.00 -3.04 0.00 0.00 32.46 27.98 1d6k n ARG 18 CO 0.00 0.00 0.00 0.07 -3.04 0.00 0.00 177.63 174.66 1d6k h ARG 19 N 0.00 0.28 0.52 2.89 0.11 -0.92 -2.90 114.38 114.36 1d6k h ARG 19 Ca 0.00 -0.37 -0.03 0.00 0.10 0.00 0.00 59.98 59.69 1d6k h ARG 19 Cb 0.97 0.12 0.01 0.00 1.11 0.00 0.00 29.97 32.17 1d6k h ARG 19 CO 0.00 1.10 -0.25 -0.07 0.10 0.00 0.00 179.97 180.85 1d6k h LEU 20 N 0.13 -0.59 -1.89 0.08 3.38 -1.22 -2.07 115.31 113.12 1d6k h LEU 20 Ca -0.09 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 57.88 1d6k h LEU 20 Cb 1.71 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 1d6k h LEU 20 CO 0.17 -0.21 0.18 0.08 0.09 0.00 0.00 178.44 178.74 1d6k h ARG 21 N -1.06 0.13 0.00 1.13 -0.00 -1.54 -0.30 114.38 112.75 1d6k h ARG 21 Ca -0.07 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.90 1d6k h ARG 21 Cb 0.61 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.55 1d6k h ARG 21 CO 0.12 0.09 0.00 0.00 -0.00 0.00 0.00 179.97 180.18 1d6k n ALA 22 N -2.55 1.71 -1.14 0.08 0.00 -0.99 -3.42 120.51 114.21 1d6k n ALA 22 Ca 0.02 0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.54 1d6k n ALA 22 Cb 0.24 -1.34 0.07 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.66 2.04 -1.14 0.00 0.00 -0.48 -4.98 120.51 114.29 1d6k n ALA 23 Ca 0.03 -1.76 -0.05 0.00 0.00 0.00 0.00 53.44 51.66 1d6k n ALA 23 Cb 0.22 -0.32 -0.02 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.79 -5.20 -4.81 0.00 3.02 -0.96 -4.99 115.26 101.54 1d6k n ASN 24 Ca 0.08 0.12 -0.23 0.00 -0.03 0.00 0.00 54.58 54.51 1d6k n ASN 24 Cb 0.58 -3.11 0.08 0.00 -0.61 0.00 0.00 39.78 36.72 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 -2.07 2.03 0.06 3.52 1.02 -0.24 -2.94 119.74 121.11 1d6k s LYS 25 Ca 0.00 -0.82 -0.17 0.00 0.02 0.00 0.00 55.97 55.01 1d6k s LYS 25 Cb 0.00 -2.34 0.03 0.00 -0.52 0.00 0.00 37.83 35.00 1d6k s LYS 25 CO 0.00 -1.19 0.38 -0.59 -0.92 0.00 0.00 175.35 173.04 1d6k s PHE 26 N -3.05 -0.21 0.72 3.18 -0.71 -0.83 -3.31 117.98 113.76 1d6k s PHE 26 Ca 0.62 0.10 -0.12 0.00 -1.04 0.00 0.00 56.93 56.49 1d6k s PHE 26 Cb -0.08 0.19 0.03 0.00 -1.21 0.00 0.00 43.02 41.96 1d6k s PHE 26 CO 0.43 -0.58 1.09 -1.25 -1.34 0.00 0.00 175.22 173.56 1d6k s PRO 27 N -2.75 2.55 0.32 1.99 0.04 -1.26 -3.21 135.00 132.69 1d6k s PRO 27 Ca -0.04 1.18 0.03 0.00 0.04 0.00 0.00 61.00 62.22 1d6k s PRO 27 Cb -0.00 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 1d6k s PRO 27 CO -0.04 -1.41 0.33 0.00 0.04 0.00 0.00 177.00 175.91 1d6k s ALA 28 N -2.78 1.41 0.09 8.56 0.00 -0.98 -3.97 121.76 124.09 1d6k s ALA 28 Ca 0.62 -1.84 0.01 0.00 0.00 0.00 0.00 51.96 50.75 1d6k s ALA 28 Cb -0.17 1.36 -0.04 0.00 0.00 0.00 0.00 23.12 24.27 1d6k s ALA 28 CO 0.51 -0.70 -0.06 -1.50 0.00 0.00 0.00 175.76 174.01 1d6k s ILE 29 N -3.40 0.64 -0.42 0.00 1.10 -1.04 -2.08 121.20 115.99 1d6k s ILE 29 Ca 0.37 -1.89 0.02 0.00 -0.51 0.00 0.00 60.65 58.64 1d6k s ILE 29 Cb 0.02 -1.62 0.13 0.00 0.15 0.00 0.00 42.46 41.14 1d6k s ILE 29 CO 0.23 -0.87 0.22 -0.63 -2.11 0.00 0.00 174.94 171.78 1d6k s ILE 30 N -3.57 1.39 0.16 2.00 1.01 -0.16 -1.19 121.20 120.85 1d6k s ILE 30 Ca 0.10 -2.43 0.01 0.00 0.00 0.00 0.00 60.65 58.34 1d6k s ILE 30 Cb 0.05 -1.98 0.01 0.00 0.01 0.00 0.00 42.46 40.55 1d6k s ILE 30 CO -0.05 -0.86 0.10 0.00 0.00 0.00 0.00 174.94 174.13 1d6k n TYR 31 N 3.71 -0.91 -1.88 3.97 0.18 -0.51 -0.85 117.16 120.87 1d6k n TYR 31 Ca 0.07 -0.71 -0.02 0.00 1.88 0.00 0.00 57.90 59.12 1d6k n TYR 31 Cb 0.35 -0.13 0.00 0.00 -0.38 0.00 0.00 39.34 39.19 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 3.05 -1.34 0.00 -7.48 0.00 -1.26 -1.74 105.19 96.42 1d6k n GLY 32 Ca -0.02 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.31 -0.38 0.00 -0.02 0.00 -1.26 -3.33 105.19 99.89 1d6k n GLY 33 Ca 0.03 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 1.61 3.00 -1.26 -5.03 118.16 116.48 1d6k n LYS 34 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1d6k n LYS 34 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1d6k n LYS 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1d6k n GLU 35 N 0.00 1.06 -0.49 1.64 1.02 -1.26 -5.12 120.64 117.50 1d6k n GLU 35 Ca 0.00 -0.90 0.06 0.00 -0.02 0.00 0.00 57.16 56.30 1d6k n GLU 35 Cb 0.03 -0.87 -0.03 0.00 -0.02 0.00 0.00 31.44 30.55 1d6k n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1d6k n ALA 36 N -0.23 -1.28 -2.47 0.62 0.00 -1.26 -5.10 120.51 110.80 1d6k n ALA 36 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1d6k n ALA 36 Cb 0.22 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -2.84 1.58 -3.23 0.00 -0.04 -1.26 -4.91 135.00 124.31 1d6k n PRO 37 Ca -0.03 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.41 1d6k n PRO 37 Cb 0.23 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.66 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 -1.15 0.15 1.53 2.96 -0.03 -4.97 118.68 117.17 1d6k s LEU 38 Ca 0.00 0.33 -0.29 0.00 -0.22 0.00 0.00 54.13 53.95 1d6k s LEU 38 Cb 0.00 1.69 -0.07 0.00 0.50 0.00 0.00 46.19 48.31 1d6k s LEU 38 CO 0.00 -0.30 0.90 0.00 -1.32 0.00 0.00 176.35 175.64 1d6k s ALA 39 N 2.72 3.32 -0.07 5.97 0.00 -1.26 -0.99 121.76 131.45 1d6k s ALA 39 Ca 0.14 0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.60 1d6k s ALA 39 Cb -0.13 -3.18 0.04 0.00 0.00 0.00 0.00 23.12 19.85 1d6k s ALA 39 CO -0.23 0.10 0.13 0.96 0.00 0.00 0.00 175.76 176.72 1d6k s ILE 40 N -0.52 -0.18 -0.15 0.00 -5.25 -0.89 -0.80 121.20 113.41 1d6k s ILE 40 Ca 0.42 0.33 -0.29 0.00 -0.99 0.00 0.00 60.65 60.12 1d6k s ILE 40 Cb -0.24 -0.24 -0.02 0.00 2.95 0.00 0.00 42.46 44.91 1d6k s ILE 40 CO 0.29 0.14 1.30 -0.70 -1.79 0.00 0.00 174.94 174.18 1d6k s GLU 41 N 1.97 4.23 0.16 0.37 2.12 0.74 -2.31 118.70 125.97 1d6k s GLU 41 Ca 0.00 1.72 -0.04 0.00 0.36 0.00 0.00 54.97 57.01 1d6k s GLU 41 Cb -0.12 -3.79 -0.03 0.00 0.26 0.00 0.00 34.13 30.46 1d6k s GLU 41 CO -0.05 -0.72 0.17 -0.48 -0.54 0.00 0.00 175.26 173.64 1d6k s LEU 42 N 3.54 1.32 0.10 2.70 2.34 -1.20 -1.24 118.68 126.23 1d6k s LEU 42 Ca 0.57 -1.11 -0.30 0.00 0.06 0.00 0.00 54.13 53.34 1d6k s LEU 42 Cb -0.23 0.69 -0.06 0.00 -0.56 0.00 0.00 46.19 46.03 1d6k s LEU 42 CO 0.16 -0.83 1.15 -0.62 -1.06 0.00 0.00 176.35 175.16 1d6k s ASP 43 N -3.04 7.16 0.06 1.48 2.15 -1.26 -1.97 116.67 121.25 1d6k s ASP 43 Ca 0.24 2.02 -0.21 0.00 0.43 0.00 0.00 52.55 55.03 1d6k s ASP 43 Cb 0.06 -2.59 -0.12 0.00 -0.30 0.00 0.00 42.92 39.96 1d6k s ASP 43 CO 0.03 -0.37 1.49 -0.74 -0.17 0.00 0.00 175.17 175.41 1d6k h HIS 44 N 6.21 0.28 -0.29 -5.34 -0.00 -1.82 -2.25 115.15 111.93 1d6k h HIS 44 Ca -0.42 -0.05 -0.08 0.00 -0.00 0.00 0.00 60.37 59.82 1d6k h HIS 44 Cb 1.21 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 28.54 1d6k h HIS 44 CO 0.65 0.48 -0.14 0.22 -0.00 0.00 0.00 177.93 179.14 1d6k h ASP 45 N -0.00 0.49 0.00 3.26 3.58 -1.93 0.14 116.42 121.95 1d6k h ASP 45 Ca 0.04 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1d6k h ASP 45 Cb 0.37 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.29 1d6k h ASP 45 CO 0.01 0.66 0.00 1.17 -2.88 0.00 0.00 179.24 178.20 1d6k n LYS 46 N -4.19 0.00 0.20 0.28 4.81 -1.23 -3.30 118.16 114.73 1d6k n LYS 46 Ca 0.00 0.18 0.17 0.00 -0.87 0.00 0.00 58.31 57.80 1d6k n LYS 46 Cb 0.34 -1.13 0.82 0.00 0.02 0.00 0.00 35.03 35.07 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 0.52 -0.09 3.15 3.04 -1.17 -0.38 116.25 121.31 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 0.85 -0.04 0.00 -2.01 0.00 0.00 31.29 30.09 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 -0.32 -0.05 4.17 1.85 -0.82 0.26 114.93 120.02 1d6k h MET 48 Ca 0.09 0.02 0.01 0.00 -0.61 0.00 0.00 59.70 59.21 1d6k h MET 48 Cb 0.47 0.07 -0.00 0.00 0.43 0.00 0.00 31.60 32.57 1d6k h MET 48 CO -0.00 -0.21 0.12 -0.97 -0.40 0.00 0.00 176.91 175.45 1d6k h ASN 49 N -0.33 0.00 0.00 1.39 -1.24 -1.06 -1.62 115.58 112.72 1d6k h ASN 49 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1d6k h ASN 49 Cb 0.39 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.44 1d6k h ASN 49 CO -0.26 0.00 0.00 0.23 -1.29 0.00 0.00 177.43 176.11 1d6k n MET 50 N -3.33 0.00 0.00 6.67 2.81 -0.38 -4.06 117.12 118.82 1d6k n MET 50 Ca -0.02 0.39 0.01 0.00 -1.81 0.00 0.00 57.70 56.27 1d6k n MET 50 Cb 0.20 -0.88 0.04 0.00 -0.71 0.00 0.00 33.22 31.87 1d6k n MET 50 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1d6k n GLN 51 N -1.93 0.02 0.22 0.03 -0.00 0.76 -2.43 117.38 114.05 1d6k n GLN 51 Ca 0.00 0.35 0.15 0.00 -0.00 0.00 0.00 57.00 57.50 1d6k n GLN 51 Cb 0.00 -1.50 0.78 0.00 -0.00 0.00 0.00 30.24 29.52 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 2.08 1.00 -2.77 2.61 0.00 -1.43 -3.45 119.26 117.30 1d6k h ALA 52 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 1d6k h ALA 52 Cb 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.63 1d6k h ALA 52 CO 0.00 0.00 -0.74 -1.59 0.00 0.00 0.00 179.25 176.92 1d6k s LYS 53 N -3.71 0.88 0.33 0.00 0.00 -1.02 -5.05 119.74 111.16 1d6k s LYS 53 Ca -0.02 -1.17 0.07 0.00 0.00 0.00 0.00 55.97 54.85 1d6k s LYS 53 Cb 0.09 -0.60 0.58 0.00 0.00 0.00 0.00 37.83 37.90 1d6k s LYS 53 CO 0.32 0.10 1.79 0.00 0.00 0.00 0.00 175.35 177.56 1d6k h ALA 54 N 3.56 1.27 -0.16 0.59 0.00 -1.89 -2.74 119.26 119.89 1d6k h ALA 54 Ca -0.38 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 1d6k h ALA 54 Cb 1.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1d6k h ALA 54 CO 0.52 0.49 0.07 0.93 0.00 0.00 0.00 179.25 181.26 1d6k h GLU 55 N 0.25 0.24 -0.70 0.00 5.08 -1.97 -1.83 114.58 115.65 1d6k h GLU 55 Ca 0.04 -0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.50 1d6k h GLU 55 Cb 0.61 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.72 1d6k h GLU 55 CO 0.04 0.30 0.21 0.35 -1.00 0.00 0.00 179.01 178.91 1d6k h PHE 56 N 0.12 0.34 -0.21 4.33 3.04 -1.73 0.97 116.94 123.80 1d6k h PHE 56 Ca 0.06 0.04 -0.15 0.00 3.98 0.00 0.00 57.97 61.90 1d6k h PHE 56 Cb 0.15 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 1d6k h PHE 56 CO -0.02 -0.02 -0.48 0.10 -2.02 0.00 0.00 178.31 175.87 1d6k h TYR 57 N 0.33 0.69 0.00 0.41 -0.00 -1.45 -3.22 116.97 113.73 1d6k h TYR 57 Ca 0.39 -0.23 0.00 0.00 0.00 0.00 0.00 58.73 58.89 1d6k h TYR 57 Cb 0.61 -0.14 0.00 0.00 0.00 0.00 0.00 36.73 37.20 1d6k h TYR 57 CO -0.22 0.94 -0.40 0.45 -0.00 0.00 0.00 178.16 178.93 1d6k n SER 58 N -3.99 0.55 -3.89 0.10 2.88 -0.62 -4.17 113.62 104.48 1d6k n SER 58 Ca -0.02 0.14 -0.25 0.00 -1.33 0.00 0.00 58.87 57.41 1d6k n SER 58 Cb 0.57 -0.06 -0.17 0.00 -0.75 0.00 0.00 64.21 63.80 1d6k n SER 58 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1d6k s GLU 59 N -3.08 1.23 0.32 -1.46 0.41 0.24 -5.06 118.70 111.30 1d6k s GLU 59 Ca 0.09 -0.17 -0.26 0.00 -0.41 0.00 0.00 54.97 54.23 1d6k s GLU 59 Cb 0.15 -1.30 -0.14 0.00 -1.78 0.00 0.00 34.13 31.06 1d6k s GLU 59 CO 0.67 -0.20 0.74 1.55 -0.49 0.00 0.00 175.26 177.52 1d6k n VAL 60 N 4.69 1.93 -4.39 2.63 3.14 -1.26 -4.61 118.33 120.45 1d6k n VAL 60 Ca -0.15 -0.50 -0.24 0.00 -2.96 0.00 0.00 64.34 60.49 1d6k n VAL 60 Cb 0.50 -0.63 -0.09 0.00 -1.06 0.00 0.00 33.84 32.57 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 1.42 2.87 -0.43 6.55 1.43 0.17 -4.86 118.68 125.83 1d6k s LEU 61 Ca 0.61 -0.91 -0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1d6k s LEU 61 Cb -0.71 -1.34 0.12 0.00 0.03 0.00 0.00 46.19 44.29 1d6k s LEU 61 CO 0.58 -0.05 0.20 -0.89 0.23 0.00 0.00 176.35 176.43 1d6k s THR 62 N -2.46 3.00 -0.56 5.49 2.01 -1.26 -2.17 115.64 119.70 1d6k s THR 62 Ca 0.32 -2.41 -0.28 0.00 0.31 0.00 0.00 61.69 59.62 1d6k s THR 62 Cb -0.04 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.41 1d6k s THR 62 CO 0.18 -0.71 1.43 -0.63 -0.69 0.00 0.00 174.62 174.20 1d6k s ILE 63 N 0.73 3.77 -1.08 1.82 -1.09 0.14 -0.91 121.20 124.59 1d6k s ILE 63 Ca 0.11 0.66 -0.16 0.00 -2.23 0.00 0.00 60.65 59.04 1d6k s ILE 63 Cb -0.22 -4.41 0.16 0.00 -1.58 0.00 0.00 42.46 36.41 1d6k s ILE 63 CO -0.05 -1.15 1.28 -0.69 -1.23 0.00 0.00 174.94 173.10 1d6k s VAL 64 N 6.12 4.94 -0.77 2.92 1.01 -1.19 -0.66 120.40 132.77 1d6k s VAL 64 Ca 0.53 -2.20 -0.26 0.00 0.00 0.00 0.00 61.98 60.05 1d6k s VAL 64 Cb -0.11 -4.84 0.01 0.00 0.00 0.00 0.00 36.38 31.45 1d6k s VAL 64 CO 0.25 -1.55 1.50 0.68 0.00 0.00 0.00 175.10 175.99 1d6k s VAL 65 N 1.94 3.65 -1.72 2.92 -7.23 0.52 -1.64 120.40 118.83 1d6k s VAL 65 Ca 0.37 0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.63 1d6k s VAL 65 Cb -0.04 -4.64 0.00 0.00 0.56 0.00 0.00 36.38 32.26 1d6k s VAL 65 CO -0.04 -1.57 0.00 -0.67 -0.31 0.00 0.00 175.10 172.50 1d6k n ASP 66 N 10.48 -5.11 0.00 4.85 2.03 -0.59 -1.39 116.55 126.82 1d6k n ASP 66 Ca 0.15 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.68 1d6k n ASP 66 Cb 0.50 -4.39 0.00 0.00 -0.72 0.00 0.00 41.12 36.51 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 -0.71 0.62 3.59 0.27 0.00 -1.25 -5.09 105.19 102.62 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 -0.65 3.92 -0.42 1.61 1.02 -0.48 -5.02 119.74 119.71 1d6k s LYS 68 Ca 0.00 -0.36 -0.15 0.00 0.02 0.00 0.00 55.97 55.48 1d6k s LYS 68 Cb 0.00 -3.33 0.03 0.00 -0.52 0.00 0.00 37.83 34.01 1d6k s LYS 68 CO 0.00 0.10 0.31 -1.21 -0.92 0.00 0.00 175.35 173.63 1d6k s GLU 69 N 0.87 2.96 -0.15 1.68 2.02 -1.26 -0.36 118.70 124.47 1d6k s GLU 69 Ca 0.05 -1.09 -0.01 0.00 0.02 0.00 0.00 54.97 53.93 1d6k s GLU 69 Cb -0.13 -4.00 -0.02 0.00 0.10 0.00 0.00 34.13 30.08 1d6k s GLU 69 CO 0.03 -0.80 -0.10 0.42 0.02 0.00 0.00 175.26 174.82 1d6k s ILE 70 N 1.67 3.24 -0.07 -1.63 1.09 0.17 -4.90 121.20 120.76 1d6k s ILE 70 Ca 0.05 -0.58 -0.24 0.00 -1.10 0.00 0.00 60.65 58.77 1d6k s ILE 70 Cb -0.20 -2.39 -0.04 0.00 -1.06 0.00 0.00 42.46 38.77 1d6k s ILE 70 CO 0.09 0.50 0.72 -0.54 -0.10 0.00 0.00 174.94 175.61 1d6k s LYS 71 N 0.56 4.43 0.13 2.79 -0.14 -1.26 0.26 119.74 126.53 1d6k s LYS 71 Ca -0.07 0.91 -0.15 0.00 -1.36 0.00 0.00 55.97 55.30 1d6k s LYS 71 Cb -0.15 -3.46 0.03 0.00 -1.68 0.00 0.00 37.83 32.57 1d6k s LYS 71 CO 0.03 0.04 0.39 0.14 -0.76 0.00 0.00 175.35 175.19 1d6k s VAL 72 N 0.89 0.07 -0.04 3.17 -7.23 -0.92 -1.67 120.40 114.66 1d6k s VAL 72 Ca 0.38 -0.70 0.03 0.00 -1.81 0.00 0.00 61.98 59.89 1d6k s VAL 72 Cb -0.18 -1.27 0.00 0.00 0.56 0.00 0.00 36.38 35.49 1d6k s VAL 72 CO 0.18 -0.31 -0.13 -0.54 -0.31 0.00 0.00 175.10 173.99 1d6k s LYS 73 N -3.83 1.42 0.24 4.82 3.01 -0.45 -0.65 119.74 124.30 1d6k s LYS 73 Ca 0.05 -0.44 -0.31 0.00 -1.01 0.00 0.00 55.97 54.26 1d6k s LYS 73 Cb 0.02 -1.25 -0.12 0.00 -1.01 0.00 0.00 37.83 35.47 1d6k s LYS 73 CO -0.10 0.14 1.61 0.00 0.51 0.00 0.00 175.35 177.51 1d6k n ALA 74 N 3.35 2.34 0.00 5.17 0.00 -1.26 -0.50 120.51 129.61 1d6k n ALA 74 Ca -0.19 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1d6k n ALA 74 Cb 0.53 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 2.86 2.49 -3.15 0.00 -0.06 -1.07 -4.82 117.38 113.64 1d6k n GLN 75 Ca 0.12 0.00 0.04 0.00 -2.00 0.00 0.00 57.00 55.16 1d6k n GLN 75 Cb 0.35 -0.78 -0.00 0.00 -4.06 0.00 0.00 30.24 25.75 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 -1.51 -1.47 -0.06 1.69 2.15 -1.25 -5.06 116.67 111.15 1d6k s ASP 76 Ca 0.00 0.38 -0.18 0.00 0.43 0.00 0.00 52.55 53.19 1d6k s ASP 76 Cb 0.00 2.02 -0.05 0.00 -0.30 0.00 0.00 42.92 44.59 1d6k s ASP 76 CO 0.00 -0.27 0.47 0.68 -0.17 0.00 0.00 175.17 175.88 1d6k s VAL 77 N 2.85 5.09 -0.43 1.11 -7.23 -1.26 -1.88 120.40 118.64 1d6k s VAL 77 Ca 0.14 0.96 -0.08 0.00 -1.81 0.00 0.00 61.98 61.19 1d6k s VAL 77 Cb -0.11 -3.80 0.09 0.00 0.56 0.00 0.00 36.38 33.12 1d6k s VAL 77 CO -0.24 0.42 0.28 -1.10 -0.31 0.00 0.00 175.10 174.15 1d6k s GLN 78 N -0.03 2.50 0.85 4.82 -0.21 0.15 -5.00 119.66 122.74 1d6k s GLN 78 Ca 0.26 -1.59 -0.11 0.00 0.02 0.00 0.00 55.36 53.93 1d6k s GLN 78 Cb -0.16 -3.80 0.10 0.00 1.00 0.00 0.00 33.01 30.15 1d6k s GLN 78 CO 0.12 -1.04 1.10 1.03 -2.12 0.00 0.00 175.29 174.38 1d6k s ARG 79 N 1.37 1.61 0.75 2.91 1.81 -1.26 -0.62 118.95 125.53 1d6k s ARG 79 Ca 0.04 1.07 -0.12 0.00 -1.72 0.00 0.00 55.73 55.00 1d6k s ARG 79 Cb -0.24 -1.83 0.05 0.00 -0.45 0.00 0.00 34.95 32.48 1d6k s ARG 79 CO 0.00 -2.07 1.10 -1.01 -0.68 0.00 0.00 175.30 172.65 1d6k s HIS 80 N -2.87 2.51 -0.18 -0.53 3.76 -0.03 -4.24 115.29 113.71 1d6k s HIS 80 Ca 0.63 1.57 0.16 0.00 -0.15 0.00 0.00 55.06 57.27 1d6k s HIS 80 Cb -0.18 -3.11 0.06 0.00 1.11 0.00 0.00 32.58 30.46 1d6k s HIS 80 CO 0.57 -1.86 1.36 -1.00 -0.85 0.00 0.00 174.74 172.96 1d6k h PRO 81 N -0.89 0.00 0.00 8.40 0.13 -1.96 -3.39 132.00 134.29 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 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1d6k h PRO 81 CO 0.51 0.42 -0.06 0.98 -0.23 0.00 0.00 178.00 179.62 1d6k n TYR 82 N -3.15 0.00 -4.32 1.56 9.36 -1.26 -5.11 117.16 114.24 1d6k n TYR 82 Ca 0.01 0.00 -0.20 0.00 3.32 0.00 0.00 57.90 61.03 1d6k n TYR 82 Cb 0.73 0.07 -0.11 0.00 -0.63 0.00 0.00 39.34 39.40 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 0.00 1.25 -1.50 2.98 3.01 -1.26 -5.04 119.74 119.18 1d6k s LYS 83 Ca 0.00 -1.45 -0.10 0.00 -1.01 0.00 0.00 55.97 53.41 1d6k s LYS 83 Cb 0.00 -1.17 -0.07 0.00 -1.01 0.00 0.00 37.83 35.59 1d6k s LYS 83 CO 0.00 0.22 2.72 -0.35 0.51 0.00 0.00 175.35 178.45 1d6k n PRO 84 N 0.07 3.32 -2.74 -1.68 -0.04 -1.26 -4.14 135.00 128.52 1d6k n PRO 84 Ca -0.11 -2.17 -0.07 0.00 -0.04 0.00 0.00 63.50 61.10 1d6k n PRO 84 Cb 0.58 -2.85 -0.02 0.00 -0.04 0.00 0.00 33.50 31.17 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 4.17 0.59 -4.28 0.54 4.76 -1.26 -5.00 118.16 117.67 1d6k n LYS 85 Ca 0.70 -1.08 -0.23 0.00 -2.87 0.00 0.00 58.31 54.82 1d6k n LYS 85 Cb 0.25 0.69 -0.17 0.00 -1.84 0.00 0.00 35.03 33.96 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 1.41 0.08 -0.35 1.43 -1.26 -0.85 118.68 119.13 1d6k s LEU 86 Ca 0.09 -0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 52.81 1d6k s LEU 86 Cb 0.00 -0.69 -0.18 0.00 0.03 0.00 0.00 46.19 45.35 1d6k s LEU 86 CO 0.06 -0.03 1.25 1.56 0.23 0.00 0.00 176.35 179.42 1d6k h GLN 87 N 7.33 0.70 0.00 1.70 1.08 -1.04 -3.44 115.11 121.43 1d6k h GLN 87 Ca -0.32 -0.61 0.00 0.00 -1.45 0.00 0.00 58.65 56.27 1d6k h GLN 87 Cb 1.16 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 1d6k h GLN 87 CO 0.45 1.22 0.00 1.58 -0.95 0.00 0.00 178.83 181.12 1d6k n HIS 88 N -4.01 0.00 -3.83 2.96 -0.00 -1.18 -4.78 115.22 104.37 1d6k n HIS 88 Ca -0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.52 1d6k n HIS 88 Cb 0.73 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.61 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 0.04 0.10 3.57 1.01 -1.25 -0.68 121.20 121.99 1d6k s ILE 89 Ca 0.00 -0.33 0.09 0.00 0.00 0.00 0.00 60.65 60.41 1d6k s ILE 89 Cb 0.00 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 42.06 1d6k s ILE 89 CO 0.00 -0.18 -0.24 1.51 0.00 0.00 0.00 174.94 176.03 1d6k s ASP 90 N -0.64 2.91 0.25 3.58 1.47 -0.79 -2.48 116.67 120.97 1d6k s ASP 90 Ca -0.07 -0.68 0.12 0.00 1.18 0.00 0.00 52.55 53.09 1d6k s ASP 90 Cb -0.04 -0.20 -0.05 0.00 -0.34 0.00 0.00 42.92 42.29 1d6k s ASP 90 CO 0.01 0.14 -0.21 -0.36 0.68 0.00 0.00 175.17 175.44 1d6k s PHE 91 N -1.04 2.26 0.02 2.11 0.08 -0.33 -2.58 117.98 118.49 1d6k s PHE 91 Ca 0.10 -0.35 0.09 0.00 0.12 0.00 0.00 56.93 56.89 1d6k s PHE 91 Cb -0.10 -1.02 -0.03 0.00 -0.57 0.00 0.00 43.02 41.31 1d6k s PHE 91 CO 0.04 0.64 -0.26 0.14 -0.10 0.00 0.00 175.22 175.68 1d6k s VAL 92 N -2.31 2.08 -0.79 -0.44 -7.23 0.35 -1.42 120.40 110.63 1d6k s VAL 92 Ca 0.27 -1.27 -0.23 0.00 -1.81 0.00 0.00 61.98 58.94 1d6k s VAL 92 Cb -0.06 -1.76 -0.18 0.00 0.56 0.00 0.00 36.38 34.95 1d6k s VAL 92 CO 0.13 0.44 2.40 0.54 -0.31 0.00 0.00 175.10 178.30 1d6k n ARG 93 N 2.03 0.47 0.00 4.82 5.12 -0.71 -1.35 116.66 127.04 1d6k n ARG 93 Ca -0.17 -0.33 0.09 0.00 -1.93 0.00 0.00 57.85 55.51 1d6k n ARG 93 Cb 0.52 -2.72 0.51 0.00 -1.16 0.00 0.00 32.46 29.61 1d6k n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70