#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 -2.05 1.12 3.72 -1.26 -4.00 117.46 114.99 1d6k n PHE 2 Ca 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1d6k n PHE 2 Cb 0.00 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 0.00-10.86 -3.54 4.37 -1.04 -1.26 -4.96 114.28 96.99 1d6k n THR 3 Ca 0.00 2.45 -0.39 0.00 -2.04 0.00 0.00 64.05 64.06 1d6k n THR 3 Cb 0.00 -5.42 -0.04 0.00 -1.82 0.00 0.00 70.33 63.05 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 -0.46 4.88 -0.03 12.58 -1.09 0.52 -4.89 121.20 132.71 1d6k s ILE 4 Ca -0.00 -3.60 -0.29 0.00 -2.23 0.00 0.00 60.65 54.52 1d6k s ILE 4 Cb 0.00 -4.00 -0.08 0.00 -1.58 0.00 0.00 42.46 36.80 1d6k s ILE 4 CO 0.01 -1.10 2.04 0.20 -1.23 0.00 0.00 174.94 174.86 1d6k s ASN 5 N 0.48 6.19 0.00 3.58 -0.87 -1.26 -3.18 114.94 119.88 1d6k s ASN 5 Ca 0.27 2.47 0.00 0.00 -1.57 0.00 0.00 52.86 54.03 1d6k s ASN 5 Cb -0.09 -2.52 0.00 0.00 -0.02 0.00 0.00 41.25 38.61 1d6k s ASN 5 CO -0.10 -1.29 0.00 0.00 -2.57 0.00 0.00 177.10 173.13 1d6k n ALA 6 N 8.63 0.00 -3.52 0.60 0.00 -0.98 -4.45 120.51 120.80 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 0.42 0.00 -0.08 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 0.72 0.41 0.00 -1.05 -0.67 -1.98 118.70 116.72 1d6k s GLU 7 Ca 0.00 0.85 -0.26 0.00 -0.15 0.00 0.00 54.97 55.41 1d6k s GLU 7 Cb 0.00 0.35 -0.09 0.00 -0.44 0.00 0.00 34.13 33.95 1d6k s GLU 7 CO 0.00 -0.09 1.39 0.14 0.95 0.00 0.00 175.26 177.66 1d6k s VAL 8 N 0.32 2.27 0.08 1.83 -7.23 -1.26 -0.35 120.40 116.06 1d6k s VAL 8 Ca -0.00 0.25 0.02 0.00 -1.81 0.00 0.00 61.98 60.44 1d6k s VAL 8 Cb -0.04 -3.15 -0.04 0.00 0.56 0.00 0.00 36.38 33.71 1d6k s VAL 8 CO 0.01 0.04 -0.07 0.00 -0.31 0.00 0.00 175.10 174.78 1d6k s ARG 9 N -2.27 0.75 0.00 4.82 1.70 -0.23 -4.77 118.95 118.95 1d6k s ARG 9 Ca 0.57 -1.19 0.00 0.00 -0.47 0.00 0.00 55.73 54.64 1d6k s ARG 9 Cb -0.42 -0.19 0.00 0.00 -0.57 0.00 0.00 34.95 33.77 1d6k s ARG 9 CO 0.55 -0.01 0.12 1.63 -1.08 0.00 0.00 175.30 176.51 1d6k n LYS 10 N 0.32 -0.18 0.00 3.89 4.76 -1.26 -4.22 118.16 121.46 1d6k n LYS 10 Ca -0.15 -0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.17 1d6k n LYS 10 Cb 0.59 -0.61 0.00 0.00 -1.84 0.00 0.00 35.03 33.18 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 0.76 -0.33 1.97 -0.58 -1.26 -4.49 120.64 116.70 1d6k n GLU 11 Ca 0.00 0.00 0.28 0.00 -0.42 0.00 0.00 57.16 57.02 1d6k n GLU 11 Cb 0.18 -1.15 0.61 0.00 -0.57 0.00 0.00 31.44 30.51 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 0.10 0.22 -0.90 3.49 -0.00 -1.95 -0.10 115.11 115.96 1d6k h GLN 12 Ca 0.00 -0.01 0.26 0.00 -0.00 0.00 0.00 58.65 58.90 1d6k h GLN 12 Cb 0.15 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.48 27.55 1d6k h GLN 12 CO 0.00 0.15 1.07 0.78 -0.00 0.00 0.00 178.83 180.83 1d6k h GLY 13 N 0.23 0.00 0.00 0.06 0.00 -2.02 -3.41 103.07 97.93 1d6k h GLY 13 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.92 1d6k h GLY 13 CO -0.20 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.62 1d6k n LYS 14 N -3.31 0.00 -0.34 4.80 4.76 -1.21 -5.02 118.16 117.83 1d6k n LYS 14 Ca 0.20 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.72 1d6k n LYS 14 Cb 1.36 0.00 0.26 0.00 -1.84 0.00 0.00 35.03 34.81 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 1.56 0.62 0.72 0.00 -1.74 -2.06 103.07 102.17 1d6k h GLY 15 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1d6k h GLY 15 CO 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 176.54 176.62 1d6k h ALA 16 N 1.55 -0.19 -0.12 3.60 0.00 -1.27 -2.96 119.26 119.87 1d6k h ALA 16 Ca 0.49 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.24 1d6k h ALA 16 Cb 0.52 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1d6k h ALA 16 CO -0.25 -0.41 0.11 1.03 0.00 0.00 0.00 179.25 179.72 1d6k h SER 17 N -0.57 0.00 0.89 0.00 0.87 -1.62 -0.50 113.55 112.61 1d6k h SER 17 Ca -0.02 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.38 1d6k h SER 17 Cb 0.44 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 1d6k h SER 17 CO 0.03 0.00 -1.20 0.08 -0.53 0.00 0.00 176.83 175.22 1d6k h ARG 18 N 0.00 0.00 0.23 2.24 -0.00 -1.52 -2.33 114.38 112.99 1d6k h ARG 18 Ca 0.06 0.00 -0.32 0.00 -0.00 0.00 0.00 59.98 59.71 1d6k h ARG 18 Cb 0.27 0.00 0.03 0.00 -0.00 0.00 0.00 29.97 30.27 1d6k h ARG 18 CO -0.00 0.40 -1.43 0.07 -0.00 0.00 0.00 179.97 179.01 1d6k h ARG 19 N 0.00 0.49 0.37 0.08 0.11 -1.13 -1.50 114.38 112.80 1d6k h ARG 19 Ca -0.13 -0.83 -0.02 0.00 0.10 0.00 0.00 59.98 59.11 1d6k h ARG 19 Cb 1.58 0.31 0.00 0.00 1.11 0.00 0.00 29.97 32.98 1d6k h ARG 19 CO 0.06 1.40 -0.18 -0.07 0.10 0.00 0.00 179.97 181.28 1d6k h LEU 20 N 0.13 -0.42 -1.33 0.08 4.07 -1.24 -2.02 115.31 114.57 1d6k h LEU 20 Ca -0.23 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.67 1d6k h LEU 20 Cb 2.13 0.11 0.00 0.00 1.08 0.00 0.00 40.66 43.98 1d6k h LEU 20 CO 0.26 -0.21 0.00 0.08 -1.08 0.00 0.00 178.44 177.50 1d6k h ARG 21 N -0.62 0.00 0.00 1.13 -0.00 -1.45 -1.24 114.38 112.20 1d6k h ARG 21 Ca -0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.89 1d6k h ARG 21 Cb 0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.42 1d6k h ARG 21 CO 0.08 0.00 -0.20 0.00 -0.00 0.00 0.00 179.97 179.85 1d6k h ALA 22 N 2.10 1.03 -3.00 0.08 0.00 -0.53 -3.41 119.26 115.54 1d6k h ALA 22 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1d6k h ALA 22 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1d6k h ALA 22 CO 0.00 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.51 1d6k n ALA 23 N -2.22 0.51 -1.20 0.00 0.00 -1.04 -5.05 120.51 111.51 1d6k n ALA 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1d6k n ALA 23 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1d6k n ALA 23 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1d6k n ASN 24 N -0.56 0.00 -5.02 0.00 2.85 -1.07 -5.11 115.26 106.35 1d6k n ASN 24 Ca 0.00 -0.60 -0.19 0.00 -0.11 0.00 0.00 54.58 53.68 1d6k n ASN 24 Cb 0.00 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.06 1d6k n ASN 24 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1d6k s LYS 25 N 0.00 2.53 0.02 1.20 1.02 -0.50 -3.10 119.74 120.92 1d6k s LYS 25 Ca 0.00 -1.47 -0.26 0.00 0.02 0.00 0.00 55.97 54.26 1d6k s LYS 25 Cb 0.00 -2.69 0.06 0.00 -0.52 0.00 0.00 37.83 34.68 1d6k s LYS 25 CO 0.00 -0.60 0.60 -0.59 -0.92 0.00 0.00 175.35 173.83 1d6k s PHE 26 N -2.53 -0.54 0.63 3.18 -0.71 -0.82 -3.51 117.98 113.68 1d6k s PHE 26 Ca 0.59 0.73 -0.14 0.00 -1.04 0.00 0.00 56.93 57.07 1d6k s PHE 26 Cb -0.08 0.40 -0.02 0.00 -1.21 0.00 0.00 43.02 42.11 1d6k s PHE 26 CO 0.36 -0.65 1.06 -1.25 -1.34 0.00 0.00 175.22 173.40 1d6k s PRO 27 N -2.06 3.15 0.32 1.99 0.04 -1.26 -3.28 135.00 133.90 1d6k s PRO 27 Ca -0.07 1.15 0.06 0.00 0.04 0.00 0.00 61.00 62.18 1d6k s PRO 27 Cb -0.01 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1d6k s PRO 27 CO 0.02 -0.94 0.25 0.00 0.04 0.00 0.00 177.00 176.37 1d6k s ALA 28 N -2.62 1.89 0.07 8.56 0.00 -0.74 -3.91 121.76 125.01 1d6k s ALA 28 Ca 0.62 -1.95 0.02 0.00 0.00 0.00 0.00 51.96 50.65 1d6k s ALA 28 Cb -0.16 1.40 -0.03 0.00 0.00 0.00 0.00 23.12 24.33 1d6k s ALA 28 CO 0.42 -0.62 -0.07 -1.50 0.00 0.00 0.00 175.76 173.98 1d6k s ILE 29 N -3.50 0.63 -0.36 0.00 1.10 -0.76 -2.47 121.20 115.84 1d6k s ILE 29 Ca 0.39 -1.48 0.02 0.00 -0.51 0.00 0.00 60.65 59.07 1d6k s ILE 29 Cb 0.03 -1.12 0.11 0.00 0.15 0.00 0.00 42.46 41.63 1d6k s ILE 29 CO 0.25 -0.60 0.11 -0.63 -2.11 0.00 0.00 174.94 171.96 1d6k s ILE 30 N -2.40 1.62 0.19 2.00 1.01 -0.56 -1.68 121.20 121.38 1d6k s ILE 30 Ca 0.00 -2.08 0.01 0.00 0.00 0.00 0.00 60.65 58.58 1d6k s ILE 30 Cb -0.03 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.26 1d6k s ILE 30 CO -0.02 -0.69 0.09 0.00 0.00 0.00 0.00 174.94 174.32 1d6k n TYR 31 N 4.29 -0.64 -2.13 3.97 0.18 -0.00 -0.73 117.16 122.10 1d6k n TYR 31 Ca 0.02 -0.83 -0.02 0.00 1.88 0.00 0.00 57.90 58.95 1d6k n TYR 31 Cb 0.40 -0.14 0.00 0.00 -0.38 0.00 0.00 39.34 39.22 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 2.76 0.39 0.00 -7.48 0.00 -1.26 -0.92 105.19 98.68 1d6k n GLY 32 Ca -0.03 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 1.35 0.00 -0.02 0.00 -1.26 -4.28 105.19 100.05 1d6k n GLY 33 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.60 1.61 3.00 -1.26 -4.97 118.16 114.94 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 0.09 0.00 0.00 0.00 0.00 35.03 35.12 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 2.32 -0.34 1.64 1.02 -1.26 -5.10 120.64 118.92 1d6k n GLU 35 Ca 0.00 -3.57 0.04 0.00 -0.02 0.00 0.00 57.16 53.61 1d6k n GLU 35 Cb 0.00 -1.74 -0.02 0.00 -0.02 0.00 0.00 31.44 29.66 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 -0.71 -0.89 -2.36 0.62 0.00 -1.26 -5.07 120.51 110.84 1d6k n ALA 36 Ca 0.27 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1d6k n ALA 36 Cb 0.87 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.82 1.15 -3.30 0.00 -0.04 -1.26 -4.66 135.00 124.08 1d6k n PRO 37 Ca -0.01 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.36 1d6k n PRO 37 Cb 0.16 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.56 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 -0.83 0.17 1.53 2.96 0.09 -4.96 118.68 117.64 1d6k s LEU 38 Ca 0.00 -0.37 -0.30 0.00 -0.22 0.00 0.00 54.13 53.23 1d6k s LEU 38 Cb 0.00 1.15 -0.08 0.00 0.50 0.00 0.00 46.19 47.76 1d6k s LEU 38 CO 0.00 -0.35 1.29 0.00 -1.32 0.00 0.00 176.35 175.97 1d6k s ALA 39 N 2.54 3.50 -0.01 5.97 0.00 -1.26 -1.49 121.76 131.01 1d6k s ALA 39 Ca 0.10 1.05 0.03 0.00 0.00 0.00 0.00 51.96 53.13 1d6k s ALA 39 Cb -0.12 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.52 1d6k s ALA 39 CO -0.30 -0.50 -0.10 0.96 0.00 0.00 0.00 175.76 175.82 1d6k s ILE 40 N 0.34 0.79 -0.29 0.00 -0.00 -1.03 -1.07 121.20 119.94 1d6k s ILE 40 Ca 0.57 -0.41 -0.23 0.00 -0.00 0.00 0.00 60.65 60.58 1d6k s ILE 40 Cb -0.35 -0.67 -0.00 0.00 -0.00 0.00 0.00 42.46 41.44 1d6k s ILE 40 CO 0.36 0.23 0.79 -0.70 -0.00 0.00 0.00 174.94 175.61 1d6k s GLU 41 N -0.12 4.02 0.22 0.37 2.12 0.52 -1.79 118.70 124.04 1d6k s GLU 41 Ca 0.02 0.66 0.01 0.00 0.36 0.00 0.00 54.97 56.02 1d6k s GLU 41 Cb -0.05 -3.71 -0.05 0.00 0.26 0.00 0.00 34.13 30.59 1d6k s GLU 41 CO -0.00 -0.63 0.08 -0.48 -0.54 0.00 0.00 175.26 173.68 1d6k s LEU 42 N 2.91 1.69 0.10 2.70 2.34 -1.21 -1.67 118.68 125.56 1d6k s LEU 42 Ca 0.33 -1.32 -0.30 0.00 0.06 0.00 0.00 54.13 52.89 1d6k s LEU 42 Cb -0.14 0.06 -0.06 0.00 -0.56 0.00 0.00 46.19 45.49 1d6k s LEU 42 CO 0.11 -0.70 1.06 -0.62 -1.06 0.00 0.00 176.35 175.14 1d6k s ASP 43 N -3.25 7.31 0.02 1.48 2.15 -1.26 -1.95 116.67 121.18 1d6k s ASP 43 Ca 0.34 1.92 -0.26 0.00 0.43 0.00 0.00 52.55 54.98 1d6k s ASP 43 Cb 0.07 -2.59 -0.17 0.00 -0.30 0.00 0.00 42.92 39.93 1d6k s ASP 43 CO 0.10 -0.23 1.33 -0.74 -0.17 0.00 0.00 175.17 175.46 1d6k h HIS 44 N 5.88 -0.33 0.00 -5.34 -0.00 -1.84 -2.32 115.15 111.20 1d6k h HIS 44 Ca -0.43 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 59.88 1d6k h HIS 44 Cb 1.21 0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 28.73 1d6k h HIS 44 CO 0.65 -0.03 -0.28 0.22 -0.00 0.00 0.00 177.93 178.50 1d6k h ASP 45 N -0.65 0.00 0.00 3.26 3.58 -1.94 0.19 116.42 120.86 1d6k h ASP 45 Ca -0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1d6k h ASP 45 Cb 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1d6k h ASP 45 CO 0.06 0.28 0.00 1.17 -2.88 0.00 0.00 179.24 177.87 1d6k n LYS 46 N -3.68 0.00 0.21 0.28 4.81 -1.24 -3.27 118.16 115.27 1d6k n LYS 46 Ca -0.01 0.23 0.17 0.00 -0.87 0.00 0.00 58.31 57.82 1d6k n LYS 46 Cb 0.39 -1.19 0.83 0.00 0.02 0.00 0.00 35.03 35.08 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 0.51 -0.03 3.15 3.04 -0.83 0.32 116.25 122.40 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 0.86 -0.04 0.00 -2.01 0.00 0.00 31.29 30.11 1d6k h VAL 47 CO 0.00 0.00 -0.33 -0.03 -1.01 0.00 0.00 177.57 176.20 1d6k h MET 48 N 0.00 -0.38 -0.02 4.17 1.85 -0.74 0.11 114.93 119.91 1d6k h MET 48 Ca 0.08 0.03 0.01 0.00 -0.61 0.00 0.00 59.70 59.20 1d6k h MET 48 Cb 0.42 0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.54 1d6k h MET 48 CO -0.00 -0.25 0.17 -0.97 -0.40 0.00 0.00 176.91 175.46 1d6k h ASN 49 N -0.40 0.00 0.00 1.39 -1.24 -0.92 -2.16 115.58 112.26 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 0.44 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.49 1d6k h ASN 49 CO -0.24 0.00 -0.05 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 -0.94 -3.34 114.93 120.17 1d6k h MET 50 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1d6k h MET 50 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1d6k h MET 50 CO -0.00 0.00 0.10 0.00 1.06 0.00 0.00 176.91 178.07 1d6k n GLN 51 N -2.64 0.10 0.00 1.72 -0.00 0.24 -1.99 117.38 114.81 1d6k n GLN 51 Ca -0.01 0.58 0.08 0.00 -0.00 0.00 0.00 57.00 57.65 1d6k n GLN 51 Cb 0.02 -1.93 0.37 0.00 -0.00 0.00 0.00 30.24 28.70 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 -1.66 1.80 -0.20 2.61 0.00 -0.81 -3.95 120.51 118.30 1d6k n ALA 52 Ca -0.01 -0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.40 1d6k n ALA 52 Cb 0.12 -1.26 0.08 0.00 0.00 0.00 0.00 19.45 18.39 1d6k n ALA 52 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1d6k n LYS 53 N -1.42 2.83 0.00 0.00 0.00 -0.84 -5.01 118.16 113.72 1d6k n LYS 53 Ca 0.05 -1.86 0.00 0.00 -0.00 0.00 0.00 58.31 56.50 1d6k n LYS 53 Cb 0.17 -1.19 0.00 0.00 -0.00 0.00 0.00 35.03 34.01 1d6k n LYS 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1d6k n ALA 54 N -0.18 0.00 0.15 0.58 0.00 -1.25 -4.51 120.51 115.29 1d6k n ALA 54 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.57 1d6k n ALA 54 Cb 0.38 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.17 1d6k n ALA 54 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1d6k n GLU 55 N 0.00 0.08 0.03 0.00 1.02 -1.26 -1.75 120.64 118.76 1d6k n GLU 55 Ca 0.00 0.55 -0.13 0.00 -0.02 0.00 0.00 57.16 57.56 1d6k n GLU 55 Cb 0.00 -2.04 -0.09 0.00 -0.02 0.00 0.00 31.44 29.29 1d6k n GLU 55 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1d6k h PHE 56 N 0.00 -0.10 0.00 -0.32 3.04 -1.77 0.03 116.94 117.82 1d6k h PHE 56 Ca 0.00 -0.00 -0.18 0.00 3.98 0.00 0.00 57.97 61.77 1d6k h PHE 56 Cb 0.53 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 39.05 1d6k h PHE 56 CO 0.00 0.35 -0.85 0.10 -2.02 0.00 0.00 178.31 175.89 1d6k h TYR 57 N -0.61 0.00 0.22 0.41 -0.00 -1.68 -3.30 116.97 112.01 1d6k h TYR 57 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 58.73 58.43 1d6k h TYR 57 Cb 0.50 0.00 0.03 0.00 0.00 0.00 0.00 36.73 37.27 1d6k h TYR 57 CO 0.08 0.85 -1.26 1.03 -0.00 0.00 0.00 178.16 178.87 1d6k h SER 58 N 0.00 0.72 -3.52 0.10 0.87 -1.48 -3.38 113.55 106.87 1d6k h SER 58 Ca -0.01 -0.93 -0.66 0.00 -1.23 0.00 0.00 61.79 58.95 1d6k h SER 58 Cb 1.58 -0.24 -0.36 0.00 -0.44 0.00 0.00 62.40 62.94 1d6k h SER 58 CO 0.11 1.61 -0.82 -1.61 -0.53 0.00 0.00 176.83 175.58 1d6k s GLU 59 N -2.54 2.51 0.31 2.24 2.02 -0.00 -5.05 118.70 118.19 1d6k s GLU 59 Ca -0.11 -1.10 -0.25 0.00 0.02 0.00 0.00 54.97 53.53 1d6k s GLU 59 Cb 0.03 -2.72 -0.16 0.00 0.10 0.00 0.00 34.13 31.38 1d6k s GLU 59 CO 0.91 -0.42 0.43 1.55 0.02 0.00 0.00 175.26 177.75 1d6k n VAL 60 N 4.53 1.54 -4.19 2.63 3.14 -1.26 -2.73 118.33 121.98 1d6k n VAL 60 Ca -0.17 -0.50 -0.22 0.00 -2.96 0.00 0.00 64.34 60.49 1d6k n VAL 60 Cb 0.46 -0.19 -0.06 0.00 -1.06 0.00 0.00 33.84 32.99 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 2.97 3.46 -0.32 6.55 1.43 0.50 -1.93 118.68 131.35 1d6k s LEU 61 Ca 0.62 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 1d6k s LEU 61 Cb -0.76 -1.99 0.07 0.00 0.03 0.00 0.00 46.19 43.54 1d6k s LEU 61 CO 0.59 -0.05 0.02 -0.89 0.23 0.00 0.00 176.35 176.25 1d6k s THR 62 N -2.26 2.73 -0.51 5.49 2.01 -1.26 -1.83 115.64 120.01 1d6k s THR 62 Ca 0.33 -1.74 -0.22 0.00 0.31 0.00 0.00 61.69 60.37 1d6k s THR 62 Cb -0.07 -2.71 0.04 0.00 0.01 0.00 0.00 72.50 69.77 1d6k s THR 62 CO 0.22 -0.29 0.78 -0.63 -0.69 0.00 0.00 174.62 174.02 1d6k s ILE 63 N 1.13 4.64 -1.17 1.82 -1.09 0.80 -0.35 121.20 126.97 1d6k s ILE 63 Ca -0.01 -0.01 -0.11 0.00 -2.23 0.00 0.00 60.65 58.29 1d6k s ILE 63 Cb -0.20 -4.40 0.22 0.00 -1.58 0.00 0.00 42.46 36.50 1d6k s ILE 63 CO -0.04 -0.91 1.31 0.52 -1.23 0.00 0.00 174.94 174.58 1d6k n VAL 64 N 5.94 4.41 -2.14 2.92 0.31 -1.19 -0.58 118.33 128.00 1d6k n VAL 64 Ca -0.02 -5.03 -0.35 0.00 -0.01 0.00 0.00 64.34 58.94 1d6k n VAL 64 Cb 0.47 -2.52 -0.04 0.00 -0.91 0.00 0.00 33.84 30.85 1d6k n VAL 64 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1d6k s VAL 65 N 0.24 3.47 -1.54 2.52 -7.23 0.43 -2.31 120.40 115.99 1d6k s VAL 65 Ca 0.37 -0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.49 1d6k s VAL 65 Cb -0.06 -4.16 0.00 0.00 0.56 0.00 0.00 36.38 32.72 1d6k s VAL 65 CO -0.03 -1.11 0.00 -0.67 -0.31 0.00 0.00 175.10 172.97 1d6k n ASP 66 N 12.49 -4.72 0.00 4.85 2.03 -0.84 -1.51 116.55 128.85 1d6k n ASP 66 Ca 0.26 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.77 1d6k n ASP 66 Cb 0.50 -4.06 0.00 0.00 -0.72 0.00 0.00 41.12 36.84 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 0.76 3.61 0.27 0.00 -1.24 -5.09 105.19 102.81 1d6k n GLY 67 Ca -0.19 0.00 -0.39 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 -0.49 4.03 -0.43 1.61 1.02 -0.57 -5.01 119.74 119.90 1d6k s LYS 68 Ca 0.00 -0.03 -0.17 0.00 0.02 0.00 0.00 55.97 55.78 1d6k s LYS 68 Cb 0.00 -3.63 0.03 0.00 -0.52 0.00 0.00 37.83 33.71 1d6k s LYS 68 CO 0.00 -0.20 0.46 -1.21 -0.92 0.00 0.00 175.35 173.47 1d6k s GLU 69 N 1.83 3.09 -0.14 1.68 2.02 -1.26 -0.42 118.70 125.50 1d6k s GLU 69 Ca 0.13 -0.82 -0.01 0.00 0.02 0.00 0.00 54.97 54.30 1d6k s GLU 69 Cb -0.15 -3.99 -0.02 0.00 0.10 0.00 0.00 34.13 30.06 1d6k s GLU 69 CO 0.09 -0.91 -0.10 0.42 0.02 0.00 0.00 175.26 174.78 1d6k s ILE 70 N 2.16 3.23 -0.18 -1.63 1.09 0.25 -4.84 121.20 121.29 1d6k s ILE 70 Ca 0.12 -0.59 -0.25 0.00 -1.10 0.00 0.00 60.65 58.83 1d6k s ILE 70 Cb -0.18 -2.38 -0.02 0.00 -1.06 0.00 0.00 42.46 38.83 1d6k s ILE 70 CO 0.13 0.51 0.81 -0.54 -0.10 0.00 0.00 174.94 175.75 1d6k s LYS 71 N 0.47 4.28 0.11 2.79 -0.14 -1.26 -0.14 119.74 125.86 1d6k s LYS 71 Ca -0.08 0.97 -0.12 0.00 -1.36 0.00 0.00 55.97 55.38 1d6k s LYS 71 Cb -0.15 -3.58 0.01 0.00 -1.68 0.00 0.00 37.83 32.43 1d6k s LYS 71 CO 0.04 -0.33 0.29 0.14 -0.76 0.00 0.00 175.35 174.73 1d6k s VAL 72 N 2.17 0.10 -0.01 3.17 -7.23 -0.76 -1.65 120.40 116.19 1d6k s VAL 72 Ca 0.37 -0.95 0.01 0.00 -1.81 0.00 0.00 61.98 59.60 1d6k s VAL 72 Cb -0.16 -1.32 0.01 0.00 0.56 0.00 0.00 36.38 35.46 1d6k s VAL 72 CO 0.12 -0.47 -0.03 -0.54 -0.31 0.00 0.00 175.10 173.87 1d6k s LYS 73 N -3.85 0.33 0.70 4.82 1.02 -0.81 -0.37 119.74 121.58 1d6k s LYS 73 Ca 0.05 -0.07 -0.16 0.00 0.02 0.00 0.00 55.97 55.81 1d6k s LYS 73 Cb 0.03 -0.37 0.01 0.00 -0.52 0.00 0.00 37.83 36.98 1d6k s LYS 73 CO -0.10 0.01 1.09 0.00 -0.92 0.00 0.00 175.35 175.42 1d6k n ALA 74 N 3.39 0.20 0.00 5.17 0.00 -1.26 -0.09 120.51 127.91 1d6k n ALA 74 Ca -0.18 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1d6k n ALA 74 Cb 0.56 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 -1.99 0.00 -3.43 0.00 1.13 -0.14 -4.74 117.38 108.21 1d6k n GLN 75 Ca 0.14 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.93 1d6k n GLN 75 Cb 0.49 -0.46 -0.11 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 -3.98 2.49 0.13 1.08 2.15 -1.21 -5.01 116.67 112.32 1d6k s ASP 76 Ca 0.00 -2.23 -0.24 0.00 0.43 0.00 0.00 52.55 50.51 1d6k s ASP 76 Cb 0.00 -0.26 -0.07 0.00 -0.30 0.00 0.00 42.92 42.28 1d6k s ASP 76 CO 0.00 -0.28 0.73 0.68 -0.17 0.00 0.00 175.17 176.12 1d6k s VAL 77 N 0.98 4.49 -0.18 1.11 -7.23 -1.26 -1.22 120.40 117.07 1d6k s VAL 77 Ca 0.20 1.58 0.01 0.00 -1.81 0.00 0.00 61.98 61.96 1d6k s VAL 77 Cb -0.18 -4.08 0.03 0.00 0.56 0.00 0.00 36.38 32.71 1d6k s VAL 77 CO -0.02 0.52 -0.16 -1.10 -0.31 0.00 0.00 175.10 174.02 1d6k s GLN 78 N -1.05 2.59 0.59 4.82 -0.21 0.47 -4.98 119.66 121.88 1d6k s GLN 78 Ca 0.34 -0.83 -0.06 0.00 0.02 0.00 0.00 55.36 54.84 1d6k s GLN 78 Cb -0.22 -2.47 0.01 0.00 1.00 0.00 0.00 33.01 31.32 1d6k s GLN 78 CO 0.24 -0.29 0.90 1.03 -2.12 0.00 0.00 175.29 175.05 1d6k s ARG 79 N 1.33 2.92 0.86 2.91 1.81 -1.26 -0.84 118.95 126.68 1d6k s ARG 79 Ca 0.02 -0.01 -0.11 0.00 -1.72 0.00 0.00 55.73 53.92 1d6k s ARG 79 Cb -0.14 -2.27 0.11 0.00 -0.45 0.00 0.00 34.95 32.20 1d6k s ARG 79 CO -0.11 -0.70 1.11 -1.01 -0.68 0.00 0.00 175.30 173.92 1d6k s HIS 80 N -2.99 2.10 -1.41 -0.53 3.76 0.06 -4.39 115.29 111.90 1d6k s HIS 80 Ca 0.54 1.60 0.28 0.00 -0.15 0.00 0.00 55.06 57.33 1d6k s HIS 80 Cb -0.11 -3.18 1.14 0.00 1.11 0.00 0.00 32.58 31.54 1d6k s HIS 80 CO 0.45 -2.38 1.82 -0.35 -0.85 0.00 0.00 174.74 173.43 1d6k n PRO 81 N -3.92 0.43 0.12 8.40 -0.04 -1.26 -4.61 135.00 134.12 1d6k n PRO 81 Ca 0.10 -0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1d6k n PRO 81 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1d6k n PRO 81 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1d6k n TYR 82 N -1.17 -2.40 -1.96 0.54 4.19 -1.26 -5.10 117.16 110.00 1d6k n TYR 82 Ca 0.12 0.53 -0.32 0.00 3.31 0.00 0.00 57.90 61.53 1d6k n TYR 82 Cb 0.30 1.13 0.02 0.00 0.49 0.00 0.00 39.34 41.27 1d6k n TYR 82 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 1d6k s LYS 83 N -2.00 3.25 0.00 2.98 -2.85 -1.26 -4.96 119.74 114.90 1d6k s LYS 83 Ca 0.00 1.16 0.00 0.00 -1.00 0.00 0.00 55.97 56.13 1d6k s LYS 83 Cb 0.00 -2.02 0.00 0.00 -2.06 0.00 0.00 37.83 33.75 1d6k s LYS 83 CO 0.00 -0.86 0.47 -0.35 0.10 0.00 0.00 175.35 174.71 1d6k n PRO 84 N -2.21 0.89 0.00 1.78 -0.04 -1.26 -4.04 135.00 130.11 1d6k n PRO 84 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1d6k n PRO 84 Cb 0.53 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.02 0.45 -4.34 0.54 4.76 -1.26 -4.75 118.16 113.57 1d6k n LYS 85 Ca 0.00 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.26 1d6k n LYS 85 Cb 0.21 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.30 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 2.55 0.00 -0.35 1.43 -1.26 -0.76 118.68 120.29 1d6k s LEU 86 Ca 0.00 -1.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.08 1d6k s LEU 86 Cb 0.00 -0.65 0.00 0.00 0.03 0.00 0.00 46.19 45.57 1d6k s LEU 86 CO 0.00 -0.18 0.00 0.00 0.23 0.00 0.00 176.35 176.40 1d6k n GLN 87 N -0.38 2.56 -3.55 1.70 6.02 -0.02 -4.49 117.38 119.22 1d6k n GLN 87 Ca -0.08 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.84 1d6k n GLN 87 Cb 0.60 -0.83 -0.03 0.00 1.02 0.00 0.00 30.24 31.01 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 -1.61 -0.27 -0.03 1.08 5.04 -1.18 -4.65 115.29 113.67 1d6k s HIS 88 Ca 0.00 0.24 -0.08 0.00 -1.54 0.00 0.00 55.06 53.68 1d6k s HIS 88 Cb 0.00 0.51 0.01 0.00 0.04 0.00 0.00 32.58 33.14 1d6k s HIS 88 CO 0.00 -0.38 0.17 0.42 -2.34 0.00 0.00 174.74 172.62 1d6k s ILE 89 N -2.44 0.05 -0.08 0.89 1.01 -1.25 -0.40 121.20 118.98 1d6k s ILE 89 Ca 0.05 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.32 1d6k s ILE 89 Cb -0.01 -0.39 0.01 0.00 0.01 0.00 0.00 42.46 42.09 1d6k s ILE 89 CO -0.06 -0.22 -0.14 -1.81 0.00 0.00 0.00 174.94 172.71 1d6k s ASP 90 N -0.80 2.05 0.11 3.58 1.11 -0.36 -1.84 116.67 120.53 1d6k s ASP 90 Ca -0.09 -0.35 0.10 0.00 0.18 0.00 0.00 52.55 52.39 1d6k s ASP 90 Cb -0.05 -0.94 -0.04 0.00 1.07 0.00 0.00 42.92 42.96 1d6k s ASP 90 CO 0.01 0.05 -0.22 -0.36 1.18 0.00 0.00 175.17 175.83 1d6k s PHE 91 N 0.67 2.43 0.12 4.23 0.40 -0.67 -0.97 117.98 124.18 1d6k s PHE 91 Ca -0.14 -0.32 0.02 0.00 -0.60 0.00 0.00 56.93 55.89 1d6k s PHE 91 Cb -0.16 -1.32 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 1d6k s PHE 91 CO 0.04 0.34 0.24 0.14 0.70 0.00 0.00 175.22 176.68 1d6k s VAL 92 N -1.07 5.28 -0.77 -0.44 -7.23 0.86 -0.82 120.40 116.21 1d6k s VAL 92 Ca 0.16 -0.60 -0.26 0.00 -1.81 0.00 0.00 61.98 59.46 1d6k s VAL 92 Cb -0.10 -3.66 -0.11 0.00 0.56 0.00 0.00 36.38 33.06 1d6k s VAL 92 CO 0.07 -0.00 2.33 -0.13 -0.31 0.00 0.00 175.10 177.06 1d6k s ARG 93 N -2.94 1.82 0.00 4.82 1.81 -0.10 -1.93 118.95 122.44 1d6k s ARG 93 Ca 0.34 0.48 0.11 0.00 -1.72 0.00 0.00 55.73 54.95 1d6k s ARG 93 Cb -0.12 -4.79 0.65 0.00 -0.45 0.00 0.00 34.95 30.24 1d6k s ARG 93 CO 0.28 -4.12 1.09 0.00 -0.68 0.00 0.00 175.30 171.88