#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 -2.15 1.12 3.72 -1.26 -5.05 117.46 113.84 1d6k n PHE 2 Ca 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.39 1d6k n PHE 2 Cb 0.00 -0.21 -0.01 0.00 -0.94 0.00 0.00 39.48 38.33 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 -1.12-11.28 -3.63 4.37 -1.04 -1.26 -4.95 114.28 95.38 1d6k n THR 3 Ca 0.00 2.52 -0.38 0.00 -2.04 0.00 0.00 64.05 64.16 1d6k n THR 3 Cb 0.00 -5.62 -0.07 0.00 -1.82 0.00 0.00 70.33 62.82 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 4.30 -0.10 12.58 -1.09 -0.43 -4.89 121.20 131.07 1d6k s ILE 4 Ca -0.05 -3.39 -0.29 0.00 -2.23 0.00 0.00 60.65 54.69 1d6k s ILE 4 Cb 0.00 -3.70 -0.07 0.00 -1.58 0.00 0.00 42.46 37.11 1d6k s ILE 4 CO 0.13 -1.01 2.09 0.20 -1.23 0.00 0.00 174.94 175.11 1d6k s ASN 5 N 0.42 5.94 0.00 3.58 0.02 -1.26 -2.67 114.94 120.97 1d6k s ASN 5 Ca 0.23 2.25 0.00 0.00 -1.02 0.00 0.00 52.86 54.32 1d6k s ASN 5 Cb -0.12 -2.52 0.00 0.00 0.02 0.00 0.00 41.25 38.63 1d6k s ASN 5 CO -0.09 -1.52 0.00 0.00 0.02 0.00 0.00 177.10 175.52 1d6k n ALA 6 N 9.66 0.00 -3.31 0.60 0.00 -0.30 -4.27 120.51 122.89 1d6k n ALA 6 Ca 0.25 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.62 1d6k n ALA 6 Cb 0.43 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.82 1d6k n ALA 6 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1d6k s GLU 7 N -0.88 0.39 -0.26 0.00 2.02 -0.51 -1.96 118.70 117.51 1d6k s GLU 7 Ca 0.00 0.55 -0.39 0.00 0.02 0.00 0.00 54.97 55.15 1d6k s GLU 7 Cb 0.00 -0.29 -0.14 0.00 0.10 0.00 0.00 34.13 33.79 1d6k s GLU 7 CO 0.00 -0.70 1.84 1.33 0.02 0.00 0.00 175.26 177.74 1d6k n VAL 8 N 5.37 0.34 -4.34 2.63 0.24 -1.26 0.15 118.33 121.46 1d6k n VAL 8 Ca -0.02 -0.09 -0.19 0.00 -2.04 0.00 0.00 64.34 61.99 1d6k n VAL 8 Cb 0.50 -1.39 -0.13 0.00 -1.47 0.00 0.00 33.84 31.35 1d6k n VAL 8 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1d6k s ARG 9 N 4.04 0.89 0.00 7.34 1.70 -0.47 -4.87 118.95 127.58 1d6k s ARG 9 Ca 0.99 -0.71 0.00 0.00 -0.47 0.00 0.00 55.73 55.54 1d6k s ARG 9 Cb -0.98 -0.88 0.00 0.00 -0.57 0.00 0.00 34.95 32.52 1d6k s ARG 9 CO 0.61 0.22 0.17 1.63 -1.08 0.00 0.00 175.30 176.85 1d6k n LYS 10 N 1.98 2.07 0.00 3.89 4.76 -1.26 -4.41 118.16 125.18 1d6k n LYS 10 Ca -0.18 -0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.10 1d6k n LYS 10 Cb 0.55 -0.58 0.00 0.00 -1.84 0.00 0.00 35.03 33.15 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 -0.34 0.38 -0.30 1.97 0.00 -1.26 -4.52 120.64 116.57 1d6k n GLU 11 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 57.16 57.41 1d6k n GLU 11 Cb 0.04 -1.07 0.57 0.00 0.00 0.00 0.00 31.44 30.98 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 0.22 0.29 0.00 3.44 -0.00 -1.95 0.99 115.11 118.11 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 0.07 -0.07 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1d6k h GLN 12 CO 0.00 0.19 0.28 0.41 -0.00 0.00 0.00 178.83 179.71 1d6k n GLY 13 N -1.55 -0.30 0.00 0.06 0.00 -1.26 -4.38 105.19 97.77 1d6k n GLY 13 Ca 0.24 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.38 0.00 -0.14 1.61 4.76 -1.17 -5.01 118.16 116.83 1d6k n LYS 14 Ca -0.00 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.56 1d6k n LYS 14 Cb 0.28 0.00 0.47 0.00 -1.84 0.00 0.00 35.03 33.94 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 0.72 0.25 0.72 0.00 -1.72 -2.05 103.07 101.00 1d6k h GLY 15 Ca 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.04 1d6k h GLY 15 CO 0.00 0.11 -0.43 0.00 0.00 0.00 0.00 176.54 176.22 1d6k h ALA 16 N 1.66 0.00 -0.28 3.60 0.00 -1.06 -3.11 119.26 120.07 1d6k h ALA 16 Ca 0.32 -0.65 0.07 0.00 0.00 0.00 0.00 54.91 54.66 1d6k h ALA 16 Cb 0.60 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1d6k h ALA 16 CO -0.10 0.22 0.20 1.03 0.00 0.00 0.00 179.25 180.59 1d6k h SER 17 N -0.76 0.05 0.09 0.00 0.87 -1.63 -0.85 113.55 111.32 1d6k h SER 17 Ca -0.09 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.28 1d6k h SER 17 Cb 1.27 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1d6k h SER 17 CO 0.04 0.03 -0.95 0.08 -0.53 0.00 0.00 176.83 175.49 1d6k h ARG 18 N 0.05 0.19 -0.74 2.24 -0.00 -1.56 -3.19 114.38 111.37 1d6k h ARG 18 Ca 0.13 -0.33 -0.06 0.00 -0.00 0.00 0.00 59.98 59.72 1d6k h ARG 18 Cb 0.46 0.12 -0.03 0.00 -0.00 0.00 0.00 29.97 30.52 1d6k h ARG 18 CO -0.01 1.16 0.21 0.07 -0.00 0.00 0.00 179.97 181.40 1d6k h ARG 19 N -0.52 1.16 0.70 0.08 0.11 -1.23 0.24 114.38 114.91 1d6k h ARG 19 Ca -0.20 -0.26 -0.03 0.00 0.10 0.00 0.00 59.98 59.59 1d6k h ARG 19 Cb 1.54 -0.16 -0.00 0.00 1.11 0.00 0.00 29.97 32.46 1d6k h ARG 19 CO 0.05 0.99 -0.40 -0.07 0.10 0.00 0.00 179.97 180.64 1d6k h LEU 20 N 1.10 -1.01 -2.30 0.08 4.07 -1.37 -2.13 115.31 113.76 1d6k h LEU 20 Ca 0.24 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.25 1d6k h LEU 20 Cb 0.33 0.29 0.00 0.00 1.08 0.00 0.00 40.66 42.36 1d6k h LEU 20 CO -0.00 -0.63 0.00 0.08 -1.08 0.00 0.00 178.44 176.80 1d6k h ARG 21 N -1.02 0.00 0.00 1.13 0.11 -1.44 -1.34 114.38 111.82 1d6k h ARG 21 Ca -0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.99 1d6k h ARG 21 Cb 0.81 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.89 1d6k h ARG 21 CO 0.11 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.18 1d6k n ALA 22 N -2.07 1.99 -1.84 0.08 0.00 0.83 -4.30 120.51 115.20 1d6k n ALA 22 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1d6k n ALA 22 Cb 0.16 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.80 0.00 -1.12 0.00 0.00 -0.83 -5.04 120.51 111.72 1d6k n ALA 23 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1d6k n ALA 23 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1d6k n ALA 23 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1d6k n ASN 24 N -0.21 0.00 -4.32 0.00 0.23 -1.05 -5.10 115.26 104.80 1d6k n ASN 24 Ca 0.00 -0.56 -0.30 0.00 -0.53 0.00 0.00 54.58 53.19 1d6k n ASN 24 Cb 0.00 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 37.87 1d6k n ASN 24 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1d6k s LYS 25 N 0.00 0.79 0.00 -3.83 1.02 -0.57 -3.56 119.74 113.60 1d6k s LYS 25 Ca 0.00 -0.20 -0.28 0.00 0.02 0.00 0.00 55.97 55.50 1d6k s LYS 25 Cb 0.00 -1.84 0.08 0.00 -0.52 0.00 0.00 37.83 35.55 1d6k s LYS 25 CO 0.00 -2.35 0.71 -0.59 -0.92 0.00 0.00 175.35 172.20 1d6k s PHE 26 N -3.68 -0.57 0.76 3.18 -0.71 -0.75 -2.91 117.98 113.30 1d6k s PHE 26 Ca 0.70 0.76 -0.11 0.00 -1.04 0.00 0.00 56.93 57.24 1d6k s PHE 26 Cb -0.07 0.47 0.05 0.00 -1.21 0.00 0.00 43.02 42.26 1d6k s PHE 26 CO 0.52 -0.65 1.08 -1.25 -1.34 0.00 0.00 175.22 173.59 1d6k s PRO 27 N -2.11 2.40 0.32 1.99 0.04 -1.26 -3.18 135.00 133.20 1d6k s PRO 27 Ca -0.05 0.86 0.03 0.00 0.04 0.00 0.00 61.00 61.88 1d6k s PRO 27 Cb -0.00 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 1d6k s PRO 27 CO 0.01 -1.46 0.33 0.00 0.04 0.00 0.00 177.00 175.92 1d6k s ALA 28 N -3.05 1.40 0.06 8.56 0.00 -0.86 -3.82 121.76 124.04 1d6k s ALA 28 Ca 0.60 -1.84 0.02 0.00 0.00 0.00 0.00 51.96 50.74 1d6k s ALA 28 Cb -0.15 1.36 -0.03 0.00 0.00 0.00 0.00 23.12 24.30 1d6k s ALA 28 CO 0.55 -0.70 -0.07 -1.50 0.00 0.00 0.00 175.76 174.04 1d6k s ILE 29 N -3.40 0.56 -0.49 0.00 1.10 -0.69 -2.76 121.20 115.52 1d6k s ILE 29 Ca 0.37 -1.32 0.03 0.00 -0.51 0.00 0.00 60.65 59.22 1d6k s ILE 29 Cb 0.02 -0.90 0.14 0.00 0.15 0.00 0.00 42.46 41.86 1d6k s ILE 29 CO 0.23 -0.53 0.27 -0.63 -2.11 0.00 0.00 174.94 172.17 1d6k s ILE 30 N -2.03 1.96 0.46 2.00 1.01 -0.07 -1.36 121.20 123.16 1d6k s ILE 30 Ca -0.04 -2.99 0.06 0.00 0.00 0.00 0.00 60.65 57.67 1d6k s ILE 30 Cb -0.06 -2.36 0.08 0.00 0.01 0.00 0.00 42.46 40.14 1d6k s ILE 30 CO -0.01 -0.87 0.63 0.00 0.00 0.00 0.00 174.94 174.68 1d6k n TYR 31 N 3.23 -2.58 0.00 3.97 0.18 -0.11 -0.58 117.16 121.27 1d6k n TYR 31 Ca 0.09 -1.54 0.00 0.00 1.88 0.00 0.00 57.90 58.33 1d6k n TYR 31 Cb 0.34 -0.44 0.00 0.00 -0.38 0.00 0.00 39.34 38.86 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 -0.39 0.00 3.73 -7.48 0.00 -1.26 -1.48 105.19 98.31 1d6k n GLY 32 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1d6k n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d6k n GLY 33 N 0.00 -0.55 1.40 -0.02 0.00 -1.26 -4.85 105.19 99.91 1d6k n GLY 33 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.81 0.00 0.07 1.61 0.00 -1.26 -5.01 118.16 110.75 1d6k n LYS 34 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.21 1d6k n LYS 34 Cb 0.34 -0.27 0.00 0.00 0.00 0.00 0.00 35.03 35.10 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 -2.63 0.00 -3.59 1.64 1.02 -1.26 -5.15 120.64 110.66 1d6k n GLU 35 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1d6k n GLU 35 Cb 0.22 -0.15 -0.02 0.00 -0.02 0.00 0.00 31.44 31.47 1d6k n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1d6k s ALA 36 N -2.00 -1.89 1.00 0.62 0.00 -1.26 -5.16 121.76 113.07 1d6k s ALA 36 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1d6k s ALA 36 Cb 0.00 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.47 1d6k s ALA 36 CO 0.00 -0.79 0.00 -2.30 0.00 0.00 0.00 175.76 172.67 1d6k n PRO 37 N -0.29 -0.81 -3.37 0.00 -0.02 -1.26 -4.85 135.00 124.40 1d6k n PRO 37 Ca -0.06 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.30 1d6k n PRO 37 Cb 0.61 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 34.00 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 -0.51 0.17 2.45 2.96 0.25 -4.95 118.68 119.05 1d6k s LEU 38 Ca 0.00 -0.09 -0.30 0.00 -0.22 0.00 0.00 54.13 53.52 1d6k s LEU 38 Cb 0.00 0.90 -0.08 0.00 0.50 0.00 0.00 46.19 47.51 1d6k s LEU 38 CO 0.00 -0.33 1.33 0.00 -1.32 0.00 0.00 176.35 176.03 1d6k s ALA 39 N 2.48 3.54 0.03 5.97 0.00 -1.26 -0.90 121.76 131.62 1d6k s ALA 39 Ca 0.11 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.21 1d6k s ALA 39 Cb -0.15 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 1d6k s ALA 39 CO -0.20 -0.56 -0.11 0.96 0.00 0.00 0.00 175.76 175.86 1d6k s ILE 40 N 0.38 0.82 -0.41 0.00 -0.00 -1.11 -1.37 121.20 119.51 1d6k s ILE 40 Ca 0.59 -0.84 -0.11 0.00 -0.00 0.00 0.00 60.65 60.29 1d6k s ILE 40 Cb -0.36 -0.76 0.06 0.00 -0.00 0.00 0.00 42.46 41.39 1d6k s ILE 40 CO 0.36 -0.06 0.27 -0.70 -0.00 0.00 0.00 174.94 174.80 1d6k s GLU 41 N -1.01 2.74 0.32 0.37 2.12 0.12 -2.02 118.70 121.34 1d6k s GLU 41 Ca -0.01 -1.31 0.07 0.00 0.36 0.00 0.00 54.97 54.08 1d6k s GLU 41 Cb -0.07 -3.83 -0.06 0.00 0.26 0.00 0.00 34.13 30.43 1d6k s GLU 41 CO 0.01 -0.88 -0.06 -0.48 -0.54 0.00 0.00 175.26 173.31 1d6k s LEU 42 N 1.51 2.59 -0.07 2.70 2.34 -1.19 -1.42 118.68 125.13 1d6k s LEU 42 Ca 0.03 -1.23 -0.30 0.00 0.06 0.00 0.00 54.13 52.69 1d6k s LEU 42 Cb -0.22 -0.77 -0.03 0.00 -0.56 0.00 0.00 46.19 44.61 1d6k s LEU 42 CO 0.04 -0.32 1.14 -0.62 -1.06 0.00 0.00 176.35 175.53 1d6k s ASP 43 N -3.53 7.11 0.05 1.48 2.15 -1.26 -1.81 116.67 120.86 1d6k s ASP 43 Ca 0.32 1.72 -0.26 0.00 0.43 0.00 0.00 52.55 54.75 1d6k s ASP 43 Cb 0.04 -2.56 -0.17 0.00 -0.30 0.00 0.00 42.92 39.94 1d6k s ASP 43 CO 0.14 -0.54 1.53 -0.74 -0.17 0.00 0.00 175.17 175.40 1d6k h HIS 44 N 7.34 -0.27 -0.20 -5.34 -0.00 -1.85 -2.00 115.15 112.83 1d6k h HIS 44 Ca -0.33 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.01 1d6k h HIS 44 Cb 1.15 0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 28.64 1d6k h HIS 44 CO 0.73 -0.06 0.03 0.22 -0.00 0.00 0.00 177.93 178.84 1d6k h ASP 45 N -0.44 0.26 0.00 3.26 3.58 -1.93 0.19 116.42 121.34 1d6k h ASP 45 Ca -0.03 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1d6k h ASP 45 Cb 0.33 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1d6k h ASP 45 CO 0.05 0.29 0.00 1.17 -2.88 0.00 0.00 179.24 177.87 1d6k n LYS 46 N -4.40 0.00 0.22 0.28 4.81 -1.21 -3.26 118.16 114.61 1d6k n LYS 46 Ca 0.00 0.25 0.17 0.00 -0.87 0.00 0.00 58.31 57.86 1d6k n LYS 46 Cb 0.16 -1.22 0.85 0.00 0.02 0.00 0.00 35.03 34.84 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 0.48 0.05 3.15 3.04 -0.98 -0.29 116.25 121.70 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 0.87 -0.04 0.00 -2.01 0.00 0.00 31.29 30.11 1d6k h VAL 47 CO 0.00 0.00 -0.42 -0.03 -1.01 0.00 0.00 177.57 176.11 1d6k h MET 48 N 0.00 -0.54 -0.07 4.17 1.85 -0.74 0.13 114.93 119.73 1d6k h MET 48 Ca 0.07 0.04 0.02 0.00 -0.61 0.00 0.00 59.70 59.22 1d6k h MET 48 Cb 0.40 0.12 -0.00 0.00 0.43 0.00 0.00 31.60 32.55 1d6k h MET 48 CO -0.00 -0.36 0.13 -0.97 -0.40 0.00 0.00 176.91 175.31 1d6k h ASN 49 N -0.56 0.00 0.00 1.39 -1.24 -1.03 -1.36 115.58 112.78 1d6k h ASN 49 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1d6k h ASN 49 Cb 0.58 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.63 1d6k h ASN 49 CO -0.25 0.00 -0.03 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 -1.03 -3.34 114.93 120.09 1d6k h MET 50 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1d6k h MET 50 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1d6k h MET 50 CO -0.00 0.00 0.31 0.37 1.06 0.00 0.00 176.91 178.65 1d6k h GLN 51 N -0.26 0.00 0.00 1.72 -0.00 -0.83 -0.03 115.11 115.70 1d6k h GLN 51 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1d6k h GLN 51 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.51 1d6k h GLN 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.83 178.83 1d6k n ALA 52 N -1.83 2.06 -2.45 3.38 0.00 -0.51 -4.62 120.51 116.54 1d6k n ALA 52 Ca -0.02 -0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.10 1d6k n ALA 52 Cb 0.35 -1.26 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.12 1.61 0.44 0.00 0.00 -0.02 -5.04 119.74 114.61 1d6k s LYS 53 Ca 0.22 -1.77 0.24 0.00 0.00 0.00 0.00 55.97 54.67 1d6k s LYS 53 Cb 0.11 -1.51 0.51 0.00 0.00 0.00 0.00 37.83 36.94 1d6k s LYS 53 CO 0.20 0.21 1.67 0.00 0.00 0.00 0.00 175.35 177.43 1d6k h ALA 54 N 2.29 0.97 -0.01 0.59 0.00 -1.86 -2.94 119.26 118.30 1d6k h ALA 54 Ca -0.40 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1d6k h ALA 54 Cb 1.24 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1d6k h ALA 54 CO 0.64 0.07 0.06 0.93 0.00 0.00 0.00 179.25 180.94 1d6k h GLU 55 N 0.00 0.00 0.14 0.00 5.08 -1.93 -0.98 114.58 116.89 1d6k h GLU 55 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1d6k h GLU 55 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1d6k h GLU 55 CO 0.01 0.00 -0.07 0.35 -1.00 0.00 0.00 179.01 178.30 1d6k h PHE 56 N 0.00 -0.18 0.02 4.33 3.57 -1.72 -1.00 116.94 121.96 1d6k h PHE 56 Ca 0.01 -0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.28 1d6k h PHE 56 Cb 0.12 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1d6k h PHE 56 CO 0.00 0.27 -1.08 0.10 -2.23 0.00 0.00 178.31 175.37 1d6k h TYR 57 N -0.73 0.07 -0.06 0.41 -0.00 -1.68 -3.31 116.97 111.66 1d6k h TYR 57 Ca -0.02 -0.05 -0.25 0.00 0.00 0.00 0.00 58.73 58.41 1d6k h TYR 57 Cb 0.52 -0.00 0.02 0.00 0.00 0.00 0.00 36.73 37.27 1d6k h TYR 57 CO 0.08 1.04 -0.94 1.03 -0.00 0.00 0.00 178.16 179.37 1d6k h SER 58 N 0.01 0.92 -3.47 0.10 0.87 -1.30 -3.34 113.55 107.33 1d6k h SER 58 Ca -0.05 -0.68 -0.62 0.00 -1.23 0.00 0.00 61.79 59.22 1d6k h SER 58 Cb 1.81 -0.28 -0.33 0.00 -0.44 0.00 0.00 62.40 63.17 1d6k h SER 58 CO 0.14 1.48 -0.86 -1.61 -0.53 0.00 0.00 176.83 175.45 1d6k s GLU 59 N -3.49 2.46 0.58 2.24 2.02 -0.38 -5.05 118.70 117.08 1d6k s GLU 59 Ca -0.10 -0.71 -0.19 0.00 0.02 0.00 0.00 54.97 53.99 1d6k s GLU 59 Cb 0.08 -1.93 -0.06 0.00 0.10 0.00 0.00 34.13 32.32 1d6k s GLU 59 CO 0.91 0.15 0.97 1.55 0.02 0.00 0.00 175.26 178.87 1d6k n VAL 60 N 3.53 3.51 -4.23 2.63 3.14 -1.26 -4.39 118.33 121.26 1d6k n VAL 60 Ca -0.20 -0.50 -0.29 0.00 -2.96 0.00 0.00 64.34 60.39 1d6k n VAL 60 Cb 0.52 -1.16 -0.09 0.00 -1.06 0.00 0.00 33.84 32.05 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 -1.84 3.07 -0.80 6.55 1.43 0.59 -4.84 118.68 122.84 1d6k s LEU 61 Ca 0.74 -0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 53.35 1d6k s LEU 61 Cb -0.43 -1.82 0.20 0.00 0.03 0.00 0.00 46.19 44.17 1d6k s LEU 61 CO 0.49 0.15 0.68 -0.89 0.23 0.00 0.00 176.35 177.01 1d6k s THR 62 N -1.38 4.61 -0.20 5.49 2.01 -1.26 -1.56 115.64 123.36 1d6k s THR 62 Ca 0.23 -3.12 -0.29 0.00 0.31 0.00 0.00 61.69 58.82 1d6k s THR 62 Cb -0.10 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1d6k s THR 62 CO 0.15 -1.00 1.88 -0.63 -0.69 0.00 0.00 174.62 174.32 1d6k s ILE 63 N -0.47 3.35 -0.84 1.82 1.09 0.32 -1.32 121.20 125.16 1d6k s ILE 63 Ca 0.21 0.38 -0.15 0.00 -1.10 0.00 0.00 60.65 59.99 1d6k s ILE 63 Cb -0.13 -3.39 0.20 0.00 -1.06 0.00 0.00 42.46 38.08 1d6k s ILE 63 CO -0.08 -0.19 0.83 -0.69 -0.10 0.00 0.00 174.94 174.72 1d6k s VAL 64 N 6.33 5.41 -0.61 2.92 1.01 -1.09 -0.41 120.40 133.97 1d6k s VAL 64 Ca 0.84 -2.25 -0.25 0.00 0.00 0.00 0.00 61.98 60.33 1d6k s VAL 64 Cb -0.29 -4.53 0.04 0.00 0.00 0.00 0.00 36.38 31.60 1d6k s VAL 64 CO 0.34 -1.12 1.05 0.68 0.00 0.00 0.00 175.10 176.04 1d6k s VAL 65 N 0.75 4.20 -1.14 2.92 -7.23 0.58 -1.15 120.40 119.32 1d6k s VAL 65 Ca 0.20 0.30 0.00 0.00 -1.81 0.00 0.00 61.98 60.68 1d6k s VAL 65 Cb -0.10 -4.66 0.00 0.00 0.56 0.00 0.00 36.38 32.18 1d6k s VAL 65 CO -0.09 -1.34 0.00 -0.67 -0.31 0.00 0.00 175.10 172.69 1d6k n ASP 66 N 8.01 -4.12 0.00 4.85 2.03 -0.83 -1.16 116.55 125.33 1d6k n ASP 66 Ca 0.02 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.51 1d6k n ASP 66 Cb 0.48 -3.50 0.00 0.00 -0.72 0.00 0.00 41.12 37.38 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 -0.82 0.55 3.68 0.27 0.00 -1.25 -5.07 105.19 102.56 1d6k n GLY 67 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.90 4.12 -0.40 1.61 1.02 -0.31 -5.03 119.74 119.86 1d6k s LYS 68 Ca 0.00 -0.20 -0.11 0.00 0.02 0.00 0.00 55.97 55.68 1d6k s LYS 68 Cb 0.00 -3.50 0.05 0.00 -0.52 0.00 0.00 37.83 33.86 1d6k s LYS 68 CO 0.00 0.13 0.24 -1.21 -0.92 0.00 0.00 175.35 173.59 1d6k s GLU 69 N 0.84 2.77 -0.18 1.68 2.02 -1.26 -0.31 118.70 124.26 1d6k s GLU 69 Ca 0.09 -1.22 -0.03 0.00 0.02 0.00 0.00 54.97 53.83 1d6k s GLU 69 Cb -0.13 -3.78 -0.02 0.00 0.10 0.00 0.00 34.13 30.30 1d6k s GLU 69 CO 0.03 -0.81 -0.05 0.42 0.02 0.00 0.00 175.26 174.87 1d6k s ILE 70 N 1.52 3.54 -0.25 -1.63 1.09 0.45 -4.94 121.20 120.98 1d6k s ILE 70 Ca 0.02 -0.47 -0.22 0.00 -1.10 0.00 0.00 60.65 58.89 1d6k s ILE 70 Cb -0.21 -2.56 -0.01 0.00 -1.06 0.00 0.00 42.46 38.61 1d6k s ILE 70 CO 0.05 0.47 0.71 -0.54 -0.10 0.00 0.00 174.94 175.52 1d6k s LYS 71 N 0.84 4.14 0.09 2.79 -0.14 -1.26 -0.52 119.74 125.68 1d6k s LYS 71 Ca -0.02 0.70 -0.10 0.00 -1.36 0.00 0.00 55.97 55.19 1d6k s LYS 71 Cb -0.15 -3.65 0.01 0.00 -1.68 0.00 0.00 37.83 32.36 1d6k s LYS 71 CO 0.01 -0.45 0.24 0.14 -0.76 0.00 0.00 175.35 174.53 1d6k s VAL 72 N 2.62 0.12 -0.04 3.17 -7.23 -0.60 -1.20 120.40 117.25 1d6k s VAL 72 Ca 0.30 -1.03 0.02 0.00 -1.81 0.00 0.00 61.98 59.46 1d6k s VAL 72 Cb -0.15 -1.28 0.01 0.00 0.56 0.00 0.00 36.38 35.51 1d6k s VAL 72 CO 0.08 -0.57 -0.09 -0.54 -0.31 0.00 0.00 175.10 173.67 1d6k s LYS 73 N -3.79 1.11 0.22 4.82 1.02 -0.83 -0.30 119.74 121.99 1d6k s LYS 73 Ca 0.04 -0.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.43 1d6k s LYS 73 Cb 0.04 -1.01 -0.09 0.00 -0.52 0.00 0.00 37.83 36.25 1d6k s LYS 73 CO -0.11 0.06 1.37 0.00 -0.92 0.00 0.00 175.35 175.75 1d6k s ALA 74 N 0.43 3.58 -0.23 5.17 0.00 -1.26 -0.78 121.76 128.67 1d6k s ALA 74 Ca -0.07 1.21 -0.07 0.00 0.00 0.00 0.00 51.96 53.03 1d6k s ALA 74 Cb -0.11 -3.52 -0.12 0.00 0.00 0.00 0.00 23.12 19.37 1d6k s ALA 74 CO 0.01 -0.63 -0.27 0.94 0.00 0.00 0.00 175.76 175.81 1d6k n GLN 75 N 2.54 0.53 -3.59 0.00 0.00 -0.27 -4.76 117.38 111.82 1d6k n GLN 75 Ca 0.07 0.19 -0.06 0.00 -0.00 0.00 0.00 57.00 57.19 1d6k n GLN 75 Cb 0.42 -1.39 -0.08 0.00 0.00 0.00 0.00 30.24 29.19 1d6k n GLN 75 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1d6k s ASP 76 N -6.77 -0.43 -0.13 1.69 2.15 -1.25 -5.04 116.67 106.89 1d6k s ASP 76 Ca -0.32 1.00 -0.14 0.00 0.43 0.00 0.00 52.55 53.52 1d6k s ASP 76 Cb 0.11 1.55 -0.05 0.00 -0.30 0.00 0.00 42.92 44.24 1d6k s ASP 76 CO 0.46 -0.24 0.32 0.68 -0.17 0.00 0.00 175.17 176.22 1d6k s VAL 77 N 2.68 5.27 -0.47 1.11 -7.23 -1.26 -1.51 120.40 118.98 1d6k s VAL 77 Ca 0.01 0.62 -0.16 0.00 -1.81 0.00 0.00 61.98 60.64 1d6k s VAL 77 Cb -0.13 -3.65 0.07 0.00 0.56 0.00 0.00 36.38 33.23 1d6k s VAL 77 CO -0.15 0.41 0.39 -1.10 -0.31 0.00 0.00 175.10 174.35 1d6k s GLN 78 N 0.23 2.98 0.78 4.82 -0.21 0.31 -5.01 119.66 123.57 1d6k s GLN 78 Ca 0.18 -1.31 -0.11 0.00 0.02 0.00 0.00 55.36 54.14 1d6k s GLN 78 Cb -0.14 -4.12 0.06 0.00 1.00 0.00 0.00 33.01 29.81 1d6k s GLN 78 CO 0.06 -1.01 1.09 1.03 -2.12 0.00 0.00 175.29 174.34 1d6k s ARG 79 N 1.67 2.25 0.78 2.91 3.00 -1.26 -0.55 118.95 127.75 1d6k s ARG 79 Ca 0.04 0.70 -0.11 0.00 0.00 0.00 0.00 55.73 56.37 1d6k s ARG 79 Cb -0.24 -1.93 0.06 0.00 0.00 0.00 0.00 34.95 32.84 1d6k s ARG 79 CO 0.07 -1.52 1.09 -1.01 0.00 0.00 0.00 175.30 173.93 1d6k s HIS 80 N -3.14 2.55 -0.11 -0.53 3.76 -0.10 -4.43 115.29 113.30 1d6k s HIS 80 Ca 0.60 1.54 0.15 0.00 -0.15 0.00 0.00 55.06 57.20 1d6k s HIS 80 Cb -0.14 -3.06 -0.06 0.00 1.11 0.00 0.00 32.58 30.43 1d6k s HIS 80 CO 0.54 -1.84 1.12 -1.00 -0.85 0.00 0.00 174.74 172.72 1d6k h PRO 81 N -1.16 0.00 0.00 8.40 0.13 -1.98 -3.39 132.00 133.99 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 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1d6k h PRO 81 CO 0.51 0.46 0.00 0.66 -0.23 0.00 0.00 178.00 179.40 1d6k n TYR 82 N -3.08 0.00 -4.35 1.56 4.01 -1.26 -5.10 117.16 108.94 1d6k n TYR 82 Ca -0.04 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.48 1d6k n TYR 82 Cb 0.81 0.01 -0.11 0.00 -0.31 0.00 0.00 39.34 39.74 1d6k n TYR 82 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1d6k s LYS 83 N 0.00 1.33 -1.48 -0.72 3.01 -1.26 -5.04 119.74 115.57 1d6k s LYS 83 Ca 0.00 -1.45 -0.11 0.00 -1.01 0.00 0.00 55.97 53.40 1d6k s LYS 83 Cb 0.00 -1.41 -0.06 0.00 -1.01 0.00 0.00 37.83 35.35 1d6k s LYS 83 CO 0.00 0.29 2.66 -0.35 0.51 0.00 0.00 175.35 178.46 1d6k n PRO 84 N 0.23 3.25 -3.94 -1.68 -0.04 -1.26 -4.20 135.00 127.35 1d6k n PRO 84 Ca -0.13 -2.21 -0.20 0.00 -0.04 0.00 0.00 63.50 60.92 1d6k n PRO 84 Cb 0.57 -2.89 -0.06 0.00 -0.04 0.00 0.00 33.50 31.08 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 4.40 0.60 -4.40 0.54 4.76 -1.26 -5.01 118.16 117.79 1d6k n LYS 85 Ca 0.68 -2.81 -0.24 0.00 -2.87 0.00 0.00 58.31 53.07 1d6k n LYS 85 Cb 0.27 1.64 -0.11 0.00 -1.84 0.00 0.00 35.03 34.99 1d6k n LYS 85 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1d6k s LEU 86 N 0.00 2.48 -0.03 -0.35 1.43 -1.26 -0.93 118.68 120.02 1d6k s LEU 86 Ca 0.19 -0.91 0.02 0.00 -1.03 0.00 0.00 54.13 52.40 1d6k s LEU 86 Cb 0.01 -0.99 -0.03 0.00 0.03 0.00 0.00 46.19 45.21 1d6k s LEU 86 CO 0.14 0.02 0.01 0.00 0.23 0.00 0.00 176.35 176.75 1d6k n GLN 87 N 0.03 3.51 -3.62 1.70 6.02 0.29 -4.63 117.38 120.68 1d6k n GLN 87 Ca -0.11 -0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.87 1d6k n GLN 87 Cb 0.58 -1.07 -0.02 0.00 1.02 0.00 0.00 30.24 30.75 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 -2.06 -0.03 -0.03 1.08 5.04 -1.19 -4.65 115.29 113.44 1d6k s HIS 88 Ca -0.01 0.01 -0.07 0.00 -1.54 0.00 0.00 55.06 53.45 1d6k s HIS 88 Cb 0.01 0.51 0.01 0.00 0.04 0.00 0.00 32.58 33.14 1d6k s HIS 88 CO 0.10 -0.06 0.16 0.42 -2.34 0.00 0.00 174.74 173.02 1d6k s ILE 89 N -2.12 0.04 -0.10 0.89 1.01 -1.25 -0.53 121.20 119.14 1d6k s ILE 89 Ca 0.12 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.48 1d6k s ILE 89 Cb 0.01 -0.33 -0.01 0.00 0.01 0.00 0.00 42.46 42.13 1d6k s ILE 89 CO -0.03 -0.17 -0.17 -1.81 0.00 0.00 0.00 174.94 172.75 1d6k s ASP 90 N -0.58 3.67 0.22 3.58 1.01 -0.57 -1.70 116.67 122.30 1d6k s ASP 90 Ca -0.07 -0.39 0.11 0.00 0.71 0.00 0.00 52.55 52.91 1d6k s ASP 90 Cb -0.04 -1.36 -0.05 0.00 1.01 0.00 0.00 42.92 42.49 1d6k s ASP 90 CO 0.01 0.20 -0.21 -0.36 0.21 0.00 0.00 175.17 175.02 1d6k s PHE 91 N 0.13 2.17 0.16 4.23 0.40 -0.46 -1.12 117.98 123.48 1d6k s PHE 91 Ca -0.09 -0.38 0.07 0.00 -0.60 0.00 0.00 56.93 55.93 1d6k s PHE 91 Cb -0.15 -1.01 -0.04 0.00 0.51 0.00 0.00 43.02 42.32 1d6k s PHE 91 CO 0.06 0.54 -0.02 0.14 0.70 0.00 0.00 175.22 176.63 1d6k s VAL 92 N -2.16 3.64 -0.59 -0.44 -7.23 0.04 -0.93 120.40 112.73 1d6k s VAL 92 Ca 0.24 -1.39 -0.26 0.00 -1.81 0.00 0.00 61.98 58.75 1d6k s VAL 92 Cb -0.06 -2.80 -0.10 0.00 0.56 0.00 0.00 36.38 33.98 1d6k s VAL 92 CO 0.11 -0.06 2.45 0.54 -0.31 0.00 0.00 175.10 177.82 1d6k n ARG 93 N 0.06 0.86 0.00 4.82 5.12 -0.55 -1.97 116.66 125.00 1d6k n ARG 93 Ca -0.10 -0.10 0.16 0.00 -1.93 0.00 0.00 57.85 55.87 1d6k n ARG 93 Cb 0.55 -3.24 0.93 0.00 -1.16 0.00 0.00 32.46 29.54 1d6k n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70