#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 -1.76 -2.77 3.17 3.72 -1.26 -4.38 117.46 114.17 1d6k n PHE 2 Ca 0.00 0.79 -0.42 0.00 -0.05 0.00 0.00 57.45 57.78 1d6k n PHE 2 Cb 0.00 -3.25 -0.03 0.00 -0.94 0.00 0.00 39.48 35.26 1d6k n PHE 2 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1d6k s THR 3 N -3.49 4.89 -0.61 4.37 2.01 -1.26 -1.95 115.64 119.61 1d6k s THR 3 Ca 0.53 1.94 0.05 0.00 0.31 0.00 0.00 61.69 64.52 1d6k s THR 3 Cb -0.29 -4.26 0.19 0.00 0.01 0.00 0.00 72.50 68.15 1d6k s THR 3 CO 0.91 0.16 0.50 -0.38 -0.69 0.00 0.00 174.62 175.12 1d6k n ILE 4 N 3.96 0.95 -1.55 1.82 2.08 0.43 -4.86 119.36 122.20 1d6k n ILE 4 Ca 0.05 -4.54 -0.45 0.00 0.56 0.00 0.00 62.75 58.37 1d6k n ILE 4 Cb 0.51 -2.04 -0.04 0.00 -0.75 0.00 0.00 39.64 37.32 1d6k n ILE 4 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1d6k n ASN 5 N 1.95 2.83 -0.47 4.38 4.13 -1.26 -3.23 115.26 123.60 1d6k n ASN 5 Ca 0.24 0.24 0.00 0.00 1.68 0.00 0.00 54.58 56.74 1d6k n ASN 5 Cb 0.40 -1.46 0.00 0.00 -1.54 0.00 0.00 39.78 37.18 1d6k n ASN 5 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1d6k n ALA 6 N 11.27 0.00 -3.30 5.41 0.00 -0.83 -4.45 120.51 128.61 1d6k n ALA 6 Ca 0.34 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.64 1d6k n ALA 6 Cb 0.38 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.74 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 0.81 0.67 0.44 0.00 -1.05 -0.53 -1.64 118.70 117.39 1d6k s GLU 7 Ca 0.00 0.09 -0.24 0.00 -0.15 0.00 0.00 54.97 54.67 1d6k s GLU 7 Cb 0.00 0.31 -0.08 0.00 -0.44 0.00 0.00 34.13 33.92 1d6k s GLU 7 CO 0.00 -0.17 1.28 0.14 0.95 0.00 0.00 175.26 177.46 1d6k s VAL 8 N -0.86 2.65 0.06 1.83 -7.23 -1.26 -0.27 120.40 115.32 1d6k s VAL 8 Ca -0.09 0.54 0.02 0.00 -1.81 0.00 0.00 61.98 60.63 1d6k s VAL 8 Cb -0.04 -3.30 -0.03 0.00 0.56 0.00 0.00 36.38 33.57 1d6k s VAL 8 CO 0.04 0.05 -0.07 0.00 -0.31 0.00 0.00 175.10 174.81 1d6k s ARG 9 N -2.47 0.63 0.00 4.82 1.70 -0.23 -4.75 118.95 118.65 1d6k s ARG 9 Ca 0.61 -0.98 0.00 0.00 -0.47 0.00 0.00 55.73 54.89 1d6k s ARG 9 Cb -0.36 -0.22 0.00 0.00 -0.57 0.00 0.00 34.95 33.80 1d6k s ARG 9 CO 0.45 0.01 0.19 1.63 -1.08 0.00 0.00 175.30 176.51 1d6k n LYS 10 N 0.88 -0.05 0.00 3.89 4.76 -1.26 -4.20 118.16 122.17 1d6k n LYS 10 Ca -0.19 -0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.04 1d6k n LYS 10 Cb 0.57 -0.60 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 -0.02 0.41 -0.19 1.97 -0.58 -1.26 -4.65 120.64 116.33 1d6k n GLU 11 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 1d6k n GLU 11 Cb 0.25 -1.01 -0.04 0.00 -0.57 0.00 0.00 31.44 30.07 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 0.02 -0.24 0.00 3.49 -0.00 -1.94 -0.91 115.11 115.53 1d6k h GLN 12 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1d6k h GLN 12 Cb 0.01 0.05 0.00 0.00 -0.00 0.00 0.00 27.48 27.54 1d6k h GLN 12 CO 0.00 -0.16 0.00 0.41 -0.00 0.00 0.00 178.83 179.08 1d6k n GLY 13 N -1.41 0.00 0.00 0.06 0.00 -1.26 -4.08 105.19 98.50 1d6k n GLY 13 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.25 0.08 0.26 1.61 3.00 -1.24 -4.95 118.16 114.67 1d6k n LYS 14 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.41 1d6k n LYS 14 Cb 0.00 -0.01 0.70 0.00 0.00 0.00 0.00 35.03 35.72 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 0.00 0.02 3.14 0.00 -1.66 -2.74 103.07 101.83 1d6k h GLY 15 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1d6k h GLY 15 CO 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.53 1d6k h ALA 16 N 1.92 -0.02 0.00 3.60 0.00 -1.32 -3.16 119.26 120.28 1d6k h ALA 16 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1d6k h ALA 16 Cb 0.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1d6k h ALA 16 CO 0.01 -0.02 0.00 0.77 0.00 0.00 0.00 179.25 180.01 1d6k h SER 17 N -1.00 0.00 0.05 0.00 0.02 -1.68 -0.34 113.55 110.61 1d6k h SER 17 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1d6k h SER 17 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1d6k h SER 17 CO 0.00 0.00 -0.02 0.08 -1.14 0.00 0.00 176.83 175.75 1d6k h ARG 18 N 0.00 -0.06 -0.57 3.45 0.11 -1.65 -2.99 114.38 112.67 1d6k h ARG 18 Ca 0.00 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.00 1d6k h ARG 18 Cb 0.17 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.24 1d6k h ARG 18 CO 0.00 0.56 0.03 0.07 0.10 0.00 0.00 179.97 180.72 1d6k h ARG 19 N -0.89 0.98 0.84 0.08 0.11 -1.08 0.15 114.38 114.58 1d6k h ARG 19 Ca -0.01 -0.30 -0.04 0.00 0.10 0.00 0.00 59.98 59.73 1d6k h ARG 19 Cb 0.65 -0.10 0.01 0.00 1.11 0.00 0.00 29.97 31.64 1d6k h ARG 19 CO 0.01 0.97 -0.41 -0.07 0.10 0.00 0.00 179.97 180.57 1d6k h LEU 20 N 0.87 -0.98 -2.22 0.08 4.07 -1.39 -2.20 115.31 113.54 1d6k h LEU 20 Ca 0.16 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.15 1d6k h LEU 20 Cb 0.51 0.26 -0.00 0.00 1.08 0.00 0.00 40.66 42.50 1d6k h LEU 20 CO 0.02 -0.69 -0.06 0.08 -1.08 0.00 0.00 178.44 176.71 1d6k h ARG 21 N -1.14 0.00 0.00 1.13 -0.00 -1.44 -0.38 114.38 112.55 1d6k h ARG 21 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.86 1d6k h ARG 21 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.85 1d6k h ARG 21 CO 0.18 0.06 0.00 0.00 -0.00 0.00 0.00 179.97 180.21 1d6k h ALA 22 N 1.94 1.00 0.00 0.08 0.00 -0.47 -3.24 119.26 118.57 1d6k h ALA 22 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1d6k h ALA 22 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1d6k h ALA 22 CO 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 179.25 179.14 1d6k n ALA 23 N -1.87 2.13 -0.98 0.00 0.00 -0.38 -4.99 120.51 114.42 1d6k n ALA 23 Ca 0.03 -2.00 0.00 0.00 0.00 0.00 0.00 53.44 51.47 1d6k n ALA 23 Cb 0.32 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.95 -4.76 -4.49 0.00 3.02 -0.79 -4.99 115.26 102.30 1d6k n ASN 24 Ca 0.10 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.38 1d6k n ASN 24 Cb 0.61 -2.54 0.13 0.00 -0.61 0.00 0.00 39.78 37.37 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 -1.35 1.32 0.01 3.52 1.02 -0.29 -2.99 119.74 120.98 1d6k s LYS 25 Ca 0.00 -0.66 -0.26 0.00 0.02 0.00 0.00 55.97 55.07 1d6k s LYS 25 Cb 0.00 -2.09 0.06 0.00 -0.52 0.00 0.00 37.83 35.28 1d6k s LYS 25 CO 0.00 -1.83 0.60 -0.59 -0.92 0.00 0.00 175.35 172.61 1d6k s PHE 26 N -3.48 -0.55 0.66 3.18 -0.71 -0.83 -3.31 117.98 112.94 1d6k s PHE 26 Ca 0.68 0.77 -0.14 0.00 -1.04 0.00 0.00 56.93 57.21 1d6k s PHE 26 Cb -0.06 0.40 -0.00 0.00 -1.21 0.00 0.00 43.02 42.15 1d6k s PHE 26 CO 0.48 -0.64 1.08 -1.25 -1.34 0.00 0.00 175.22 173.55 1d6k s PRO 27 N -1.95 2.89 0.30 1.99 0.04 -1.26 -3.28 135.00 133.73 1d6k s PRO 27 Ca -0.08 1.23 0.07 0.00 0.04 0.00 0.00 61.00 62.27 1d6k s PRO 27 Cb -0.01 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 1d6k s PRO 27 CO 0.03 -1.16 0.25 0.00 0.04 0.00 0.00 177.00 176.16 1d6k n ALA 28 N -2.58 0.64 -2.34 8.56 0.00 -0.76 -3.88 120.51 120.15 1d6k n ALA 28 Ca 0.09 -1.75 -0.10 0.00 0.00 0.00 0.00 53.44 51.68 1d6k n ALA 28 Cb 0.53 1.41 -0.10 0.00 0.00 0.00 0.00 19.45 21.28 1d6k n ALA 28 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1d6k s ILE 29 N -3.21 0.53 -0.53 0.00 1.10 -0.93 -2.78 121.20 115.39 1d6k s ILE 29 Ca 0.35 -1.67 0.04 0.00 -0.51 0.00 0.00 60.65 58.85 1d6k s ILE 29 Cb 0.02 -1.35 0.14 0.00 0.15 0.00 0.00 42.46 41.43 1d6k s ILE 29 CO 0.25 -0.78 0.32 -0.63 -2.11 0.00 0.00 174.94 171.99 1d6k s ILE 30 N -3.10 2.05 0.70 2.00 1.01 -0.41 -1.40 121.20 122.05 1d6k s ILE 30 Ca 0.05 -3.23 0.01 0.00 0.00 0.00 0.00 60.65 57.48 1d6k s ILE 30 Cb 0.02 -2.40 0.14 0.00 0.01 0.00 0.00 42.46 40.22 1d6k s ILE 30 CO -0.05 -0.92 0.96 0.00 0.00 0.00 0.00 174.94 174.93 1d6k n TYR 31 N 2.96 -2.88 0.00 3.97 0.18 -0.23 -1.08 117.16 120.08 1d6k n TYR 31 Ca 0.12 -1.76 0.00 0.00 1.88 0.00 0.00 57.90 58.14 1d6k n TYR 31 Cb 0.35 -0.69 0.00 0.00 -0.38 0.00 0.00 39.34 38.62 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 -2.43 0.00 3.68 -7.48 0.00 -1.26 -0.79 105.19 96.90 1d6k n GLY 32 Ca 0.16 0.00 -0.27 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 -0.93 1.21 -0.02 0.00 -1.26 -4.85 105.19 99.34 1d6k n GLY 33 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.73 1d6k n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d6k n LYS 34 N -2.01 0.00 -0.02 1.61 4.01 -1.26 -4.97 118.16 115.52 1d6k n LYS 34 Ca -0.26 0.00 0.01 0.00 -0.51 0.00 0.00 58.31 57.54 1d6k n LYS 34 Cb 0.67 -0.13 0.01 0.00 -0.51 0.00 0.00 35.03 35.07 1d6k n LYS 34 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1d6k n GLU 35 N -2.11 2.38 -0.99 1.97 1.02 -1.26 -5.11 120.64 116.54 1d6k n GLU 35 Ca 0.00 -1.40 0.12 0.00 -0.02 0.00 0.00 57.16 55.86 1d6k n GLU 35 Cb 0.00 -1.03 -0.06 0.00 -0.02 0.00 0.00 31.44 30.34 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 -0.32 -2.60 -2.19 0.62 0.00 -1.26 -5.06 120.51 109.70 1d6k n ALA 36 Ca 0.01 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1d6k n ALA 36 Cb 0.23 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 -3.68 0.77 -3.38 0.00 -0.04 -1.26 -4.89 135.00 122.52 1d6k n PRO 37 Ca -0.05 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.27 1d6k n PRO 37 Cb 0.47 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.84 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 -0.42 0.20 1.53 2.96 -0.24 -4.95 118.68 117.75 1d6k s LEU 38 Ca 0.00 -0.52 -0.30 0.00 -0.22 0.00 0.00 54.13 53.09 1d6k s LEU 38 Cb 0.00 0.72 -0.08 0.00 0.50 0.00 0.00 46.19 47.33 1d6k s LEU 38 CO 0.00 -0.37 1.23 0.00 -1.32 0.00 0.00 176.35 175.89 1d6k s ALA 39 N 2.43 3.46 -0.01 5.97 0.00 -1.26 -1.29 121.76 131.06 1d6k s ALA 39 Ca 0.10 1.00 0.02 0.00 0.00 0.00 0.00 51.96 53.08 1d6k s ALA 39 Cb -0.14 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.55 1d6k s ALA 39 CO -0.29 -0.42 -0.06 0.96 0.00 0.00 0.00 175.76 175.95 1d6k s ILE 40 N -0.11 0.53 -0.33 0.00 -0.00 -1.12 -1.07 121.20 119.10 1d6k s ILE 40 Ca 0.53 -0.27 -0.24 0.00 -0.00 0.00 0.00 60.65 60.67 1d6k s ILE 40 Cb -0.34 -0.46 0.01 0.00 -0.00 0.00 0.00 42.46 41.67 1d6k s ILE 40 CO 0.38 0.16 0.85 -0.70 -0.00 0.00 0.00 174.94 175.62 1d6k s GLU 41 N -0.03 3.91 0.25 0.37 2.12 0.63 -1.84 118.70 124.11 1d6k s GLU 41 Ca 0.01 0.58 0.03 0.00 0.36 0.00 0.00 54.97 55.95 1d6k s GLU 41 Cb -0.04 -3.76 -0.05 0.00 0.26 0.00 0.00 34.13 30.54 1d6k s GLU 41 CO -0.00 -0.79 0.01 -0.48 -0.54 0.00 0.00 175.26 173.46 1d6k s LEU 42 N 3.16 2.15 0.09 2.70 2.34 -1.21 -1.46 118.68 126.45 1d6k s LEU 42 Ca 0.35 -1.25 -0.30 0.00 0.06 0.00 0.00 54.13 52.98 1d6k s LEU 42 Cb -0.13 -0.27 -0.06 0.00 -0.56 0.00 0.00 46.19 45.17 1d6k s LEU 42 CO 0.15 -0.54 1.16 -0.62 -1.06 0.00 0.00 176.35 175.44 1d6k s ASP 43 N -3.33 7.14 0.03 1.48 -1.08 -1.26 -1.96 116.67 117.69 1d6k s ASP 43 Ca 0.30 2.01 -0.23 0.00 -0.52 0.00 0.00 52.55 54.11 1d6k s ASP 43 Cb 0.06 -2.58 -0.16 0.00 -1.46 0.00 0.00 42.92 38.78 1d6k s ASP 43 CO 0.10 -0.40 1.44 -0.74 0.52 0.00 0.00 175.17 176.09 1d6k h HIS 44 N 6.37 0.14 -0.05 -5.34 -0.00 -1.81 -2.13 115.15 112.33 1d6k h HIS 44 Ca -0.42 -0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 59.83 1d6k h HIS 44 Cb 1.21 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 28.58 1d6k h HIS 44 CO 0.66 0.42 -0.40 0.22 -0.00 0.00 0.00 177.93 178.83 1d6k h ASP 45 N -0.18 0.11 0.00 3.26 3.58 -1.93 0.11 116.42 121.37 1d6k h ASP 45 Ca 0.02 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1d6k h ASP 45 Cb 0.37 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.39 1d6k h ASP 45 CO 0.00 0.51 0.00 1.17 -2.88 0.00 0.00 179.24 178.04 1d6k n LYS 46 N -4.05 0.00 0.18 0.28 4.81 -1.23 -3.29 118.16 114.85 1d6k n LYS 46 Ca -0.02 0.19 0.17 0.00 -0.87 0.00 0.00 58.31 57.78 1d6k n LYS 46 Cb 0.45 -1.16 0.79 0.00 0.02 0.00 0.00 35.03 35.12 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 0.56 0.10 3.15 3.04 -1.09 0.18 116.25 122.20 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 0.83 -0.05 0.00 -2.01 0.00 0.00 31.29 30.06 1d6k h VAL 47 CO 0.00 0.00 -0.52 -0.03 -1.01 0.00 0.00 177.57 176.01 1d6k h MET 48 N 0.00 -0.71 0.00 4.17 1.85 -0.88 0.13 114.93 119.49 1d6k h MET 48 Ca 0.11 0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.24 1d6k h MET 48 Cb 0.54 0.16 -0.00 0.00 0.43 0.00 0.00 31.60 32.73 1d6k h MET 48 CO -0.00 -0.47 -0.00 -0.97 -0.40 0.00 0.00 176.91 175.07 1d6k h ASN 49 N -0.73 0.00 0.00 1.39 -1.24 -0.95 -1.99 115.58 112.06 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 0.74 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.79 1d6k h ASN 49 CO -0.29 0.00 -0.06 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 -1.01 -3.33 114.93 120.12 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 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1d6k h MET 50 CO 0.00 0.00 0.24 0.37 1.06 0.00 0.00 176.91 178.58 1d6k h GLN 51 N -0.38 0.00 0.00 1.72 -0.00 -0.87 -0.71 115.11 114.86 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 0.06 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.54 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 -1.82 1.96 -2.39 3.38 0.00 -0.75 -4.65 120.51 116.25 1d6k n ALA 52 Ca -0.02 -0.08 -0.19 0.00 0.00 0.00 0.00 53.44 53.15 1d6k n ALA 52 Cb 0.28 -1.25 -0.10 0.00 0.00 0.00 0.00 19.45 18.38 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 -2.29 1.27 0.52 0.00 0.00 -0.27 -5.04 119.74 113.94 1d6k s LYS 53 Ca 0.19 -1.50 0.31 0.00 0.00 0.00 0.00 55.97 54.97 1d6k s LYS 53 Cb 0.10 -1.13 1.21 0.00 0.00 0.00 0.00 37.83 38.01 1d6k s LYS 53 CO 0.20 0.20 1.93 0.00 0.00 0.00 0.00 175.35 177.69 1d6k h ALA 54 N 2.86 1.00 0.00 0.59 0.00 -1.86 -2.22 119.26 119.63 1d6k h ALA 54 Ca -0.39 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1d6k h ALA 54 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1d6k h ALA 54 CO 0.58 0.05 0.04 0.93 0.00 0.00 0.00 179.25 180.85 1d6k h GLU 55 N 0.00 0.00 0.10 0.00 5.08 -1.94 -1.28 114.58 116.55 1d6k h GLU 55 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1d6k h GLU 55 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1d6k h GLU 55 CO 0.00 0.00 -0.05 0.35 -1.00 0.00 0.00 179.01 178.32 1d6k h PHE 56 N 0.00 -0.12 0.00 4.33 3.57 -1.60 -0.78 116.94 122.34 1d6k h PHE 56 Ca 0.00 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 1d6k h PHE 56 Cb 0.09 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1d6k h PHE 56 CO 0.00 0.40 -0.66 0.10 -2.23 0.00 0.00 178.31 175.91 1d6k h TYR 57 N -0.84 0.00 0.01 0.41 -0.00 -1.69 -3.31 116.97 111.55 1d6k h TYR 57 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.68 1d6k h TYR 57 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.31 1d6k h TYR 57 CO 0.12 0.66 -0.13 1.03 -0.00 0.00 0.00 178.16 179.84 1d6k h SER 58 N 0.00 0.10 -3.29 0.10 0.87 -1.36 -3.38 113.55 106.58 1d6k h SER 58 Ca -0.01 -0.86 -0.66 0.00 -1.23 0.00 0.00 61.79 59.03 1d6k h SER 58 Cb 1.44 -0.03 -0.30 0.00 -0.44 0.00 0.00 62.40 63.07 1d6k h SER 58 CO 0.09 0.94 -0.80 -1.61 -0.53 0.00 0.00 176.83 174.92 1d6k s GLU 59 N -2.80 3.24 0.43 2.24 2.02 -0.30 -5.06 118.70 118.48 1d6k s GLU 59 Ca -0.17 -0.75 -0.25 0.00 0.02 0.00 0.00 54.97 53.82 1d6k s GLU 59 Cb -0.01 -2.59 -0.09 0.00 0.10 0.00 0.00 34.13 31.53 1d6k s GLU 59 CO 0.71 0.07 1.23 1.55 0.02 0.00 0.00 175.26 178.85 1d6k n VAL 60 N 3.89 2.66 -4.10 2.63 3.14 -1.26 -4.43 118.33 120.86 1d6k n VAL 60 Ca -0.19 -0.50 -0.31 0.00 -2.96 0.00 0.00 64.34 60.38 1d6k n VAL 60 Cb 0.52 -1.50 -0.07 0.00 -1.06 0.00 0.00 33.84 31.73 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 -1.64 3.76 -0.46 6.55 1.43 0.42 -4.81 118.68 123.94 1d6k s LEU 61 Ca 0.62 0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.66 1d6k s LEU 61 Cb -0.51 -2.34 0.11 0.00 0.03 0.00 0.00 46.19 43.49 1d6k s LEU 61 CO 0.57 0.22 0.33 -0.89 0.23 0.00 0.00 176.35 176.81 1d6k s THR 62 N -1.29 4.19 -0.52 5.49 2.01 -0.82 -1.63 115.64 123.07 1d6k s THR 62 Ca 0.26 -1.75 -0.29 0.00 0.31 0.00 0.00 61.69 60.22 1d6k s THR 62 Cb -0.12 -3.74 0.03 0.00 0.01 0.00 0.00 72.50 68.68 1d6k s THR 62 CO 0.18 -0.74 1.20 -0.63 -0.69 0.00 0.00 174.62 173.94 1d6k s ILE 63 N 1.36 4.07 -1.08 1.82 -1.09 0.12 -0.43 121.20 125.97 1d6k s ILE 63 Ca 0.05 1.04 -0.14 0.00 -2.23 0.00 0.00 60.65 59.37 1d6k s ILE 63 Cb -0.26 -4.61 0.19 0.00 -1.58 0.00 0.00 42.46 36.20 1d6k s ILE 63 CO -0.01 -1.14 1.22 -0.69 -1.23 0.00 0.00 174.94 173.09 1d6k s VAL 64 N 4.85 5.27 -0.80 2.92 1.01 -1.20 -0.41 120.40 132.04 1d6k s VAL 64 Ca 0.47 -2.58 -0.25 0.00 0.00 0.00 0.00 61.98 59.62 1d6k s VAL 64 Cb -0.08 -4.76 -0.01 0.00 0.00 0.00 0.00 36.38 31.53 1d6k s VAL 64 CO 0.29 -1.43 1.75 0.68 0.00 0.00 0.00 175.10 176.39 1d6k s VAL 65 N 0.98 3.53 -1.59 2.92 -7.23 0.52 -1.96 120.40 117.56 1d6k s VAL 65 Ca 0.35 -0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.39 1d6k s VAL 65 Cb -0.06 -4.27 0.00 0.00 0.56 0.00 0.00 36.38 32.61 1d6k s VAL 65 CO -0.05 -1.21 0.00 -0.67 -0.31 0.00 0.00 175.10 172.86 1d6k n ASP 66 N 12.14 -4.80 0.00 4.85 2.03 -0.65 -1.60 116.55 128.52 1d6k n ASP 66 Ca 0.27 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.79 1d6k n ASP 66 Cb 0.50 -4.14 0.00 0.00 -0.72 0.00 0.00 41.12 36.76 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 -0.68 0.95 3.64 0.27 0.00 -1.24 -5.10 105.19 103.03 1d6k n GLY 67 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 1d6k n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d6k s LYS 68 N -0.36 4.08 -0.40 1.61 1.02 -0.63 -5.01 119.74 120.05 1d6k s LYS 68 Ca 0.00 -0.05 -0.17 0.00 0.02 0.00 0.00 55.97 55.77 1d6k s LYS 68 Cb 0.00 -3.58 0.01 0.00 -0.52 0.00 0.00 37.83 33.74 1d6k s LYS 68 CO 0.00 -0.08 0.41 -1.21 -0.92 0.00 0.00 175.35 173.55 1d6k s GLU 69 N 1.46 3.24 -0.17 1.68 2.02 -1.26 -0.35 118.70 125.33 1d6k s GLU 69 Ca 0.13 -0.66 -0.00 0.00 0.02 0.00 0.00 54.97 54.46 1d6k s GLU 69 Cb -0.15 -3.92 -0.00 0.00 0.10 0.00 0.00 34.13 30.16 1d6k s GLU 69 CO 0.08 -0.75 -0.14 0.42 0.02 0.00 0.00 175.26 174.89 1d6k s ILE 70 N 2.09 2.77 -0.14 -1.63 1.09 0.46 -4.90 121.20 120.93 1d6k s ILE 70 Ca 0.12 -0.73 -0.24 0.00 -1.10 0.00 0.00 60.65 58.70 1d6k s ILE 70 Cb -0.17 -2.19 -0.02 0.00 -1.06 0.00 0.00 42.46 39.02 1d6k s ILE 70 CO 0.13 0.50 0.75 -0.54 -0.10 0.00 0.00 174.94 175.68 1d6k s LYS 71 N 0.92 4.32 0.12 2.79 -0.14 -1.26 0.12 119.74 126.61 1d6k s LYS 71 Ca -0.03 0.89 -0.15 0.00 -1.36 0.00 0.00 55.97 55.32 1d6k s LYS 71 Cb -0.15 -3.54 0.03 0.00 -1.68 0.00 0.00 37.83 32.49 1d6k s LYS 71 CO -0.01 -0.19 0.37 0.14 -0.76 0.00 0.00 175.35 174.90 1d6k s VAL 72 N 1.69 0.08 -0.03 3.17 -7.23 -0.65 -1.43 120.40 116.00 1d6k s VAL 72 Ca 0.36 -0.65 0.03 0.00 -1.81 0.00 0.00 61.98 59.90 1d6k s VAL 72 Cb -0.17 -1.18 0.00 0.00 0.56 0.00 0.00 36.38 35.59 1d6k s VAL 72 CO 0.14 -0.36 -0.09 -0.54 -0.31 0.00 0.00 175.10 173.93 1d6k s LYS 73 N -3.77 0.99 0.25 4.82 1.02 -0.80 -0.43 119.74 121.82 1d6k s LYS 73 Ca 0.03 -0.32 -0.30 0.00 0.02 0.00 0.00 55.97 55.40 1d6k s LYS 73 Cb 0.02 -0.92 -0.10 0.00 -0.52 0.00 0.00 37.83 36.31 1d6k s LYS 73 CO -0.12 0.12 1.37 0.00 -0.92 0.00 0.00 175.35 175.80 1d6k s ALA 74 N 0.18 3.57 -0.02 5.17 0.00 -1.26 -0.52 121.76 128.88 1d6k s ALA 74 Ca -0.03 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1d6k s ALA 74 Cb -0.09 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 1d6k s ALA 74 CO 0.01 -0.65 -0.02 0.94 0.00 0.00 0.00 175.76 176.04 1d6k n GLN 75 N 2.05 0.04 -3.31 0.00 -0.06 -1.15 -4.74 117.38 110.22 1d6k n GLN 75 Ca 0.05 0.01 -0.10 0.00 -2.00 0.00 0.00 57.00 54.96 1d6k n GLN 75 Cb 0.41 -1.01 -0.06 0.00 -4.06 0.00 0.00 30.24 25.52 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 -4.22 0.46 0.37 1.69 2.15 -1.26 -5.07 116.67 110.79 1d6k s ASP 76 Ca -0.02 -0.55 -0.25 0.00 0.43 0.00 0.00 52.55 52.16 1d6k s ASP 76 Cb 0.01 1.05 -0.09 0.00 -0.30 0.00 0.00 42.92 43.58 1d6k s ASP 76 CO 0.04 -0.34 1.01 0.68 -0.17 0.00 0.00 175.17 176.40 1d6k s VAL 77 N 2.39 3.90 -0.26 1.11 -7.23 -1.26 -2.68 120.40 116.36 1d6k s VAL 77 Ca 0.11 1.48 0.02 0.00 -1.81 0.00 0.00 61.98 61.78 1d6k s VAL 77 Cb -0.12 -3.78 0.05 0.00 0.56 0.00 0.00 36.38 33.09 1d6k s VAL 77 CO -0.27 0.04 -0.10 -1.10 -0.31 0.00 0.00 175.10 173.36 1d6k s GLN 78 N -2.37 2.37 0.71 4.82 -0.21 0.44 -4.98 119.66 120.44 1d6k s GLN 78 Ca 0.55 -1.27 -0.11 0.00 0.02 0.00 0.00 55.36 54.55 1d6k s GLN 78 Cb -0.21 -2.90 0.02 0.00 1.00 0.00 0.00 33.01 30.92 1d6k s GLN 78 CO 0.26 -0.53 1.09 1.03 -2.12 0.00 0.00 175.29 175.02 1d6k s ARG 79 N 1.15 2.79 0.80 2.91 1.81 -1.26 -0.56 118.95 126.59 1d6k s ARG 79 Ca -0.07 0.53 -0.11 0.00 -1.72 0.00 0.00 55.73 54.37 1d6k s ARG 79 Cb -0.19 -2.01 0.07 0.00 -0.45 0.00 0.00 34.95 32.37 1d6k s ARG 79 CO -0.05 -1.10 1.09 -1.01 -0.68 0.00 0.00 175.30 173.55 1d6k s HIS 80 N -3.30 2.50 -0.93 -0.53 3.76 -0.04 -4.22 115.29 112.53 1d6k s HIS 80 Ca 0.58 1.52 0.27 0.00 -0.15 0.00 0.00 55.06 57.28 1d6k s HIS 80 Cb -0.12 -3.07 0.82 0.00 1.11 0.00 0.00 32.58 31.32 1d6k s HIS 80 CO 0.52 -1.93 1.65 -0.35 -0.85 0.00 0.00 174.74 173.79 1d6k n PRO 81 N -3.61 0.06 0.09 8.40 -0.04 -1.26 -4.63 135.00 134.01 1d6k n PRO 81 Ca 0.09 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1d6k n PRO 81 Cb 0.53 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.65 -1.49 -2.04 0.54 9.36 -1.26 -5.11 117.16 115.50 1d6k n TYR 82 Ca 0.06 0.26 -0.30 0.00 3.32 0.00 0.00 57.90 61.25 1d6k n TYR 82 Cb 0.36 0.50 0.03 0.00 -0.63 0.00 0.00 39.34 39.60 1d6k n TYR 82 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 1d6k s LYS 83 N -2.00 3.18 0.00 2.98 -2.85 -1.26 -4.97 119.74 114.81 1d6k s LYS 83 Ca 0.00 0.45 0.00 0.00 -1.00 0.00 0.00 55.97 55.42 1d6k s LYS 83 Cb 0.00 -2.12 0.00 0.00 -2.06 0.00 0.00 37.83 33.65 1d6k s LYS 83 CO 0.00 -0.74 0.51 -0.35 0.10 0.00 0.00 175.35 174.87 1d6k n PRO 84 N -2.78 0.97 0.00 1.78 -0.04 -1.26 -4.20 135.00 129.47 1d6k n PRO 84 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1d6k n PRO 84 Cb 0.56 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.01 -0.48 -4.46 0.54 4.76 -1.26 -4.80 118.16 112.44 1d6k n LYS 85 Ca 0.00 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 1d6k n LYS 85 Cb 0.23 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.29 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 2.26 -0.19 -0.35 1.43 -1.26 -0.86 118.68 119.71 1d6k s LEU 86 Ca 0.00 -0.66 0.14 0.00 -1.03 0.00 0.00 54.13 52.58 1d6k s LEU 86 Cb 0.00 -1.05 -0.21 0.00 0.03 0.00 0.00 46.19 44.96 1d6k s LEU 86 CO 0.00 0.14 0.01 0.00 0.23 0.00 0.00 176.35 176.73 1d6k n GLN 87 N 1.28 0.92 -3.60 1.70 6.02 0.28 -4.61 117.38 119.36 1d6k n GLN 87 Ca -0.18 0.02 -0.04 0.00 -0.01 0.00 0.00 57.00 56.78 1d6k n GLN 87 Cb 0.53 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 30.30 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 -2.45 -0.12 0.00 1.08 5.04 -1.18 -4.71 115.29 112.96 1d6k s HIS 88 Ca -0.13 0.09 -0.08 0.00 -1.54 0.00 0.00 55.06 53.39 1d6k s HIS 88 Cb 0.06 0.51 0.00 0.00 0.04 0.00 0.00 32.58 33.19 1d6k s HIS 88 CO 0.72 -0.18 0.15 0.42 -2.34 0.00 0.00 174.74 173.51 1d6k s ILE 89 N -2.24 0.08 0.19 0.89 1.01 -1.25 -0.42 121.20 119.47 1d6k s ILE 89 Ca 0.09 -0.70 0.10 0.00 0.00 0.00 0.00 60.65 60.14 1d6k s ILE 89 Cb -0.01 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.93 1d6k s ILE 89 CO -0.04 -0.38 -0.19 1.51 0.00 0.00 0.00 174.94 175.83 1d6k s ASP 90 N -1.45 2.98 0.07 3.58 1.47 -1.09 -2.20 116.67 120.04 1d6k s ASP 90 Ca -0.14 -0.91 0.04 0.00 1.18 0.00 0.00 52.55 52.72 1d6k s ASP 90 Cb -0.07 -0.20 -0.03 0.00 -0.34 0.00 0.00 42.92 42.28 1d6k s ASP 90 CO 0.01 -0.00 -0.12 -0.36 0.68 0.00 0.00 175.17 175.38 1d6k s PHE 91 N -2.14 1.03 0.04 2.11 0.08 -0.49 -2.92 117.98 115.70 1d6k s PHE 91 Ca 0.20 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.76 1d6k s PHE 91 Cb -0.06 -0.59 -0.04 0.00 -0.57 0.00 0.00 43.02 41.77 1d6k s PHE 91 CO 0.09 0.01 0.14 0.14 -0.10 0.00 0.00 175.22 175.50 1d6k s VAL 92 N -1.43 5.00 -0.69 -0.44 -7.23 0.33 -1.06 120.40 114.88 1d6k s VAL 92 Ca -0.04 -0.48 -0.25 0.00 -1.81 0.00 0.00 61.98 59.41 1d6k s VAL 92 Cb -0.09 -3.39 -0.13 0.00 0.56 0.00 0.00 36.38 33.33 1d6k s VAL 92 CO 0.01 0.20 2.42 0.54 -0.31 0.00 0.00 175.10 177.97 1d6k n ARG 93 N 0.61 0.69 0.00 4.82 5.12 0.02 -1.91 116.66 126.02 1d6k n ARG 93 Ca -0.09 -0.36 0.10 0.00 -1.93 0.00 0.00 57.85 55.58 1d6k n ARG 93 Cb 0.52 -3.24 0.61 0.00 -1.16 0.00 0.00 32.46 29.18 1d6k n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70