#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 -2.54 3.17 3.72 -1.26 -5.03 117.46 115.52 1d6k n PHE 2 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 1d6k n PHE 2 Cb 0.00 -0.07 -0.03 0.00 -0.94 0.00 0.00 39.48 38.44 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 -0.83-11.93 -3.52 4.37 -1.04 -1.26 -4.91 114.28 95.15 1d6k n THR 3 Ca 0.00 2.66 -0.41 0.00 -2.04 0.00 0.00 64.05 64.26 1d6k n THR 3 Cb 0.00 -5.98 -0.05 0.00 -1.82 0.00 0.00 70.33 62.48 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 -0.58 4.83 0.03 12.58 -1.09 -0.07 -4.85 121.20 132.06 1d6k s ILE 4 Ca -0.17 -3.15 -0.30 0.00 -2.23 0.00 0.00 60.65 54.79 1d6k s ILE 4 Cb 0.01 -4.01 -0.09 0.00 -1.58 0.00 0.00 42.46 36.79 1d6k s ILE 4 CO 0.47 -1.03 1.97 0.59 -1.23 0.00 0.00 174.94 175.70 1d6k n ASN 5 N 3.17 4.13 -0.27 3.58 4.13 -1.26 -3.21 115.26 125.53 1d6k n ASN 5 Ca 0.16 0.91 0.00 0.00 1.68 0.00 0.00 54.58 57.33 1d6k n ASN 5 Cb 0.40 -1.52 0.00 0.00 -1.54 0.00 0.00 39.78 37.12 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 7.41 0.00 -3.43 5.41 0.00 -0.55 -4.28 120.51 125.08 1d6k n ALA 6 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.50 1d6k n ALA 6 Cb 0.40 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.77 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 0.50 0.73 0.41 0.00 -1.05 -0.62 -1.58 118.70 117.09 1d6k s GLU 7 Ca 0.00 0.50 -0.26 0.00 -0.15 0.00 0.00 54.97 55.06 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 -0.15 1.33 0.14 0.95 0.00 0.00 175.26 177.54 1d6k s VAL 8 N -0.28 2.49 0.07 1.83 -7.23 -1.26 -0.28 120.40 115.73 1d6k s VAL 8 Ca -0.05 0.45 0.02 0.00 -1.81 0.00 0.00 61.98 60.59 1d6k s VAL 8 Cb -0.03 -3.26 -0.03 0.00 0.56 0.00 0.00 36.38 33.61 1d6k s VAL 8 CO 0.03 0.07 -0.07 0.00 -0.31 0.00 0.00 175.10 174.83 1d6k s ARG 9 N -2.25 0.66 0.00 4.82 1.70 -0.31 -4.78 118.95 118.79 1d6k s ARG 9 Ca 0.57 -1.05 0.00 0.00 -0.47 0.00 0.00 55.73 54.78 1d6k s ARG 9 Cb -0.40 -0.19 0.00 0.00 -0.57 0.00 0.00 34.95 33.80 1d6k s ARG 9 CO 0.51 0.00 0.10 1.63 -1.08 0.00 0.00 175.30 176.46 1d6k n LYS 10 N 0.67 0.15 0.00 3.89 4.76 -1.26 -4.20 118.16 122.17 1d6k n LYS 10 Ca -0.17 -0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.17 1d6k n LYS 10 Cb 0.58 -0.53 0.00 0.00 -1.84 0.00 0.00 35.03 33.24 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 -0.05 0.49 -0.34 1.97 0.00 -1.26 -4.61 120.64 116.83 1d6k n GLU 11 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 57.16 57.35 1d6k n GLU 11 Cb 0.15 -1.10 0.42 0.00 0.00 0.00 0.00 31.44 30.91 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 0.21 0.50 0.00 3.44 -0.00 -1.96 0.17 115.11 117.48 1d6k h GLN 12 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1d6k h GLN 12 Cb 0.10 -0.11 0.00 0.00 -0.00 0.00 0.00 27.48 27.47 1d6k h GLN 12 CO 0.00 0.33 0.00 0.41 -0.00 0.00 0.00 178.83 179.57 1d6k n GLY 13 N -1.33 0.00 0.00 0.06 0.00 -1.26 -4.24 105.19 98.41 1d6k n GLY 13 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1d6k n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d6k n LYS 14 N -0.60 0.00 -0.18 1.61 4.76 -1.25 -5.01 118.16 117.48 1d6k n LYS 14 Ca 0.00 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.39 1d6k n LYS 14 Cb 0.00 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.21 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 0.00 0.72 0.72 0.00 -1.75 -1.61 103.07 101.15 1d6k h GLY 15 Ca 0.00 0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 1d6k h GLY 15 CO 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 176.54 176.24 1d6k h ALA 16 N 1.09 -0.23 -0.01 3.60 0.00 -1.18 -3.09 119.26 119.44 1d6k h ALA 16 Ca 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1d6k h ALA 16 Cb 0.52 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1d6k h ALA 16 CO -0.63 -0.49 0.04 0.77 0.00 0.00 0.00 179.25 178.94 1d6k h SER 17 N -0.51 0.00 0.23 0.00 0.02 -1.50 -0.06 113.55 111.73 1d6k h SER 17 Ca -0.02 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.59 1d6k h SER 17 Cb 0.39 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.89 1d6k h SER 17 CO 0.04 0.00 -2.03 -2.11 -1.14 0.00 0.00 176.83 171.59 1d6k n ARG 18 N -3.34 0.68 -0.01 3.45 -4.01 -0.80 -3.23 116.66 109.40 1d6k n ARG 18 Ca -0.03 0.21 -0.04 0.00 -1.04 0.00 0.00 57.85 56.95 1d6k n ARG 18 Cb 0.11 -1.68 0.19 0.00 -3.04 0.00 0.00 32.46 28.04 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 0.02 0.56 0.58 2.89 0.11 -0.99 0.12 114.38 117.67 1d6k h ARG 19 Ca -0.42 -0.20 -0.03 0.00 0.10 0.00 0.00 59.98 59.43 1d6k h ARG 19 Cb 2.05 -0.04 0.01 0.00 1.11 0.00 0.00 29.97 33.10 1d6k h ARG 19 CO 0.05 0.73 -0.28 -0.07 0.10 0.00 0.00 179.97 180.50 1d6k h LEU 20 N 0.50 -0.66 -2.10 0.08 4.07 -1.30 -1.86 115.31 114.05 1d6k h LEU 20 Ca 0.08 -0.02 0.08 0.00 0.08 0.00 0.00 57.88 58.09 1d6k h LEU 20 Cb 0.64 0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.54 1d6k h LEU 20 CO 0.05 -0.38 0.22 -0.09 -1.08 0.00 0.00 178.44 177.15 1d6k h ARG 21 N -0.92 0.00 0.00 1.13 2.43 -1.51 -0.15 114.38 115.37 1d6k h ARG 21 Ca -0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1d6k h ARG 21 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1d6k h ARG 21 CO 0.13 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.59 1d6k n ALA 22 N -2.48 2.27 -1.70 2.80 0.00 0.40 -4.27 120.51 117.53 1d6k n ALA 22 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1d6k n ALA 22 Cb 0.37 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.63 0.10 -1.12 0.00 0.00 -0.93 -5.04 120.51 111.89 1d6k n ALA 23 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1d6k n ALA 23 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.44 0.00 -4.73 0.00 3.02 -0.97 -5.10 115.26 107.04 1d6k n ASN 24 Ca 0.00 -0.56 -0.23 0.00 -0.03 0.00 0.00 54.58 53.76 1d6k n ASN 24 Cb 0.00 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.26 1d6k n ASN 24 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1d6k s LYS 25 N 0.00 1.84 0.02 3.52 1.02 -0.11 -3.17 119.74 122.85 1d6k s LYS 25 Ca 0.00 -1.01 -0.28 0.00 0.02 0.00 0.00 55.97 54.70 1d6k s LYS 25 Cb 0.00 -2.34 0.07 0.00 -0.52 0.00 0.00 37.83 35.03 1d6k s LYS 25 CO 0.00 -1.33 0.64 -0.59 -0.92 0.00 0.00 175.35 173.16 1d6k s PHE 26 N -3.09 -0.60 0.65 3.18 -0.71 -0.91 -3.05 117.98 113.45 1d6k s PHE 26 Ca 0.65 0.83 -0.12 0.00 -1.04 0.00 0.00 56.93 57.25 1d6k s PHE 26 Cb -0.06 0.45 -0.02 0.00 -1.21 0.00 0.00 43.02 42.18 1d6k s PHE 26 CO 0.43 -0.68 1.05 -1.25 -1.34 0.00 0.00 175.22 173.43 1d6k s PRO 27 N -2.05 3.24 0.31 1.99 0.04 -1.26 -3.29 135.00 133.98 1d6k s PRO 27 Ca -0.07 0.94 0.05 0.00 0.04 0.00 0.00 61.00 61.96 1d6k s PRO 27 Cb -0.00 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 1d6k s PRO 27 CO 0.02 -0.86 0.27 0.00 0.04 0.00 0.00 177.00 176.48 1d6k s ALA 28 N -2.97 1.69 0.05 8.56 0.00 -0.69 -3.82 121.76 124.58 1d6k s ALA 28 Ca 0.58 -1.99 0.04 0.00 0.00 0.00 0.00 51.96 50.59 1d6k s ALA 28 Cb -0.13 1.45 -0.02 0.00 0.00 0.00 0.00 23.12 24.41 1d6k s ALA 28 CO 0.50 -0.66 -0.11 -1.50 0.00 0.00 0.00 175.76 173.99 1d6k s ILE 29 N -3.51 0.85 -0.77 0.00 1.10 -0.51 -2.62 121.20 115.74 1d6k s ILE 29 Ca 0.40 -1.09 0.03 0.00 -0.51 0.00 0.00 60.65 59.48 1d6k s ILE 29 Cb 0.03 -0.84 0.19 0.00 0.15 0.00 0.00 42.46 41.99 1d6k s ILE 29 CO 0.25 -0.21 0.60 -0.63 -2.11 0.00 0.00 174.94 172.83 1d6k s ILE 30 N -1.15 3.41 0.00 2.00 1.01 0.01 -1.46 121.20 125.03 1d6k s ILE 30 Ca -0.04 -4.15 0.00 0.00 0.00 0.00 0.00 60.65 56.46 1d6k s ILE 30 Cb -0.09 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.20 1d6k s ILE 30 CO 0.01 -1.04 0.00 0.00 0.00 0.00 0.00 174.94 173.92 1d6k n TYR 31 N 2.08 -1.95 -2.61 3.97 4.11 -0.45 -1.28 117.16 121.04 1d6k n TYR 31 Ca 0.20 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 58.02 1d6k n TYR 31 Cb 0.36 0.00 0.04 0.00 -0.00 0.00 0.00 39.34 39.74 1d6k n TYR 31 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1d6k n GLY 32 N 5.00 -0.04 0.00 -7.48 0.00 -1.26 -1.78 105.19 99.63 1d6k n GLY 32 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.18 0.64 0.00 -0.02 0.00 -1.26 -2.24 105.19 101.13 1d6k n GLY 33 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -5.01 118.16 116.50 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 -0.54 0.00 -3.66 1.64 -0.58 -1.26 -5.09 120.64 111.15 1d6k n GLU 35 Ca 0.00 0.27 -0.02 0.00 -0.42 0.00 0.00 57.16 56.99 1d6k n GLU 35 Cb 0.00 -0.75 -0.01 0.00 -0.57 0.00 0.00 31.44 30.11 1d6k n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1d6k s ALA 36 N -3.17 -1.93 1.00 0.62 0.00 -1.26 -5.17 121.76 111.86 1d6k s ALA 36 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1d6k s ALA 36 Cb 0.00 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.55 1d6k s ALA 36 CO 0.00 -0.95 0.00 -2.30 0.00 0.00 0.00 175.76 172.51 1d6k n PRO 37 N -0.41 -0.03 -3.24 0.00 -0.02 -1.26 -4.79 135.00 125.25 1d6k n PRO 37 Ca -0.07 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.38 1d6k n PRO 37 Cb 0.61 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 34.05 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 -1.08 0.27 2.45 2.96 -0.41 -4.96 118.68 117.91 1d6k s LEU 38 Ca 0.00 0.19 -0.29 0.00 -0.22 0.00 0.00 54.13 53.81 1d6k s LEU 38 Cb 0.00 1.57 -0.09 0.00 0.50 0.00 0.00 46.19 48.16 1d6k s LEU 38 CO 0.00 -0.31 1.13 0.00 -1.32 0.00 0.00 176.35 175.85 1d6k s ALA 39 N 2.68 3.42 0.00 5.97 0.00 -1.26 -0.81 121.76 131.77 1d6k s ALA 39 Ca 0.13 0.93 0.02 0.00 0.00 0.00 0.00 51.96 53.05 1d6k s ALA 39 Cb -0.13 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 1d6k s ALA 39 CO -0.24 -0.23 -0.07 0.96 0.00 0.00 0.00 175.76 176.18 1d6k s ILE 40 N -0.97 0.55 -0.34 0.00 -0.00 -1.08 -1.16 121.20 118.21 1d6k s ILE 40 Ca 0.46 -0.39 -0.19 0.00 -0.00 0.00 0.00 60.65 60.53 1d6k s ILE 40 Cb -0.33 -0.48 -0.00 0.00 -0.00 0.00 0.00 42.46 41.65 1d6k s ILE 40 CO 0.41 0.09 0.57 -0.70 -0.00 0.00 0.00 174.94 175.32 1d6k s GLU 41 N -0.33 3.71 0.23 0.37 2.12 0.61 -1.70 118.70 123.72 1d6k s GLU 41 Ca 0.01 0.01 0.02 0.00 0.36 0.00 0.00 54.97 55.37 1d6k s GLU 41 Cb -0.03 -3.78 -0.05 0.00 0.26 0.00 0.00 34.13 30.52 1d6k s GLU 41 CO -0.00 -0.64 0.05 -0.48 -0.54 0.00 0.00 175.26 173.65 1d6k s LEU 42 N 2.52 1.92 0.06 2.70 2.34 -1.21 -1.59 118.68 125.42 1d6k s LEU 42 Ca 0.22 -1.29 -0.30 0.00 0.06 0.00 0.00 54.13 52.81 1d6k s LEU 42 Cb -0.15 -0.09 -0.05 0.00 -0.56 0.00 0.00 46.19 45.34 1d6k s LEU 42 CO 0.13 -0.63 1.12 -0.62 -1.06 0.00 0.00 176.35 175.29 1d6k s ASP 43 N -3.28 7.19 0.04 1.48 2.15 -1.26 -2.13 116.67 120.85 1d6k s ASP 43 Ca 0.32 1.92 -0.25 0.00 0.43 0.00 0.00 52.55 54.96 1d6k s ASP 43 Cb 0.07 -2.58 -0.17 0.00 -0.30 0.00 0.00 42.92 39.94 1d6k s ASP 43 CO 0.10 -0.37 1.47 -0.74 -0.17 0.00 0.00 175.17 175.46 1d6k h HIS 44 N 6.59 -0.17 -0.46 -5.34 -0.00 -1.84 -2.37 115.15 111.55 1d6k h HIS 44 Ca -0.42 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 59.94 1d6k h HIS 44 Cb 1.22 0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 28.66 1d6k h HIS 44 CO 0.67 0.08 0.24 0.22 -0.00 0.00 0.00 177.93 179.14 1d6k h ASP 45 N -0.40 0.57 0.00 3.26 3.58 -1.94 0.15 116.42 121.64 1d6k h ASP 45 Ca -0.02 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1d6k h ASP 45 Cb 0.32 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1d6k h ASP 45 CO 0.03 0.47 0.00 1.17 -2.88 0.00 0.00 179.24 178.03 1d6k n LYS 46 N -4.40 0.00 0.16 0.28 4.81 -1.23 -3.26 118.16 114.51 1d6k n LYS 46 Ca 0.04 0.24 0.18 0.00 -0.87 0.00 0.00 58.31 57.89 1d6k n LYS 46 Cb 0.11 -1.18 0.79 0.00 0.02 0.00 0.00 35.03 34.77 1d6k n LYS 46 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 1d6k h VAL 47 N 0.00 0.50 0.11 3.15 3.04 -1.12 0.02 116.25 121.95 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 0.79 -0.03 0.00 -2.01 0.00 0.00 31.29 30.04 1d6k h VAL 47 CO 0.00 0.00 -0.37 -0.03 -1.01 0.00 0.00 177.57 176.16 1d6k h MET 48 N 0.00 -0.53 0.00 4.17 1.85 -0.81 0.77 114.93 120.38 1d6k h MET 48 Ca 0.12 0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.25 1d6k h MET 48 Cb 0.65 0.12 0.00 0.00 0.43 0.00 0.00 31.60 32.80 1d6k h MET 48 CO -0.00 -0.35 0.00 -0.97 -0.40 0.00 0.00 176.91 175.19 1d6k h ASN 49 N -0.55 0.00 0.00 1.39 -1.24 -0.97 -1.50 115.58 112.71 1d6k h ASN 49 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1d6k h ASN 49 Cb 0.54 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.59 1d6k h ASN 49 CO -0.19 0.00 -0.03 0.24 -1.29 0.00 0.00 177.43 176.16 1d6k h MET 50 N 0.00 0.00 0.00 6.67 2.86 -0.96 -3.33 114.93 120.16 1d6k h MET 50 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1d6k h MET 50 Cb 0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1d6k h MET 50 CO 0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 1d6k n GLN 51 N -2.73 0.01 0.00 1.72 -0.00 0.14 -2.09 117.38 114.43 1d6k n GLN 51 Ca -0.00 0.40 0.05 0.00 -0.00 0.00 0.00 57.00 57.45 1d6k n GLN 51 Cb 0.01 -1.50 0.22 0.00 -0.00 0.00 0.00 30.24 28.97 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 -1.43 1.51 -2.34 2.61 0.00 -0.57 -4.66 120.51 115.64 1d6k n ALA 52 Ca 0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 53.44 53.25 1d6k n ALA 52 Cb 0.02 -1.15 -0.10 0.00 0.00 0.00 0.00 19.45 18.21 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 -2.80 1.12 0.42 0.00 0.00 -0.89 -5.05 119.74 112.54 1d6k s LYS 53 Ca 0.07 -1.43 0.23 0.00 0.00 0.00 0.00 55.97 54.83 1d6k s LYS 53 Cb 0.06 -0.81 0.86 0.00 0.00 0.00 0.00 37.83 37.94 1d6k s LYS 53 CO 0.16 0.13 1.80 0.00 0.00 0.00 0.00 175.35 177.44 1d6k h ALA 54 N 2.90 1.02 0.00 0.59 0.00 -1.88 -2.28 119.26 119.62 1d6k h ALA 54 Ca -0.38 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1d6k h ALA 54 Cb 1.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1d6k h ALA 54 CO 0.60 0.33 0.08 0.93 0.00 0.00 0.00 179.25 181.19 1d6k h GLU 55 N 0.00 0.00 0.08 0.00 5.08 -1.93 -0.93 114.58 116.88 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 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1d6k h GLU 55 CO 0.03 0.00 -0.04 0.35 -1.00 0.00 0.00 179.01 178.36 1d6k h PHE 56 N 0.00 -0.10 0.00 4.33 3.57 -1.62 -1.19 116.94 121.94 1d6k h PHE 56 Ca 0.00 -0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.30 1d6k h PHE 56 Cb 0.16 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 1d6k h PHE 56 CO 0.00 0.39 -0.95 0.10 -2.23 0.00 0.00 178.31 175.62 1d6k h TYR 57 N -0.65 0.00 0.11 0.41 -0.00 -1.62 -3.31 116.97 111.91 1d6k h TYR 57 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 58.73 58.44 1d6k h TYR 57 Cb 0.53 0.00 0.02 0.00 0.00 0.00 0.00 36.73 37.28 1d6k h TYR 57 CO 0.10 0.93 -1.19 1.03 -0.00 0.00 0.00 178.16 179.03 1d6k h SER 58 N 0.00 0.66 -3.29 0.10 0.87 -1.30 -3.37 113.55 107.22 1d6k h SER 58 Ca -0.02 -0.62 -0.61 0.00 -1.23 0.00 0.00 61.79 59.31 1d6k h SER 58 Cb 1.72 -0.21 -0.34 0.00 -0.44 0.00 0.00 62.40 63.14 1d6k h SER 58 CO 0.12 1.45 -0.85 -1.61 -0.53 0.00 0.00 176.83 175.41 1d6k s GLU 59 N -2.92 2.48 0.54 2.24 2.02 -0.45 -5.05 118.70 117.56 1d6k s GLU 59 Ca -0.07 -0.66 -0.20 0.00 0.02 0.00 0.00 54.97 54.06 1d6k s GLU 59 Cb 0.07 -2.01 -0.08 0.00 0.10 0.00 0.00 34.13 32.21 1d6k s GLU 59 CO 0.90 0.01 0.83 1.55 0.02 0.00 0.00 175.26 178.57 1d6k n VAL 60 N 3.98 2.89 -4.31 2.63 3.14 -1.26 -4.41 118.33 120.99 1d6k n VAL 60 Ca -0.20 -0.50 -0.26 0.00 -2.96 0.00 0.00 64.34 60.42 1d6k n VAL 60 Cb 0.52 -0.99 -0.09 0.00 -1.06 0.00 0.00 33.84 32.22 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 -0.70 2.94 -0.47 6.55 1.43 0.53 -4.81 118.68 124.17 1d6k s LEU 61 Ca 0.70 -0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 53.14 1d6k s LEU 61 Cb -0.47 -1.60 0.12 0.00 0.03 0.00 0.00 46.19 44.28 1d6k s LEU 61 CO 0.52 0.09 0.27 -0.89 0.23 0.00 0.00 176.35 176.57 1d6k s THR 62 N -1.84 3.44 -0.37 5.49 2.01 -1.26 -1.48 115.64 121.63 1d6k s THR 62 Ca 0.26 -2.29 -0.29 0.00 0.31 0.00 0.00 61.69 59.68 1d6k s THR 62 Cb -0.08 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.11 1d6k s THR 62 CO 0.15 -0.75 1.44 -0.63 -0.69 0.00 0.00 174.62 174.14 1d6k s ILE 63 N 0.83 3.90 -1.04 1.82 -1.09 0.92 -0.89 121.20 125.64 1d6k s ILE 63 Ca 0.10 0.95 -0.14 0.00 -2.23 0.00 0.00 60.65 59.33 1d6k s ILE 63 Cb -0.22 -4.11 0.19 0.00 -1.58 0.00 0.00 42.46 36.73 1d6k s ILE 63 CO -0.04 -0.63 1.17 -0.69 -1.23 0.00 0.00 174.94 173.52 1d6k s VAL 64 N 5.30 5.22 -0.76 2.92 1.01 -1.20 -0.48 120.40 132.41 1d6k s VAL 64 Ca 0.62 -2.43 -0.26 0.00 0.00 0.00 0.00 61.98 59.91 1d6k s VAL 64 Cb -0.16 -4.74 0.01 0.00 0.00 0.00 0.00 36.38 31.49 1d6k s VAL 64 CO 0.30 -1.41 1.54 0.68 0.00 0.00 0.00 175.10 176.21 1d6k s VAL 65 N 1.15 3.62 -1.56 2.92 -7.23 0.69 -1.48 120.40 118.50 1d6k s VAL 65 Ca 0.33 0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.61 1d6k s VAL 65 Cb -0.06 -4.57 0.00 0.00 0.56 0.00 0.00 36.38 32.31 1d6k s VAL 65 CO -0.06 -1.51 0.00 -0.67 -0.31 0.00 0.00 175.10 172.55 1d6k n ASP 66 N 10.71 -5.17 0.00 4.85 2.03 -0.62 -1.43 116.55 126.93 1d6k n ASP 66 Ca 0.16 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1d6k n ASP 66 Cb 0.50 -4.35 0.00 0.00 -0.72 0.00 0.00 41.12 36.55 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 -0.89 0.47 3.63 0.27 0.00 -1.25 -5.08 105.19 102.34 1d6k n GLY 67 Ca -0.21 0.00 -0.36 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 -0.80 4.00 -0.41 1.61 1.02 -0.51 -5.02 119.74 119.63 1d6k s LYS 68 Ca 0.00 -0.31 -0.14 0.00 0.02 0.00 0.00 55.97 55.54 1d6k s LYS 68 Cb 0.00 -3.46 0.03 0.00 -0.52 0.00 0.00 37.83 33.88 1d6k s LYS 68 CO 0.00 0.07 0.28 -1.21 -0.92 0.00 0.00 175.35 173.57 1d6k s GLU 69 N 1.01 2.91 -0.16 1.68 2.02 -1.26 -0.22 118.70 124.68 1d6k s GLU 69 Ca 0.06 -1.10 -0.02 0.00 0.02 0.00 0.00 54.97 53.94 1d6k s GLU 69 Cb -0.14 -3.92 -0.01 0.00 0.10 0.00 0.00 34.13 30.17 1d6k s GLU 69 CO 0.04 -0.78 -0.09 0.42 0.02 0.00 0.00 175.26 174.87 1d6k s ILE 70 N 1.63 3.23 -0.16 -1.63 1.09 0.36 -4.90 121.20 120.82 1d6k s ILE 70 Ca 0.04 -0.58 -0.24 0.00 -1.10 0.00 0.00 60.65 58.77 1d6k s ILE 70 Cb -0.20 -2.40 -0.02 0.00 -1.06 0.00 0.00 42.46 38.78 1d6k s ILE 70 CO 0.08 0.49 0.76 -0.54 -0.10 0.00 0.00 174.94 175.63 1d6k s LYS 71 N 0.70 4.30 0.10 2.79 -0.14 -1.26 -0.06 119.74 126.16 1d6k s LYS 71 Ca -0.05 0.89 -0.13 0.00 -1.36 0.00 0.00 55.97 55.33 1d6k s LYS 71 Cb -0.15 -3.56 0.02 0.00 -1.68 0.00 0.00 37.83 32.46 1d6k s LYS 71 CO 0.02 -0.25 0.30 0.14 -0.76 0.00 0.00 175.35 174.80 1d6k s VAL 72 N 1.89 0.10 -0.04 3.17 -7.23 -0.55 -1.23 120.40 116.50 1d6k s VAL 72 Ca 0.36 -0.85 0.02 0.00 -1.81 0.00 0.00 61.98 59.69 1d6k s VAL 72 Cb -0.17 -1.22 0.01 0.00 0.56 0.00 0.00 36.38 35.56 1d6k s VAL 72 CO 0.13 -0.47 -0.09 -0.54 -0.31 0.00 0.00 175.10 173.81 1d6k s LYS 73 N -3.71 1.19 0.19 4.82 1.02 -0.92 -0.34 119.74 121.98 1d6k s LYS 73 Ca 0.03 -0.30 -0.30 0.00 0.02 0.00 0.00 55.97 55.42 1d6k s LYS 73 Cb 0.03 -1.06 -0.09 0.00 -0.52 0.00 0.00 37.83 36.18 1d6k s LYS 73 CO -0.11 0.04 1.40 0.00 -0.92 0.00 0.00 175.35 175.76 1d6k s ALA 74 N 0.53 3.60 0.00 5.17 0.00 -1.26 -0.47 121.76 129.33 1d6k s ALA 74 Ca -0.09 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1d6k s ALA 74 Cb -0.13 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1d6k s ALA 74 CO 0.02 -0.65 0.00 1.04 0.00 0.00 0.00 175.76 176.17 1d6k n GLN 75 N 2.97 3.49 -3.31 0.00 1.13 -0.66 -4.68 117.38 116.33 1d6k n GLN 75 Ca 0.08 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 55.04 1d6k n GLN 75 Cb 0.41 -0.63 -0.06 0.00 0.11 0.00 0.00 30.24 30.07 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 -0.74 0.43 0.01 1.08 2.15 -1.20 -5.04 116.67 113.36 1d6k s ASP 76 Ca 0.00 -0.95 -0.21 0.00 0.43 0.00 0.00 52.55 51.82 1d6k s ASP 76 Cb 0.00 1.01 -0.06 0.00 -0.30 0.00 0.00 42.92 43.57 1d6k s ASP 76 CO 0.00 -0.29 0.60 0.68 -0.17 0.00 0.00 175.17 176.00 1d6k s VAL 77 N 1.97 4.87 0.66 1.11 -7.23 -1.26 -0.96 120.40 119.56 1d6k s VAL 77 Ca 0.14 1.27 -0.02 0.00 -1.81 0.00 0.00 61.98 61.55 1d6k s VAL 77 Cb -0.12 -3.94 0.08 0.00 0.56 0.00 0.00 36.38 32.96 1d6k s VAL 77 CO -0.15 0.44 0.93 -1.58 -0.31 0.00 0.00 175.10 174.42 1d6k s GLN 78 N -0.32 2.09 0.16 4.82 0.74 0.07 -4.99 119.66 122.23 1d6k s GLN 78 Ca 0.31 -0.76 -0.09 0.00 0.05 0.00 0.00 55.36 54.88 1d6k s GLN 78 Cb -0.19 -2.34 -0.01 0.00 1.10 0.00 0.00 33.01 31.58 1d6k s GLN 78 CO 0.18 -1.15 0.28 0.50 -0.55 0.00 0.00 175.29 174.55 1d6k s ARG 79 N -5.05 1.15 0.53 1.67 6.06 -1.26 -4.41 118.95 117.63 1d6k s ARG 79 Ca 0.62 -1.16 -0.04 0.00 -2.50 0.00 0.00 55.73 52.65 1d6k s ARG 79 Cb -0.08 0.38 0.00 0.00 0.06 0.00 0.00 34.95 35.30 1d6k s ARG 79 CO 0.42 -0.42 0.81 -1.58 -2.50 0.00 0.00 175.30 172.04 1d6k s HIS 80 N -3.96 3.27 -0.56 5.12 2.46 -0.53 -4.52 115.29 116.56 1d6k s HIS 80 Ca 0.16 0.52 0.24 0.00 0.47 0.00 0.00 55.06 56.45 1d6k s HIS 80 Cb 0.03 -2.56 0.31 0.00 -0.13 0.00 0.00 32.58 30.23 1d6k s HIS 80 CO -0.01 -0.62 1.31 -1.00 -2.47 0.00 0.00 174.74 171.95 1d6k h PRO 81 N 0.05 0.00 0.00 2.88 0.13 -1.97 -3.40 132.00 129.69 1d6k h PRO 81 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1d6k h PRO 81 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1d6k h PRO 81 CO 0.60 0.00 0.00 0.98 -0.23 0.00 0.00 178.00 179.35 1d6k n TYR 82 N -2.27 0.00 -4.05 1.56 9.36 -1.26 -5.05 117.16 115.44 1d6k n TYR 82 Ca 0.03 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.15 1d6k n TYR 82 Cb 0.46 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.09 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 -0.18 1.16 0.00 2.98 0.00 -1.26 -5.05 119.74 117.39 1d6k s LYS 83 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 55.97 54.64 1d6k s LYS 83 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 37.83 38.17 1d6k s LYS 83 CO 0.00 -0.41 0.88 -0.35 0.00 0.00 0.00 175.35 175.47 1d6k n PRO 84 N -0.22 0.91 -1.53 1.78 -0.04 -1.26 -3.34 135.00 131.30 1d6k n PRO 84 Ca -0.04 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.05 1d6k n PRO 84 Cb 0.64 -1.03 -0.07 0.00 -0.04 0.00 0.00 33.50 32.99 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 -0.46 0.69 -1.73 0.54 4.76 -1.26 -4.13 118.16 116.57 1d6k n LYS 85 Ca 0.00 -0.03 -0.42 0.00 -2.87 0.00 0.00 58.31 54.98 1d6k n LYS 85 Cb 0.02 -2.83 -0.03 0.00 -1.84 0.00 0.00 35.03 30.35 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 11.18 3.45 0.35 -0.35 1.43 -1.26 -1.46 118.68 132.02 1d6k s LEU 86 Ca 1.10 1.61 0.18 0.00 -1.03 0.00 0.00 54.13 55.99 1d6k s LEU 86 Cb -0.52 -3.41 0.46 0.00 0.03 0.00 0.00 46.19 42.75 1d6k s LEU 86 CO 0.33 -1.97 1.62 1.56 0.23 0.00 0.00 176.35 178.12 1d6k h GLN 87 N 14.78 0.00 -1.47 1.70 1.08 -1.79 -3.48 115.11 125.94 1d6k h GLN 87 Ca -0.37 0.00 0.23 0.00 -1.45 0.00 0.00 58.65 57.06 1d6k h GLN 87 Cb 1.22 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 28.44 1d6k h GLN 87 CO 1.00 0.39 0.79 -1.58 -0.95 0.00 0.00 178.83 178.48 1d6k s HIS 88 N -3.32 -0.15 -0.00 2.96 2.46 -1.26 -4.48 115.29 111.50 1d6k s HIS 88 Ca 0.02 0.14 -0.10 0.00 0.47 0.00 0.00 55.06 55.59 1d6k s HIS 88 Cb 0.09 0.51 0.01 0.00 -0.13 0.00 0.00 32.58 33.06 1d6k s HIS 88 CO 0.70 -0.21 0.20 0.42 -2.47 0.00 0.00 174.74 173.38 1d6k s ILE 89 N -2.11 0.08 -0.07 0.89 1.01 -1.25 -0.75 121.20 119.00 1d6k s ILE 89 Ca 0.08 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.10 1d6k s ILE 89 Cb -0.01 -0.52 0.02 0.00 0.01 0.00 0.00 42.46 41.96 1d6k s ILE 89 CO -0.05 -0.35 -0.08 -1.81 0.00 0.00 0.00 174.94 172.66 1d6k s ASP 90 N -1.42 1.63 -0.07 3.58 1.11 -0.13 -1.42 116.67 119.95 1d6k s ASP 90 Ca -0.14 -0.23 0.04 0.00 0.18 0.00 0.00 52.55 52.40 1d6k s ASP 90 Cb -0.06 -0.69 0.00 0.00 1.07 0.00 0.00 42.92 43.23 1d6k s ASP 90 CO 0.02 -0.05 -0.20 -0.36 1.18 0.00 0.00 175.17 175.77 1d6k s PHE 91 N 1.10 2.07 0.52 4.23 0.40 -0.54 -1.66 117.98 124.11 1d6k s PHE 91 Ca -0.07 -0.74 -0.12 0.00 -0.60 0.00 0.00 56.93 55.40 1d6k s PHE 91 Cb -0.14 -1.40 -0.06 0.00 0.51 0.00 0.00 43.02 41.93 1d6k s PHE 91 CO -0.01 -0.29 0.92 0.14 0.70 0.00 0.00 175.22 176.67 1d6k s VAL 92 N 0.27 4.71 -0.88 -0.44 -7.23 0.38 -1.34 120.40 115.87 1d6k s VAL 92 Ca -0.12 0.81 -0.25 0.00 -1.81 0.00 0.00 61.98 60.61 1d6k s VAL 92 Cb -0.15 -3.79 -0.06 0.00 0.56 0.00 0.00 36.38 32.93 1d6k s VAL 92 CO 0.05 -0.83 2.03 -0.13 -0.31 0.00 0.00 175.10 175.92 1d6k s ARG 93 N -4.49 2.38 0.00 4.82 1.81 -0.73 -2.17 118.95 120.57 1d6k s ARG 93 Ca 0.54 -0.13 0.16 0.00 -1.72 0.00 0.00 55.73 54.58 1d6k s ARG 93 Cb -0.10 -5.00 0.94 0.00 -0.45 0.00 0.00 34.95 30.33 1d6k s ARG 93 CO 0.41 -3.57 1.35 0.00 -0.68 0.00 0.00 175.30 172.81