#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d6k h PHE 2 N 0.00 -0.48 -5.28 1.12 0.04 -1.96 -3.49 116.94 106.88 1d6k h PHE 2 Ca 0.00 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.77 1d6k h PHE 2 Cb 0.00 0.17 -0.11 0.00 2.20 0.00 0.00 35.95 38.22 1d6k h PHE 2 CO 0.00 -0.27 -1.25 2.41 -0.60 0.00 0.00 178.31 178.60 1d6k n THR 3 N -3.39-10.22 -3.44 -1.55 -1.04 -1.26 -4.94 114.28 88.44 1d6k n THR 3 Ca -0.06 2.17 -0.43 0.00 -2.04 0.00 0.00 64.05 63.69 1d6k n THR 3 Cb 0.19 -5.63 -0.03 0.00 -1.82 0.00 0.00 70.33 63.04 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 -0.51 5.25 -0.78 12.58 -1.09 -0.53 -4.87 121.20 131.25 1d6k s ILE 4 Ca -0.23 -3.09 -0.26 0.00 -2.23 0.00 0.00 60.65 54.84 1d6k s ILE 4 Cb 0.02 -4.23 -0.09 0.00 -1.58 0.00 0.00 42.46 36.58 1d6k s ILE 4 CO 0.62 -1.07 2.19 0.20 -1.23 0.00 0.00 174.94 175.65 1d6k s ASN 5 N 1.27 4.53 0.03 3.58 0.02 -1.26 -3.13 114.94 119.99 1d6k s ASN 5 Ca 0.24 -0.07 0.00 0.00 -1.02 0.00 0.00 52.86 52.00 1d6k s ASN 5 Cb -0.11 -2.55 0.00 0.00 0.02 0.00 0.00 41.25 38.61 1d6k s ASN 5 CO -0.08 -3.22 0.00 0.00 0.02 0.00 0.00 177.10 173.82 1d6k n ALA 6 N 16.11 0.00 -3.26 0.60 0.00 -0.70 -4.74 120.51 128.53 1d6k n ALA 6 Ca 0.41 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.71 1d6k n ALA 6 Cb 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.83 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 1.64 0.62 0.37 0.00 -1.05 -0.43 -1.30 118.70 118.55 1d6k s GLU 7 Ca 0.00 0.01 -0.27 0.00 -0.15 0.00 0.00 54.97 54.57 1d6k s GLU 7 Cb 0.00 0.28 -0.09 0.00 -0.44 0.00 0.00 34.13 33.88 1d6k s GLU 7 CO 0.00 -0.16 1.26 0.14 0.95 0.00 0.00 175.26 177.45 1d6k s VAL 8 N -0.92 2.84 0.10 1.83 -7.23 -1.26 -0.22 120.40 115.53 1d6k s VAL 8 Ca -0.10 0.78 0.03 0.00 -1.81 0.00 0.00 61.98 60.88 1d6k s VAL 8 Cb -0.04 -3.47 -0.04 0.00 0.56 0.00 0.00 36.38 33.39 1d6k s VAL 8 CO 0.04 0.13 -0.09 0.00 -0.31 0.00 0.00 175.10 174.87 1d6k s ARG 9 N -2.05 0.85 0.00 4.82 1.70 -0.06 -4.75 118.95 119.47 1d6k s ARG 9 Ca 0.53 -1.24 0.00 0.00 -0.47 0.00 0.00 55.73 54.55 1d6k s ARG 9 Cb -0.36 -0.41 0.00 0.00 -0.57 0.00 0.00 34.95 33.61 1d6k s ARG 9 CO 0.47 0.04 0.07 1.63 -1.08 0.00 0.00 175.30 176.44 1d6k n LYS 10 N 0.28 -0.08 0.00 3.89 4.76 -1.26 -4.15 118.16 121.60 1d6k n LYS 10 Ca -0.14 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 1d6k n LYS 10 Cb 0.59 -0.55 0.00 0.00 -1.84 0.00 0.00 35.03 33.23 1d6k n LYS 10 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1d6k n GLU 11 N -0.01 0.35 -0.14 1.97 0.00 -1.26 -4.37 120.64 117.19 1d6k n GLU 11 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 57.16 57.42 1d6k n GLU 11 Cb 0.20 -1.01 0.71 0.00 0.00 0.00 0.00 31.44 31.35 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 0.03 0.00 0.00 3.44 -0.00 -1.95 0.07 115.11 116.71 1d6k h GLN 12 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1d6k h GLN 12 Cb 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.49 1d6k h GLN 12 CO 0.00 0.00 0.34 0.41 -0.00 0.00 0.00 178.83 179.58 1d6k n GLY 13 N -1.70 -0.42 0.00 0.06 0.00 -1.26 -4.59 105.19 97.27 1d6k n GLY 13 Ca 0.16 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.70 0.00 -0.02 1.61 4.76 -1.04 -5.02 118.16 116.75 1d6k n LYS 14 Ca -0.00 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.59 1d6k n LYS 14 Cb 0.35 0.00 0.59 0.00 -1.84 0.00 0.00 35.03 34.13 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 0.31 0.47 0.72 0.00 -1.65 -2.13 103.07 100.77 1d6k h GLY 15 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1d6k h GLY 15 CO 0.00 0.05 -0.11 0.00 0.00 0.00 0.00 176.54 176.47 1d6k h ALA 16 N 1.74 -0.32 0.00 3.60 0.00 -1.28 -2.22 119.26 120.77 1d6k h ALA 16 Ca 0.25 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1d6k h ALA 16 Cb 0.69 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1d6k h ALA 16 CO -0.04 -0.41 0.00 0.77 0.00 0.00 0.00 179.25 179.57 1d6k h SER 17 N -0.86 0.00 0.21 0.00 0.02 -1.64 0.22 113.55 111.51 1d6k h SER 17 Ca -0.03 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.57 1d6k h SER 17 Cb 0.51 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.00 1d6k h SER 17 CO 0.05 0.00 -2.04 -2.11 -1.14 0.00 0.00 176.83 171.59 1d6k n ARG 18 N -3.06 0.68 -0.02 3.45 -4.01 -1.07 -3.18 116.66 109.46 1d6k n ARG 18 Ca -0.02 0.21 -0.17 0.00 -1.04 0.00 0.00 57.85 56.82 1d6k n ARG 18 Cb 0.12 -1.67 -0.08 0.00 -3.04 0.00 0.00 32.46 27.79 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 0.73 0.32 2.89 0.11 -0.71 -2.11 114.38 115.64 1d6k h ARG 19 Ca -0.42 -0.61 -0.02 0.00 0.10 0.00 0.00 59.98 59.03 1d6k h ARG 19 Cb 2.05 0.13 0.00 0.00 1.11 0.00 0.00 29.97 33.26 1d6k h ARG 19 CO 0.05 1.22 -0.15 -0.07 0.10 0.00 0.00 179.97 181.11 1d6k h LEU 20 N 0.44 -0.36 -2.22 0.08 4.07 -1.17 -1.98 115.31 114.16 1d6k h LEU 20 Ca -0.05 -0.12 -0.00 0.00 0.08 0.00 0.00 57.88 57.79 1d6k h LEU 20 Cb 1.37 0.09 -0.00 0.00 1.08 0.00 0.00 40.66 43.21 1d6k h LEU 20 CO 0.15 -0.09 -0.00 0.08 -1.08 0.00 0.00 178.44 177.50 1d6k h ARG 21 N -0.64 0.00 0.00 1.13 0.11 -1.56 -0.16 114.38 113.26 1d6k h ARG 21 Ca -0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1d6k h ARG 21 Cb 0.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 1d6k h ARG 21 CO 0.07 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.15 1d6k n ALA 22 N -2.43 1.91 -1.15 0.08 0.00 -0.79 -3.29 120.51 114.84 1d6k n ALA 22 Ca -0.03 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.43 1d6k n ALA 22 Cb 0.09 -1.36 0.08 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.59 2.08 -1.01 0.00 0.00 -0.42 -4.99 120.51 114.57 1d6k n ALA 23 Ca 0.04 -1.86 -0.01 0.00 0.00 0.00 0.00 53.44 51.62 1d6k n ALA 23 Cb 0.26 -0.33 -0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.86 -5.16 -4.51 0.00 3.02 -0.83 -4.99 115.26 101.92 1d6k n ASN 24 Ca 0.09 0.01 -0.26 0.00 -0.03 0.00 0.00 54.58 54.39 1d6k n ASN 24 Cb 0.59 -2.71 0.13 0.00 -0.61 0.00 0.00 39.78 37.19 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 -1.51 1.38 0.01 3.52 1.02 -0.21 -2.95 119.74 121.01 1d6k s LYS 25 Ca 0.00 -0.73 -0.28 0.00 0.02 0.00 0.00 55.97 54.97 1d6k s LYS 25 Cb 0.00 -2.13 0.07 0.00 -0.52 0.00 0.00 37.83 35.25 1d6k s LYS 25 CO 0.00 -1.77 0.65 -0.59 -0.92 0.00 0.00 175.35 172.72 1d6k s PHE 26 N -3.43 -0.62 0.68 3.18 -0.71 -0.76 -3.38 117.98 112.95 1d6k s PHE 26 Ca 0.68 0.88 -0.12 0.00 -1.04 0.00 0.00 56.93 57.33 1d6k s PHE 26 Cb -0.06 0.45 0.00 0.00 -1.21 0.00 0.00 43.02 42.21 1d6k s PHE 26 CO 0.47 -0.68 1.07 -1.25 -1.34 0.00 0.00 175.22 173.50 1d6k s PRO 27 N -1.95 2.91 0.35 1.99 0.04 -1.26 -3.26 135.00 133.81 1d6k s PRO 27 Ca -0.07 1.09 0.07 0.00 0.04 0.00 0.00 61.00 62.12 1d6k s PRO 27 Cb -0.00 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 1d6k s PRO 27 CO 0.03 -1.13 0.26 0.00 0.04 0.00 0.00 177.00 176.20 1d6k s ALA 28 N -2.82 2.06 0.08 8.56 0.00 -0.62 -3.72 121.76 125.30 1d6k s ALA 28 Ca 0.61 -1.92 0.01 0.00 0.00 0.00 0.00 51.96 50.66 1d6k s ALA 28 Cb -0.15 1.36 -0.04 0.00 0.00 0.00 0.00 23.12 24.29 1d6k s ALA 28 CO 0.50 -0.61 -0.06 -1.50 0.00 0.00 0.00 175.76 174.09 1d6k s ILE 29 N -3.40 0.57 -0.27 0.00 1.10 -1.00 -2.44 121.20 115.75 1d6k s ILE 29 Ca 0.38 -1.74 -0.00 0.00 -0.51 0.00 0.00 60.65 58.78 1d6k s ILE 29 Cb 0.02 -1.43 0.08 0.00 0.15 0.00 0.00 42.46 41.28 1d6k s ILE 29 CO 0.26 -0.80 0.03 -0.63 -2.11 0.00 0.00 174.94 171.69 1d6k s ILE 30 N -3.23 1.20 0.00 2.00 1.01 -0.32 -1.36 121.20 120.50 1d6k s ILE 30 Ca 0.06 -1.32 0.00 0.00 0.00 0.00 0.00 60.65 59.40 1d6k s ILE 30 Cb 0.03 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.77 1d6k s ILE 30 CO -0.05 -0.40 0.00 0.00 0.00 0.00 0.00 174.94 174.49 1d6k n TYR 31 N 4.75 -0.08 0.00 3.97 0.18 -0.55 -0.54 117.16 124.89 1d6k n TYR 31 Ca -0.06 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.72 1d6k n TYR 31 Cb 0.44 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.40 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 5.00 0.00 2.35 -7.48 0.00 -1.26 -1.18 105.19 102.63 1d6k n GLY 32 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.18 0.00 -0.02 0.00 -1.26 -4.77 105.19 98.95 1d6k n GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.63 1.12 0.00 1.61 4.01 -1.26 -4.92 118.16 116.08 1d6k n LYS 34 Ca -0.15 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.65 1d6k n LYS 34 Cb 0.58 -0.85 0.00 0.00 -0.51 0.00 0.00 35.03 34.25 1d6k n LYS 34 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1d6k n GLU 35 N -1.93 1.51 -1.76 1.97 0.28 -1.26 -5.12 120.64 114.32 1d6k n GLU 35 Ca 0.00 -0.16 0.00 0.00 -0.16 0.00 0.00 57.16 56.84 1d6k n GLU 35 Cb 0.35 -0.56 0.00 0.00 1.43 0.00 0.00 31.44 32.66 1d6k n GLU 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1d6k n ALA 36 N -0.26 -2.09 -0.40 -1.84 0.00 -1.26 -5.06 120.51 109.60 1d6k n ALA 36 Ca 0.00 0.45 -0.22 0.00 0.00 0.00 0.00 53.44 53.67 1d6k n ALA 36 Cb 0.06 -1.41 0.21 0.00 0.00 0.00 0.00 19.45 18.31 1d6k n ALA 36 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1d6k n PRO 37 N 0.42 -3.37 -3.32 0.00 -0.01 -1.26 -5.01 135.00 122.44 1d6k n PRO 37 Ca 0.00 -1.00 -0.11 0.00 -0.01 0.00 0.00 63.50 62.38 1d6k n PRO 37 Cb 0.00 -1.66 -0.07 0.00 -0.01 0.00 0.00 33.50 31.76 1d6k n PRO 37 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 175.50 174.32 1d6k s LEU 38 N -3.25 -0.60 0.21 2.45 2.96 0.30 -4.98 118.68 115.78 1d6k s LEU 38 Ca 0.49 -0.70 -0.30 0.00 -0.22 0.00 0.00 54.13 53.39 1d6k s LEU 38 Cb -0.09 0.95 -0.09 0.00 0.50 0.00 0.00 46.19 47.46 1d6k s LEU 38 CO 0.42 -0.33 1.26 0.00 -1.32 0.00 0.00 176.35 176.38 1d6k s ALA 39 N 2.26 3.49 -0.04 5.97 0.00 -1.26 -1.18 121.76 131.00 1d6k s ALA 39 Ca 0.11 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.16 1d6k s ALA 39 Cb -0.13 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.56 1d6k s ALA 39 CO -0.24 -0.47 -0.08 0.96 0.00 0.00 0.00 175.76 175.93 1d6k s ILE 40 N -0.17 0.77 -0.12 0.00 -0.00 -1.02 -0.88 121.20 119.78 1d6k s ILE 40 Ca 0.54 -0.30 -0.29 0.00 -0.00 0.00 0.00 60.65 60.60 1d6k s ILE 40 Cb -0.35 -0.72 -0.01 0.00 -0.00 0.00 0.00 42.46 41.38 1d6k s ILE 40 CO 0.40 0.26 0.98 -0.70 -0.00 0.00 0.00 174.94 175.88 1d6k s GLU 41 N 0.54 4.39 0.13 0.37 2.12 0.69 -1.59 118.70 125.35 1d6k s GLU 41 Ca -0.09 1.33 -0.02 0.00 0.36 0.00 0.00 54.97 56.56 1d6k s GLU 41 Cb -0.12 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 1d6k s GLU 41 CO 0.01 -0.34 0.07 -0.48 -0.54 0.00 0.00 175.26 173.98 1d6k s LEU 42 N 2.11 1.74 0.23 2.70 2.34 -1.20 -1.32 118.68 125.28 1d6k s LEU 42 Ca 0.46 -1.18 -0.30 0.00 0.06 0.00 0.00 54.13 53.18 1d6k s LEU 42 Cb -0.18 0.36 -0.09 0.00 -0.56 0.00 0.00 46.19 45.72 1d6k s LEU 42 CO 0.16 -0.74 1.04 -0.62 -1.06 0.00 0.00 176.35 175.13 1d6k s ASP 43 N -3.04 7.41 -0.06 1.48 -1.08 -1.26 -1.82 116.67 118.30 1d6k s ASP 43 Ca 0.23 2.09 -0.26 0.00 -0.52 0.00 0.00 52.55 54.09 1d6k s ASP 43 Cb 0.07 -2.61 -0.22 0.00 -1.46 0.00 0.00 42.92 38.70 1d6k s ASP 43 CO 0.01 -0.05 1.07 -0.74 0.52 0.00 0.00 175.17 175.98 1d6k h HIS 44 N 4.33 -0.02 0.00 -5.34 -0.00 -1.82 -2.79 115.15 109.51 1d6k h HIS 44 Ca -0.45 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 59.87 1d6k h HIS 44 Cb 1.21 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 28.62 1d6k h HIS 44 CO 0.61 0.62 -0.23 0.22 -0.00 0.00 0.00 177.93 179.14 1d6k h ASP 45 N -0.69 0.00 0.00 3.26 3.58 -1.94 0.16 116.42 120.79 1d6k h ASP 45 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1d6k h ASP 45 Cb 0.65 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.70 1d6k h ASP 45 CO 0.00 0.23 0.00 1.17 -2.88 0.00 0.00 179.24 177.77 1d6k n LYS 46 N -3.70 0.00 -0.03 0.28 4.81 -1.25 -3.25 118.16 115.02 1d6k n LYS 46 Ca -0.01 0.00 0.24 0.00 -0.87 0.00 0.00 58.31 57.67 1d6k n LYS 46 Cb 0.35 -0.97 0.72 0.00 0.02 0.00 0.00 35.03 35.15 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 0.42 0.14 3.15 3.04 -1.28 -0.09 116.25 121.62 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 0.57 -0.04 0.00 -2.01 0.00 0.00 31.29 29.81 1d6k h VAL 47 CO 0.00 0.00 -0.48 -0.03 -1.01 0.00 0.00 177.57 176.05 1d6k h MET 48 N 0.00 -0.68 -0.15 4.17 1.85 -0.78 0.11 114.93 119.45 1d6k h MET 48 Ca 0.30 0.05 0.04 0.00 -0.61 0.00 0.00 59.70 59.48 1d6k h MET 48 Cb 1.44 0.15 -0.01 0.00 0.43 0.00 0.00 31.60 33.62 1d6k h MET 48 CO -0.00 -0.45 0.18 -0.97 -0.40 0.00 0.00 176.91 175.26 1d6k h ASN 49 N -0.71 0.00 0.00 1.39 -1.24 -0.99 -1.64 115.58 112.40 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 0.70 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.75 1d6k h ASN 49 CO -0.25 0.00 -0.00 0.24 -1.29 0.00 0.00 177.43 176.13 1d6k h MET 50 N 0.00 0.00 0.00 6.67 2.86 -1.04 -3.32 114.93 120.10 1d6k h MET 50 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1d6k h MET 50 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1d6k h MET 50 CO -0.00 0.00 0.22 0.37 1.06 0.00 0.00 176.91 178.56 1d6k h GLN 51 N -0.27 0.00 0.00 1.72 -0.00 -0.88 -1.74 115.11 113.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 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 -1.79 1.81 -2.41 3.38 0.00 -0.62 -4.64 120.51 116.25 1d6k n ALA 52 Ca -0.02 -0.07 -0.20 0.00 0.00 0.00 0.00 53.44 53.15 1d6k n ALA 52 Cb 0.26 -1.23 -0.11 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 -2.54 1.30 0.52 0.00 0.00 -0.65 -5.04 119.74 113.32 1d6k s LYS 53 Ca 0.14 -1.49 0.31 0.00 0.00 0.00 0.00 55.97 54.92 1d6k s LYS 53 Cb 0.09 -1.23 1.19 0.00 0.00 0.00 0.00 37.83 37.88 1d6k s LYS 53 CO 0.21 0.23 1.92 0.00 0.00 0.00 0.00 175.35 177.71 1d6k h ALA 54 N 2.93 1.01 -0.09 0.59 0.00 -1.87 -2.23 119.26 119.59 1d6k h ALA 54 Ca -0.40 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.49 1d6k h ALA 54 Cb 1.21 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1d6k h ALA 54 CO 0.56 0.06 0.17 0.93 0.00 0.00 0.00 179.25 180.97 1d6k h GLU 55 N 0.00 0.00 0.00 0.00 5.08 -1.93 -0.39 114.58 117.35 1d6k h GLU 55 Ca -0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1d6k h GLU 55 Cb 0.60 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.86 1d6k h GLU 55 CO 0.01 0.00 -0.52 0.35 -1.00 0.00 0.00 179.01 177.85 1d6k h PHE 56 N 0.00 0.51 0.00 4.33 3.04 -1.60 -1.66 116.94 121.56 1d6k h PHE 56 Ca 0.04 -0.28 -0.25 0.00 3.98 0.00 0.00 57.97 61.46 1d6k h PHE 56 Cb 0.39 -0.06 -0.04 0.00 2.56 0.00 0.00 35.95 38.80 1d6k h PHE 56 CO 0.00 1.10 -1.43 0.10 -2.02 0.00 0.00 178.31 176.06 1d6k h TYR 57 N -0.22 0.00 0.00 0.41 -0.00 -1.67 -3.36 116.97 112.13 1d6k h TYR 57 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.66 1d6k h TYR 57 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.97 1d6k h TYR 57 CO 0.16 0.96 -0.62 1.03 -0.00 0.00 0.00 178.16 179.69 1d6k h SER 58 N 0.00 0.00 -4.33 0.10 0.87 -1.20 -3.37 113.55 105.62 1d6k h SER 58 Ca -0.18 -0.05 -0.39 0.00 -1.23 0.00 0.00 61.79 59.94 1d6k h SER 58 Cb 1.89 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 63.60 1d6k h SER 58 CO 0.09 0.02 -0.77 -1.61 -0.53 0.00 0.00 176.83 174.03 1d6k s GLU 59 N -3.27 0.77 0.65 2.24 2.02 -0.62 -5.01 118.70 115.48 1d6k s GLU 59 Ca 0.03 -0.64 -0.17 0.00 0.02 0.00 0.00 54.97 54.21 1d6k s GLU 59 Cb 0.09 -0.72 -0.00 0.00 0.10 0.00 0.00 34.13 33.60 1d6k s GLU 59 CO 0.73 0.18 1.20 0.54 0.02 0.00 0.00 175.26 177.93 1d6k s VAL 60 N -0.81 2.55 0.20 2.63 0.11 -1.26 -4.40 120.40 119.42 1d6k s VAL 60 Ca -0.01 0.30 0.10 0.00 -2.93 0.00 0.00 61.98 59.45 1d6k s VAL 60 Cb -0.07 -2.98 -0.04 0.00 -1.53 0.00 0.00 36.38 31.75 1d6k s VAL 60 CO 0.01 -0.11 -0.15 -0.76 -3.33 0.00 0.00 175.10 170.76 1d6k s LEU 61 N -4.58 2.76 -0.70 2.54 1.43 0.49 -4.85 118.68 115.78 1d6k s LEU 61 Ca 0.75 -0.72 -0.05 0.00 -1.03 0.00 0.00 54.13 53.08 1d6k s LEU 61 Cb -0.29 -1.44 0.18 0.00 0.03 0.00 0.00 46.19 44.67 1d6k s LEU 61 CO 0.39 0.10 0.54 -0.89 0.23 0.00 0.00 176.35 176.72 1d6k s THR 62 N -1.80 4.14 -0.23 5.49 2.01 -1.26 -1.47 115.64 122.52 1d6k s THR 62 Ca 0.24 -3.00 -0.29 0.00 0.31 0.00 0.00 61.69 58.96 1d6k s THR 62 Cb -0.08 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1d6k s THR 62 CO 0.14 -0.93 1.82 -0.63 -0.69 0.00 0.00 174.62 174.32 1d6k s ILE 63 N -0.20 3.43 -1.02 1.82 1.09 0.28 -1.46 121.20 125.14 1d6k s ILE 63 Ca 0.19 0.47 -0.15 0.00 -1.10 0.00 0.00 60.65 60.06 1d6k s ILE 63 Cb -0.17 -3.49 0.19 0.00 -1.06 0.00 0.00 42.46 37.92 1d6k s ILE 63 CO -0.05 -0.25 1.14 -0.69 -0.10 0.00 0.00 174.94 174.98 1d6k s VAL 64 N 6.25 5.21 -0.73 2.92 1.01 -1.18 -0.41 120.40 133.47 1d6k s VAL 64 Ca 0.81 -2.37 -0.26 0.00 0.00 0.00 0.00 61.98 60.16 1d6k s VAL 64 Cb -0.27 -4.73 -0.02 0.00 0.00 0.00 0.00 36.38 31.36 1d6k s VAL 64 CO 0.33 -1.39 1.79 0.68 0.00 0.00 0.00 175.10 176.51 1d6k s VAL 65 N 1.19 3.46 -1.56 2.92 -7.23 0.58 -1.72 120.40 118.04 1d6k s VAL 65 Ca 0.32 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.52 1d6k s VAL 65 Cb -0.06 -4.14 0.00 0.00 0.56 0.00 0.00 36.38 32.74 1d6k s VAL 65 CO -0.06 -1.10 0.00 -0.67 -0.31 0.00 0.00 175.10 172.96 1d6k n ASP 66 N 12.43 -4.63 0.00 4.85 2.03 -0.42 -1.41 116.55 129.40 1d6k n ASP 66 Ca 0.24 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.78 1d6k n ASP 66 Cb 0.50 -4.02 0.00 0.00 -0.72 0.00 0.00 41.12 36.88 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 -0.64 0.77 3.66 0.27 0.00 -1.25 -5.10 105.19 102.91 1d6k n GLY 67 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.48 4.07 -0.41 1.61 1.02 -0.50 -5.03 119.74 120.03 1d6k s LYS 68 Ca 0.00 -0.28 -0.13 0.00 0.02 0.00 0.00 55.97 55.59 1d6k s LYS 68 Cb 0.00 -3.47 0.04 0.00 -0.52 0.00 0.00 37.83 33.88 1d6k s LYS 68 CO 0.00 0.12 0.27 -1.21 -0.92 0.00 0.00 175.35 173.61 1d6k s GLU 69 N 0.87 2.85 -0.17 1.68 2.02 -1.26 -0.31 118.70 124.39 1d6k s GLU 69 Ca 0.07 -1.17 -0.01 0.00 0.02 0.00 0.00 54.97 53.88 1d6k s GLU 69 Cb -0.13 -3.88 -0.01 0.00 0.10 0.00 0.00 34.13 30.22 1d6k s GLU 69 CO 0.03 -0.81 -0.11 0.42 0.02 0.00 0.00 175.26 174.81 1d6k s ILE 70 N 1.58 3.02 -0.26 -1.63 1.09 0.46 -4.95 121.20 120.51 1d6k s ILE 70 Ca 0.03 -0.64 -0.22 0.00 -1.10 0.00 0.00 60.65 58.71 1d6k s ILE 70 Cb -0.21 -2.31 -0.01 0.00 -1.06 0.00 0.00 42.46 38.88 1d6k s ILE 70 CO 0.07 0.49 0.73 -0.54 -0.10 0.00 0.00 174.94 175.59 1d6k s LYS 71 N 0.84 4.09 0.09 2.79 -0.14 -1.26 -0.56 119.74 125.59 1d6k s LYS 71 Ca -0.04 0.67 -0.11 0.00 -1.36 0.00 0.00 55.97 55.14 1d6k s LYS 71 Cb -0.15 -3.67 0.01 0.00 -1.68 0.00 0.00 37.83 32.34 1d6k s LYS 71 CO 0.00 -0.51 0.25 0.14 -0.76 0.00 0.00 175.35 174.47 1d6k s VAL 72 N 2.71 0.12 -0.05 3.17 -7.23 -0.55 -1.62 120.40 116.96 1d6k s VAL 72 Ca 0.30 -0.98 0.03 0.00 -1.81 0.00 0.00 61.98 59.52 1d6k s VAL 72 Cb -0.15 -1.26 0.01 0.00 0.56 0.00 0.00 36.38 35.54 1d6k s VAL 72 CO 0.09 -0.54 -0.13 -0.54 -0.31 0.00 0.00 175.10 173.67 1d6k s LYS 73 N -3.72 1.50 0.40 4.82 1.02 -0.71 -0.38 119.74 122.67 1d6k s LYS 73 Ca 0.03 -0.43 -0.26 0.00 0.02 0.00 0.00 55.97 55.33 1d6k s LYS 73 Cb 0.04 -1.29 -0.09 0.00 -0.52 0.00 0.00 37.83 35.97 1d6k s LYS 73 CO -0.11 0.11 1.27 0.00 -0.92 0.00 0.00 175.35 175.71 1d6k s ALA 74 N 0.35 3.24 0.00 5.17 0.00 -1.26 -0.59 121.76 128.67 1d6k s ALA 74 Ca -0.08 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1d6k s ALA 74 Cb -0.12 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1d6k s ALA 74 CO 0.02 -0.76 0.00 0.94 0.00 0.00 0.00 175.76 175.96 1d6k n GLN 75 N 0.13 0.33 -3.38 0.00 -0.06 -1.18 -4.78 117.38 108.44 1d6k n GLN 75 Ca 0.04 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 54.85 1d6k n GLN 75 Cb 0.44 -0.76 -0.08 0.00 -4.06 0.00 0.00 30.24 25.78 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 -3.29 1.51 0.22 1.69 2.15 -1.26 -5.04 116.67 112.64 1d6k s ASP 76 Ca 0.00 -1.68 -0.29 0.00 0.43 0.00 0.00 52.55 51.01 1d6k s ASP 76 Cb 0.00 0.38 -0.09 0.00 -0.30 0.00 0.00 42.92 42.91 1d6k s ASP 76 CO 0.00 -0.27 0.90 0.68 -0.17 0.00 0.00 175.17 176.31 1d6k s VAL 77 N 1.38 4.16 -0.26 1.11 -7.23 -1.26 -1.92 120.40 116.37 1d6k s VAL 77 Ca 0.17 1.99 -0.00 0.00 -1.81 0.00 0.00 61.98 62.33 1d6k s VAL 77 Cb -0.17 -4.28 0.04 0.00 0.56 0.00 0.00 36.38 32.53 1d6k s VAL 77 CO -0.03 0.50 -0.06 -1.10 -0.31 0.00 0.00 175.10 174.10 1d6k s GLN 78 N -1.12 2.56 0.77 4.82 -0.21 0.68 -4.98 119.66 122.18 1d6k s GLN 78 Ca 0.40 -1.16 -0.11 0.00 0.02 0.00 0.00 55.36 54.51 1d6k s GLN 78 Cb -0.25 -3.00 0.05 0.00 1.00 0.00 0.00 33.01 30.82 1d6k s GLN 78 CO 0.30 -0.50 1.09 1.03 -2.12 0.00 0.00 175.29 175.09 1d6k s ARG 79 N 1.24 2.30 0.81 2.91 1.81 -1.26 -0.48 118.95 126.29 1d6k s ARG 79 Ca -0.04 0.74 -0.11 0.00 -1.72 0.00 0.00 55.73 54.60 1d6k s ARG 79 Cb -0.18 -1.94 0.08 0.00 -0.45 0.00 0.00 34.95 32.47 1d6k s ARG 79 CO -0.04 -1.49 1.12 -1.01 -0.68 0.00 0.00 175.30 173.20 1d6k s HIS 80 N -3.12 2.19 -1.07 -0.53 3.76 -0.15 -4.24 115.29 112.14 1d6k s HIS 80 Ca 0.60 1.65 0.29 0.00 -0.15 0.00 0.00 55.06 57.45 1d6k s HIS 80 Cb -0.14 -3.19 1.25 0.00 1.11 0.00 0.00 32.58 31.60 1d6k s HIS 80 CO 0.55 -2.21 1.92 -0.35 -0.85 0.00 0.00 174.74 173.79 1d6k n PRO 81 N -3.67 0.08 0.12 8.40 -0.04 -1.26 -4.62 135.00 134.00 1d6k n PRO 81 Ca 0.10 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1d6k n PRO 81 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.46 -2.58 -2.34 0.54 9.36 -1.26 -5.13 117.16 114.29 1d6k n TYR 82 Ca 0.08 0.60 -0.32 0.00 3.32 0.00 0.00 57.90 61.58 1d6k n TYR 82 Cb 0.32 1.47 -0.03 0.00 -0.63 0.00 0.00 39.34 40.48 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 3.83 -1.25 2.98 -2.85 -1.26 -4.96 119.74 114.23 1d6k s LYS 83 Ca 0.00 1.01 -0.19 0.00 -1.00 0.00 0.00 55.97 55.79 1d6k s LYS 83 Cb 0.00 -2.12 0.00 0.00 -2.06 0.00 0.00 37.83 33.66 1d6k s LYS 83 CO 0.00 -0.37 1.90 -0.35 0.10 0.00 0.00 175.35 176.63 1d6k n PRO 84 N -1.65 2.60 -1.71 1.78 -0.04 -1.26 -4.30 135.00 130.42 1d6k n PRO 84 Ca 0.07 -2.81 0.00 0.00 -0.04 0.00 0.00 63.50 60.72 1d6k n PRO 84 Cb 0.54 -3.44 0.00 0.00 -0.04 0.00 0.00 33.50 30.55 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 7.74 0.30 -4.27 0.54 4.76 -1.26 -5.01 118.16 120.97 1d6k n LYS 85 Ca 0.49 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.73 1d6k n LYS 85 Cb 0.44 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.52 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 2.38 -0.08 -0.35 1.43 -1.26 -0.98 118.68 119.82 1d6k s LEU 86 Ca 0.00 -0.78 0.08 0.00 -1.03 0.00 0.00 54.13 52.39 1d6k s LEU 86 Cb 0.00 -0.68 -0.11 0.00 0.03 0.00 0.00 46.19 45.44 1d6k s LEU 86 CO 0.00 -0.07 0.03 0.00 0.23 0.00 0.00 176.35 176.53 1d6k n GLN 87 N 0.64 2.58 -3.61 1.70 1.13 0.37 -4.54 117.38 115.65 1d6k n GLN 87 Ca -0.16 -0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 54.85 1d6k n GLN 87 Cb 0.56 -1.22 -0.03 0.00 0.11 0.00 0.00 30.24 29.67 1d6k n GLN 87 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1d6k s HIS 88 N -2.21 -0.12 0.01 1.08 5.04 -1.21 -4.69 115.29 113.19 1d6k s HIS 88 Ca -0.04 0.11 -0.07 0.00 -1.54 0.00 0.00 55.06 53.51 1d6k s HIS 88 Cb 0.03 0.51 0.00 0.00 0.04 0.00 0.00 32.58 33.15 1d6k s HIS 88 CO 0.35 -0.17 0.14 0.42 -2.34 0.00 0.00 174.74 173.14 1d6k s ILE 89 N -2.06 0.09 0.30 0.89 1.01 -1.24 -0.23 121.20 119.95 1d6k s ILE 89 Ca 0.09 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 60.09 1d6k s ILE 89 Cb -0.01 -0.46 -0.06 0.00 0.01 0.00 0.00 42.46 41.94 1d6k s ILE 89 CO -0.04 -0.39 -0.03 1.51 0.00 0.00 0.00 174.94 175.98 1d6k s ASP 90 N -1.43 2.85 0.05 3.58 1.47 -0.81 -2.38 116.67 120.00 1d6k s ASP 90 Ca -0.14 -1.24 -0.00 0.00 1.18 0.00 0.00 52.55 52.35 1d6k s ASP 90 Cb -0.07 -0.18 -0.03 0.00 -0.34 0.00 0.00 42.92 42.29 1d6k s ASP 90 CO 0.01 -0.39 -0.04 -0.36 0.68 0.00 0.00 175.17 175.07 1d6k s PHE 91 N -3.01 0.50 0.10 2.11 0.40 -0.47 -3.08 117.98 114.53 1d6k s PHE 91 Ca 0.31 -0.82 0.07 0.00 -0.60 0.00 0.00 56.93 55.89 1d6k s PHE 91 Cb 0.05 -0.34 -0.04 0.00 0.51 0.00 0.00 43.02 43.20 1d6k s PHE 91 CO 0.13 -0.26 -0.08 0.14 0.70 0.00 0.00 175.22 175.85 1d6k s VAL 92 N -2.85 3.49 -0.72 -0.44 -7.23 0.24 -1.48 120.40 111.42 1d6k s VAL 92 Ca -0.01 -1.20 -0.25 0.00 -1.81 0.00 0.00 61.98 58.70 1d6k s VAL 92 Cb 0.00 -2.64 -0.14 0.00 0.56 0.00 0.00 36.38 34.17 1d6k s VAL 92 CO -0.05 0.12 2.41 0.54 -0.31 0.00 0.00 175.10 177.81 1d6k n ARG 93 N 0.70 0.65 0.00 4.82 5.12 -0.32 -1.73 116.66 125.90 1d6k n ARG 93 Ca -0.13 -0.50 0.08 0.00 -1.93 0.00 0.00 57.85 55.37 1d6k n ARG 93 Cb 0.52 -3.35 0.47 0.00 -1.16 0.00 0.00 32.46 28.94 1d6k n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70