#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 -0.00 -4.97 1.12 0.04 -1.97 -3.50 116.94 107.66 1d6k h PHE 2 Ca 0.00 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.78 1d6k h PHE 2 Cb 0.00 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.06 1d6k h PHE 2 CO 0.00 -0.00 -1.36 2.41 -0.60 0.00 0.00 178.31 178.76 1d6k n THR 3 N -2.01-12.39 -3.45 -1.55 -1.04 -1.26 -4.94 114.28 87.63 1d6k n THR 3 Ca -0.00 2.75 -0.42 0.00 -2.04 0.00 0.00 64.05 64.34 1d6k n THR 3 Cb 0.00 -6.19 -0.03 0.00 -1.82 0.00 0.00 70.33 62.29 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 -0.61 5.28 -0.29 12.58 -1.09 -0.19 -4.87 121.20 132.00 1d6k s ILE 4 Ca -0.20 -3.35 -0.27 0.00 -2.23 0.00 0.00 60.65 54.59 1d6k s ILE 4 Cb 0.01 -4.23 -0.05 0.00 -1.58 0.00 0.00 42.46 36.61 1d6k s ILE 4 CO 0.54 -1.11 2.27 0.20 -1.23 0.00 0.00 174.94 175.61 1d6k s ASN 5 N 0.99 5.18 0.00 3.58 -0.87 -1.26 -3.12 114.94 119.44 1d6k s ASN 5 Ca 0.26 1.66 0.00 0.00 -1.57 0.00 0.00 52.86 53.22 1d6k s ASN 5 Cb -0.10 -2.51 0.00 0.00 -0.02 0.00 0.00 41.25 38.62 1d6k s ASN 5 CO -0.09 -2.21 0.00 0.00 -2.57 0.00 0.00 177.10 172.23 1d6k n ALA 6 N 12.82 0.00 -3.32 0.60 0.00 -1.01 -4.49 120.51 125.10 1d6k n ALA 6 Ca 0.32 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.62 1d6k n ALA 6 Cb 0.48 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 1.20 0.59 0.45 0.00 -1.05 -0.46 -2.68 118.70 116.74 1d6k s GLU 7 Ca 0.00 0.40 -0.24 0.00 -0.15 0.00 0.00 54.97 54.98 1d6k s GLU 7 Cb 0.00 0.28 -0.08 0.00 -0.44 0.00 0.00 34.13 33.89 1d6k s GLU 7 CO 0.00 -0.11 1.29 0.14 0.95 0.00 0.00 175.26 177.53 1d6k s VAL 8 N -0.22 2.61 0.06 1.83 -7.23 -1.26 -0.18 120.40 116.00 1d6k s VAL 8 Ca -0.04 0.50 0.00 0.00 -1.81 0.00 0.00 61.98 60.64 1d6k s VAL 8 Cb -0.03 -3.28 -0.04 0.00 0.56 0.00 0.00 36.38 33.59 1d6k s VAL 8 CO 0.02 0.04 -0.05 0.00 -0.31 0.00 0.00 175.10 174.80 1d6k s ARG 9 N -2.49 0.63 0.00 4.82 1.70 -0.23 -4.74 118.95 118.64 1d6k s ARG 9 Ca 0.62 -1.12 0.00 0.00 -0.47 0.00 0.00 55.73 54.75 1d6k s ARG 9 Cb -0.36 0.00 0.00 0.00 -0.57 0.00 0.00 34.95 34.02 1d6k s ARG 9 CO 0.46 -0.05 0.07 1.63 -1.08 0.00 0.00 175.30 176.32 1d6k n LYS 10 N 0.42 0.13 0.00 3.89 4.76 -1.26 -4.18 118.16 121.92 1d6k n LYS 10 Ca -0.16 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.22 1d6k n LYS 10 Cb 0.59 -0.47 0.00 0.00 -1.84 0.00 0.00 35.03 33.31 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 -0.04 0.52 -0.22 1.97 0.00 -1.26 -4.56 120.64 117.05 1d6k n GLU 11 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 57.16 57.43 1d6k n GLU 11 Cb 0.16 -1.08 0.66 0.00 0.00 0.00 0.00 31.44 31.18 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 0.15 0.12 0.00 3.44 -0.00 -1.95 0.30 115.11 117.16 1d6k h GLN 12 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1d6k h GLN 12 Cb 0.08 -0.03 0.00 0.00 -0.00 0.00 0.00 27.48 27.54 1d6k h GLN 12 CO 0.00 0.08 0.03 0.41 -0.00 0.00 0.00 178.83 179.35 1d6k n GLY 13 N -1.66 -0.04 0.00 0.06 0.00 -1.26 -4.42 105.19 97.87 1d6k n GLY 13 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.85 0.00 -0.16 1.61 4.76 -1.23 -5.01 118.16 117.27 1d6k n LYS 14 Ca 0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 1d6k n LYS 14 Cb 0.03 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.25 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 0.15 0.82 0.72 0.00 -1.76 -1.79 103.07 101.21 1d6k h GLY 15 Ca 0.00 0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.53 1d6k h GLY 15 CO 0.00 -0.21 -0.18 0.00 0.00 0.00 0.00 176.54 176.14 1d6k h ALA 16 N 1.25 0.29 -0.15 3.60 0.00 -1.20 -3.12 119.26 119.92 1d6k h ALA 16 Ca 0.23 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1d6k h ALA 16 Cb 0.47 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1d6k h ALA 16 CO -0.57 0.20 0.11 0.77 0.00 0.00 0.00 179.25 179.77 1d6k h SER 17 N 0.14 0.00 0.18 0.00 0.02 -1.56 -0.77 113.55 111.56 1d6k h SER 17 Ca 0.03 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.63 1d6k h SER 17 Cb 0.72 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.27 1d6k h SER 17 CO 0.05 0.00 -1.78 0.08 -1.14 0.00 0.00 176.83 174.04 1d6k h ARG 18 N 0.00 0.37 -0.28 3.45 -0.00 -1.51 -3.19 114.38 113.24 1d6k h ARG 18 Ca 0.07 -0.64 -0.09 0.00 -0.00 0.00 0.00 59.98 59.32 1d6k h ARG 18 Cb 0.29 0.24 -0.01 0.00 -0.00 0.00 0.00 29.97 30.49 1d6k h ARG 18 CO -0.00 1.31 -0.20 0.07 -0.00 0.00 0.00 179.97 181.14 1d6k h ARG 19 N 0.09 0.50 0.62 0.08 0.11 -1.21 0.11 114.38 114.68 1d6k h ARG 19 Ca -0.36 -0.17 -0.03 0.00 0.10 0.00 0.00 59.98 59.52 1d6k h ARG 19 Cb 2.08 -0.04 0.01 0.00 1.11 0.00 0.00 29.97 33.13 1d6k h ARG 19 CO 0.16 0.68 -0.30 -0.07 0.10 0.00 0.00 179.97 180.55 1d6k h LEU 20 N 0.45 -0.71 -2.63 0.08 4.07 -1.34 -2.16 115.31 113.07 1d6k h LEU 20 Ca 0.07 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 1d6k h LEU 20 Cb 0.61 0.18 -0.00 0.00 1.08 0.00 0.00 40.66 42.53 1d6k h LEU 20 CO 0.04 -0.35 -0.01 0.08 -1.08 0.00 0.00 178.44 177.13 1d6k h ARG 21 N -1.16 0.00 0.00 1.13 -0.00 -1.50 -0.90 114.38 111.95 1d6k h ARG 21 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.89 1d6k h ARG 21 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.61 1d6k h ARG 21 CO 0.14 0.01 0.00 0.00 -0.00 0.00 0.00 179.97 180.12 1d6k h ALA 22 N 1.99 1.00 0.00 0.08 0.00 -0.50 -3.32 119.26 118.51 1d6k h ALA 22 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1d6k h ALA 22 Cb 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1d6k h ALA 22 CO 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 179.25 178.63 1d6k n ALA 23 N -1.85 0.51 0.00 0.00 0.00 -0.49 -5.01 120.51 113.67 1d6k n ALA 23 Ca 0.04 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1d6k n ALA 23 Cb 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 -4.59 0.00 -4.46 0.00 2.04 -0.70 -5.12 115.26 102.43 1d6k n ASN 24 Ca -0.10 0.00 -0.29 0.00 -0.44 0.00 0.00 54.58 53.75 1d6k n ASN 24 Cb 0.32 0.00 0.14 0.00 -2.53 0.00 0.00 39.78 37.71 1d6k n ASN 24 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1d6k s LYS 25 N 0.00 1.22 -0.03 -3.83 -0.14 -0.46 -3.33 119.74 113.17 1d6k s LYS 25 Ca 0.00 -0.30 -0.29 0.00 -1.36 0.00 0.00 55.97 54.02 1d6k s LYS 25 Cb 0.00 -1.94 0.09 0.00 -1.68 0.00 0.00 37.83 34.30 1d6k s LYS 25 CO 0.00 -2.01 0.79 -0.59 -0.76 0.00 0.00 175.35 172.78 1d6k s PHE 26 N -3.69 -0.50 0.70 3.18 -0.71 -0.50 -2.80 117.98 113.66 1d6k s PHE 26 Ca 0.69 0.68 -0.11 0.00 -1.04 0.00 0.00 56.93 57.15 1d6k s PHE 26 Cb -0.07 0.47 0.01 0.00 -1.21 0.00 0.00 43.02 42.23 1d6k s PHE 26 CO 0.51 -0.57 1.07 -1.25 -1.34 0.00 0.00 175.22 173.64 1d6k s PRO 27 N -1.99 2.90 0.35 1.99 0.04 -1.26 -3.20 135.00 133.83 1d6k s PRO 27 Ca -0.03 0.72 0.03 0.00 0.04 0.00 0.00 61.00 61.75 1d6k s PRO 27 Cb -0.00 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1d6k s PRO 27 CO 0.00 -1.06 0.40 0.00 0.04 0.00 0.00 177.00 176.38 1d6k s ALA 28 N -3.18 1.34 0.09 8.56 0.00 -0.75 -3.73 121.76 124.08 1d6k s ALA 28 Ca 0.58 -1.82 0.02 0.00 0.00 0.00 0.00 51.96 50.74 1d6k s ALA 28 Cb -0.13 1.30 -0.04 0.00 0.00 0.00 0.00 23.12 24.26 1d6k s ALA 28 CO 0.54 -0.74 -0.07 -1.50 0.00 0.00 0.00 175.76 173.99 1d6k s ILE 29 N -3.10 0.69 -0.40 0.00 1.10 -0.94 -2.61 121.20 115.94 1d6k s ILE 29 Ca 0.35 -1.73 0.02 0.00 -0.51 0.00 0.00 60.65 58.78 1d6k s ILE 29 Cb 0.00 -1.43 0.12 0.00 0.15 0.00 0.00 42.46 41.30 1d6k s ILE 29 CO 0.25 -0.74 0.18 -0.63 -2.11 0.00 0.00 174.94 171.89 1d6k s ILE 30 N -3.04 1.52 0.22 2.00 1.01 -0.22 -1.44 121.20 121.24 1d6k s ILE 30 Ca 0.07 -2.30 0.01 0.00 0.00 0.00 0.00 60.65 58.43 1d6k s ILE 30 Cb 0.01 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.40 1d6k s ILE 30 CO -0.03 -0.78 0.04 0.00 0.00 0.00 0.00 174.94 174.17 1d6k n TYR 31 N 3.95 0.06 -2.18 3.97 0.18 0.03 -0.72 117.16 122.45 1d6k n TYR 31 Ca 0.05 -1.02 -0.04 0.00 1.88 0.00 0.00 57.90 58.76 1d6k n TYR 31 Cb 0.37 -0.15 0.00 0.00 -0.38 0.00 0.00 39.34 39.18 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 2.41 0.29 0.00 -7.48 0.00 -1.26 -0.70 105.19 98.45 1d6k n GLY 32 Ca -0.07 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.97 1.25 0.00 -0.02 0.00 -1.26 -4.45 105.19 99.74 1d6k n GLY 33 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.97 118.16 116.54 1d6k n LYS 34 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.43 1d6k n LYS 34 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 35.03 35.28 1d6k n LYS 34 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1d6k n GLU 35 N 0.00 1.03 0.00 1.64 0.28 -1.26 -5.06 120.64 117.27 1d6k n GLU 35 Ca 0.00 -0.71 0.00 0.00 -0.16 0.00 0.00 57.16 56.29 1d6k n GLU 35 Cb 0.00 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.38 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 -0.37 0.00 -1.98 -1.84 0.00 -1.26 -5.14 120.51 109.92 1d6k n ALA 36 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1d6k n ALA 36 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 1.75 1.05 -3.39 0.00 -0.04 -1.26 -4.77 135.00 128.34 1d6k n PRO 37 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1d6k n PRO 37 Cb 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 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 -0.34 0.17 1.53 2.96 0.10 -4.96 118.68 118.14 1d6k s LEU 38 Ca 0.00 -0.51 -0.30 0.00 -0.22 0.00 0.00 54.13 53.10 1d6k s LEU 38 Cb 0.00 0.64 -0.08 0.00 0.50 0.00 0.00 46.19 47.25 1d6k s LEU 38 CO 0.00 -0.36 1.21 0.00 -1.32 0.00 0.00 176.35 175.87 1d6k s ALA 39 N 2.40 3.44 0.00 5.97 0.00 -1.26 -1.06 121.76 131.26 1d6k s ALA 39 Ca 0.09 0.95 0.04 0.00 0.00 0.00 0.00 51.96 53.05 1d6k s ALA 39 Cb -0.14 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 1d6k s ALA 39 CO -0.27 -0.39 -0.12 0.96 0.00 0.00 0.00 175.76 175.93 1d6k s ILE 40 N 0.10 0.94 -0.37 0.00 -0.00 -1.07 -1.07 121.20 119.72 1d6k s ILE 40 Ca 0.54 -0.60 -0.21 0.00 -0.00 0.00 0.00 60.65 60.39 1d6k s ILE 40 Cb -0.33 -0.80 0.01 0.00 -0.00 0.00 0.00 42.46 41.34 1d6k s ILE 40 CO 0.36 0.19 0.64 -0.70 -0.00 0.00 0.00 174.94 175.43 1d6k s GLU 41 N -0.46 3.60 0.23 0.37 2.12 0.74 -1.81 118.70 123.50 1d6k s GLU 41 Ca 0.04 -0.02 0.03 0.00 0.36 0.00 0.00 54.97 55.38 1d6k s GLU 41 Cb -0.05 -3.84 -0.05 0.00 0.26 0.00 0.00 34.13 30.45 1d6k s GLU 41 CO -0.00 -0.79 0.00 -0.48 -0.54 0.00 0.00 175.26 173.45 1d6k s LEU 42 N 2.74 2.17 0.16 2.70 2.34 -1.20 -1.35 118.68 126.24 1d6k s LEU 42 Ca 0.24 -1.23 -0.30 0.00 0.06 0.00 0.00 54.13 52.90 1d6k s LEU 42 Cb -0.14 -0.26 -0.07 0.00 -0.56 0.00 0.00 46.19 45.16 1d6k s LEU 42 CO 0.16 -0.53 1.03 -0.62 -1.06 0.00 0.00 176.35 175.33 1d6k s ASP 43 N -3.31 7.40 -0.02 1.48 2.15 -1.26 -1.41 116.67 121.69 1d6k s ASP 43 Ca 0.29 1.96 -0.24 0.00 0.43 0.00 0.00 52.55 54.98 1d6k s ASP 43 Cb 0.06 -2.60 -0.18 0.00 -0.30 0.00 0.00 42.92 39.90 1d6k s ASP 43 CO 0.09 -0.12 1.14 -0.74 -0.17 0.00 0.00 175.17 175.37 1d6k h HIS 44 N 5.19 -0.15 -0.26 -5.34 -0.00 -1.84 -2.62 115.15 110.14 1d6k h HIS 44 Ca -0.44 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.93 1d6k h HIS 44 Cb 1.21 0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 28.66 1d6k h HIS 44 CO 0.63 0.29 0.17 0.22 -0.00 0.00 0.00 177.93 179.24 1d6k h ASP 45 N -0.66 0.30 0.00 3.26 3.58 -1.94 0.17 116.42 121.12 1d6k h ASP 45 Ca -0.02 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1d6k h ASP 45 Cb 0.51 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1d6k h ASP 45 CO 0.03 0.22 0.00 1.17 -2.88 0.00 0.00 179.24 177.78 1d6k n LYS 46 N -4.50 0.00 0.30 0.28 4.81 -1.25 -3.20 118.16 114.61 1d6k n LYS 46 Ca 0.01 0.15 0.16 0.00 -0.87 0.00 0.00 58.31 57.76 1d6k n LYS 46 Cb 0.07 -1.12 0.95 0.00 0.02 0.00 0.00 35.03 34.96 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 0.44 0.04 3.15 3.04 -1.04 0.14 116.25 122.01 1d6k h VAL 47 Ca 0.00 -0.05 0.01 0.00 -1.01 0.00 0.00 66.70 65.64 1d6k h VAL 47 Cb 0.00 1.04 -0.03 0.00 -2.01 0.00 0.00 31.29 30.29 1d6k h VAL 47 CO 0.00 0.01 -0.30 -0.03 -1.01 0.00 0.00 177.57 176.24 1d6k h MET 48 N 0.00 -0.40 0.00 4.17 1.85 -0.80 0.14 114.93 119.90 1d6k h MET 48 Ca -0.00 0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.12 1d6k h MET 48 Cb 0.04 0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.16 1d6k h MET 48 CO 0.00 -0.26 0.17 -0.97 -0.40 0.00 0.00 176.91 175.45 1d6k h ASN 49 N -0.41 0.00 0.00 1.39 -1.24 -0.93 -1.21 115.58 113.18 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 0.42 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.47 1d6k h ASN 49 CO -0.18 0.00 -0.10 0.24 -1.29 0.00 0.00 177.43 176.10 1d6k h MET 50 N 0.00 0.00 0.00 6.67 2.86 -0.97 -3.34 114.93 120.15 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 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 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 -3.23 0.00 0.00 1.72 -0.00 0.37 -1.74 117.38 114.50 1d6k n GLN 51 Ca -0.01 0.43 0.11 0.00 -0.00 0.00 0.00 57.00 57.52 1d6k n GLN 51 Cb 0.05 -1.50 0.61 0.00 -0.00 0.00 0.00 30.24 29.40 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 -1.45 2.24 -2.41 2.61 0.00 -0.46 -4.64 120.51 116.40 1d6k n ALA 52 Ca 0.00 -0.12 -0.21 0.00 0.00 0.00 0.00 53.44 53.11 1d6k n ALA 52 Cb 0.01 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.01 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 -2.17 1.42 0.40 0.00 0.00 -0.71 -5.05 119.74 113.63 1d6k s LYS 53 Ca 0.29 -1.58 0.22 0.00 0.00 0.00 0.00 55.97 54.89 1d6k s LYS 53 Cb 0.15 -1.40 0.63 0.00 0.00 0.00 0.00 37.83 37.20 1d6k s LYS 53 CO 0.27 0.26 1.70 0.00 0.00 0.00 0.00 175.35 177.58 1d6k h ALA 54 N 2.72 0.92 0.00 0.59 0.00 -1.87 -2.84 119.26 118.78 1d6k h ALA 54 Ca -0.40 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1d6k h ALA 54 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1d6k h ALA 54 CO 0.57 0.33 0.12 0.93 0.00 0.00 0.00 179.25 181.21 1d6k h GLU 55 N 0.00 0.00 -0.01 0.00 5.08 -1.93 -0.76 114.58 116.96 1d6k h GLU 55 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1d6k h GLU 55 Cb 0.95 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.21 1d6k h GLU 55 CO 0.03 0.00 -0.34 0.35 -1.00 0.00 0.00 179.01 178.05 1d6k h PHE 56 N 0.00 0.37 0.00 4.33 3.04 -1.69 -1.54 116.94 121.44 1d6k h PHE 56 Ca 0.00 -0.19 -0.21 0.00 3.98 0.00 0.00 57.97 61.55 1d6k h PHE 56 Cb 0.24 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 38.67 1d6k h PHE 56 CO 0.00 0.98 -1.26 0.10 -2.02 0.00 0.00 178.31 176.12 1d6k h TYR 57 N -0.35 0.00 0.12 0.41 -0.00 -1.64 -3.33 116.97 112.17 1d6k h TYR 57 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 58.73 58.41 1d6k h TYR 57 Cb 1.07 0.00 0.02 0.00 0.00 0.00 0.00 36.73 37.82 1d6k h TYR 57 CO 0.16 0.82 -1.22 1.03 -0.00 0.00 0.00 178.16 178.95 1d6k h SER 58 N 0.00 0.68 -4.28 0.10 0.87 -1.28 -3.36 113.55 106.28 1d6k h SER 58 Ca -0.14 -0.65 -0.52 0.00 -1.23 0.00 0.00 61.79 59.25 1d6k h SER 58 Cb 1.74 -0.22 -0.23 0.00 -0.44 0.00 0.00 62.40 63.26 1d6k h SER 58 CO 0.08 1.48 -0.82 -1.61 -0.53 0.00 0.00 176.83 175.43 1d6k s GLU 59 N -2.90 1.10 0.62 2.24 2.02 -0.58 -5.04 118.70 116.16 1d6k s GLU 59 Ca -0.07 -1.01 -0.17 0.00 0.02 0.00 0.00 54.97 53.74 1d6k s GLU 59 Cb 0.06 -1.25 -0.02 0.00 0.10 0.00 0.00 34.13 33.02 1d6k s GLU 59 CO 0.91 0.30 1.17 0.54 0.02 0.00 0.00 175.26 178.19 1d6k s VAL 60 N -1.04 2.85 0.28 2.63 0.11 -1.26 -4.34 120.40 119.62 1d6k s VAL 60 Ca 0.04 0.47 0.10 0.00 -2.93 0.00 0.00 61.98 59.67 1d6k s VAL 60 Cb -0.09 -3.10 -0.05 0.00 -1.53 0.00 0.00 36.38 31.61 1d6k s VAL 60 CO 0.03 -0.16 -0.06 -0.76 -3.33 0.00 0.00 175.10 170.82 1d6k s LEU 61 N -4.38 2.98 -0.43 2.54 1.43 0.11 -4.84 118.68 116.09 1d6k s LEU 61 Ca 0.73 -0.82 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 1d6k s LEU 61 Cb -0.26 -1.47 0.12 0.00 0.03 0.00 0.00 46.19 44.60 1d6k s LEU 61 CO 0.36 -0.03 0.18 -0.89 0.23 0.00 0.00 176.35 176.20 1d6k s THR 62 N -2.41 2.68 -0.50 5.49 2.01 -1.26 -1.68 115.64 119.97 1d6k s THR 62 Ca 0.32 -2.66 -0.28 0.00 0.31 0.00 0.00 61.69 59.37 1d6k s THR 62 Cb -0.05 -2.89 0.03 0.00 0.01 0.00 0.00 72.50 69.60 1d6k s THR 62 CO 0.18 -0.70 1.12 -0.63 -0.69 0.00 0.00 174.62 173.90 1d6k s ILE 63 N 0.48 4.20 -1.12 1.82 1.01 0.74 -1.03 121.20 127.30 1d6k s ILE 63 Ca 0.13 1.06 -0.12 0.00 0.00 0.00 0.00 60.65 61.72 1d6k s ILE 63 Cb -0.22 -4.61 0.22 0.00 0.01 0.00 0.00 42.46 37.86 1d6k s ILE 63 CO -0.05 -1.07 1.23 -0.69 0.00 0.00 0.00 174.94 174.37 1d6k s VAL 64 N 4.46 5.45 -0.82 2.92 1.01 -1.18 -0.76 120.40 131.48 1d6k s VAL 64 Ca 0.45 -2.87 -0.25 0.00 0.00 0.00 0.00 61.98 59.30 1d6k s VAL 64 Cb -0.08 -4.75 0.00 0.00 0.00 0.00 0.00 36.38 31.56 1d6k s VAL 64 CO 0.30 -1.39 1.66 0.68 0.00 0.00 0.00 175.10 176.34 1d6k s VAL 65 N 0.39 3.60 -1.76 2.92 -7.23 -0.14 -2.42 120.40 115.76 1d6k s VAL 65 Ca 0.35 -0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.39 1d6k s VAL 65 Cb -0.06 -4.44 0.00 0.00 0.56 0.00 0.00 36.38 32.43 1d6k s VAL 65 CO -0.05 -1.38 0.00 -0.67 -0.31 0.00 0.00 175.10 172.70 1d6k n ASP 66 N 11.42 -5.02 0.00 4.85 2.03 -1.09 -1.48 116.55 127.25 1d6k n ASP 66 Ca 0.25 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.82 1d6k n ASP 66 Cb 0.50 -4.36 0.00 0.00 -0.72 0.00 0.00 41.12 36.54 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 -0.62 0.65 3.61 0.27 0.00 -1.25 -5.09 105.19 102.76 1d6k n GLY 67 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 1d6k n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1d6k s LYS 68 N -0.62 4.00 -0.51 1.61 2.20 -0.55 -5.02 119.74 120.85 1d6k s LYS 68 Ca 0.00 0.23 -0.16 0.00 -0.36 0.00 0.00 55.97 55.69 1d6k s LYS 68 Cb 0.00 -3.67 0.10 0.00 -1.51 0.00 0.00 37.83 32.75 1d6k s LYS 68 CO 0.00 -0.39 0.44 -1.21 -0.36 0.00 0.00 175.35 173.84 1d6k s GLU 69 N 2.31 2.97 -0.19 4.03 2.02 -1.26 -0.97 118.70 127.61 1d6k s GLU 69 Ca 0.20 -1.54 -0.06 0.00 0.02 0.00 0.00 54.97 53.59 1d6k s GLU 69 Cb -0.16 -4.21 -0.03 0.00 0.10 0.00 0.00 34.13 29.83 1d6k s GLU 69 CO 0.10 -1.18 0.04 0.42 0.02 0.00 0.00 175.26 174.65 1d6k s ILE 70 N 1.61 4.40 -0.18 -1.63 1.09 0.06 -4.87 121.20 121.67 1d6k s ILE 70 Ca 0.04 -0.17 -0.26 0.00 -1.10 0.00 0.00 60.65 59.16 1d6k s ILE 70 Cb -0.27 -2.99 -0.01 0.00 -1.06 0.00 0.00 42.46 38.13 1d6k s ILE 70 CO 0.05 0.43 0.87 -0.54 -0.10 0.00 0.00 174.94 175.65 1d6k s LYS 71 N 0.73 4.29 0.16 2.79 -0.14 -1.26 -0.18 119.74 126.12 1d6k s LYS 71 Ca 0.02 1.08 -0.16 0.00 -1.36 0.00 0.00 55.97 55.55 1d6k s LYS 71 Cb -0.14 -3.59 0.03 0.00 -1.68 0.00 0.00 37.83 32.46 1d6k s LYS 71 CO 0.02 -0.38 0.45 0.14 -0.76 0.00 0.00 175.35 174.81 1d6k s VAL 72 N 2.33 0.05 -0.09 3.17 -7.23 -0.68 -1.13 120.40 116.83 1d6k s VAL 72 Ca 0.39 -0.71 -0.07 0.00 -1.81 0.00 0.00 61.98 59.78 1d6k s VAL 72 Cb -0.16 -1.39 0.03 0.00 0.56 0.00 0.00 36.38 35.42 1d6k s VAL 72 CO 0.12 -0.22 0.23 -1.59 -0.31 0.00 0.00 175.10 173.33 1d6k s LYS 73 N -3.85 0.25 0.30 4.82 -2.85 -1.00 0.06 119.74 117.47 1d6k s LYS 73 Ca 0.07 0.37 -0.29 0.00 -1.00 0.00 0.00 55.97 55.12 1d6k s LYS 73 Cb 0.01 0.06 -0.10 0.00 -2.06 0.00 0.00 37.83 35.74 1d6k s LYS 73 CO -0.07 -0.07 1.29 0.00 0.10 0.00 0.00 175.35 176.60 1d6k s ALA 74 N 0.42 3.50 0.00 0.59 0.00 -1.25 -0.61 121.76 124.41 1d6k s ALA 74 Ca -0.02 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1d6k s ALA 74 Cb -0.04 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1d6k s ALA 74 CO -0.02 -0.57 0.00 1.04 0.00 0.00 0.00 175.76 176.21 1d6k n GLN 75 N 1.22 2.74 -3.65 0.00 3.00 -1.18 -4.68 117.38 114.84 1d6k n GLN 75 Ca 0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.96 1d6k n GLN 75 Cb 0.42 -0.78 -0.06 0.00 0.00 0.00 0.00 30.24 29.83 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 -1.52 -1.00 -0.04 1.08 2.15 -1.26 -5.06 116.67 111.02 1d6k s ASP 76 Ca 0.00 1.51 -0.02 0.00 0.43 0.00 0.00 52.55 54.47 1d6k s ASP 76 Cb 0.00 1.77 -0.04 0.00 -0.30 0.00 0.00 42.92 44.35 1d6k s ASP 76 CO 0.00 -0.23 0.08 0.68 -0.17 0.00 0.00 175.17 175.53 1d6k s VAL 77 N 2.21 4.85 -0.36 1.11 -7.23 -1.26 -1.08 120.40 118.64 1d6k s VAL 77 Ca -0.08 -0.25 0.04 0.00 -1.81 0.00 0.00 61.98 59.88 1d6k s VAL 77 Cb -0.08 -3.17 0.10 0.00 0.56 0.00 0.00 36.38 33.79 1d6k s VAL 77 CO -0.19 0.45 0.08 -1.58 -0.31 0.00 0.00 175.10 173.54 1d6k s GLN 78 N -1.46 1.48 0.70 4.82 0.74 0.19 -4.99 119.66 121.14 1d6k s GLN 78 Ca 0.20 -1.91 -0.11 0.00 0.05 0.00 0.00 55.36 53.59 1d6k s GLN 78 Cb -0.12 -3.14 0.01 0.00 1.10 0.00 0.00 33.01 30.86 1d6k s GLN 78 CO 0.10 -0.96 1.07 1.03 -0.55 0.00 0.00 175.29 175.98 1d6k s ARG 79 N 0.81 2.95 0.88 1.67 1.81 -1.26 -0.22 118.95 125.59 1d6k s ARG 79 Ca 0.12 0.73 -0.10 0.00 -1.72 0.00 0.00 55.73 54.75 1d6k s ARG 79 Cb -0.20 -2.01 0.13 0.00 -0.45 0.00 0.00 34.95 32.42 1d6k s ARG 79 CO -0.08 -1.03 1.15 -1.01 -0.68 0.00 0.00 175.30 173.64 1d6k s HIS 80 N -3.17 1.76 -0.18 -0.53 3.76 -0.16 -4.42 115.29 112.35 1d6k s HIS 80 Ca 0.58 1.75 0.17 0.00 -0.15 0.00 0.00 55.06 57.41 1d6k s HIS 80 Cb -0.13 -3.32 0.02 0.00 1.11 0.00 0.00 32.58 30.26 1d6k s HIS 80 CO 0.54 -2.68 1.21 -1.00 -0.85 0.00 0.00 174.74 171.96 1d6k h PRO 81 N -1.66 0.00 0.00 8.40 0.13 -1.97 -3.39 132.00 133.51 1d6k h PRO 81 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1d6k h PRO 81 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1d6k h PRO 81 CO 0.43 0.33 -0.04 0.98 -0.23 0.00 0.00 178.00 179.47 1d6k n TYR 82 N -3.04 0.00 -4.20 1.56 9.36 -1.26 -5.11 117.16 114.47 1d6k n TYR 82 Ca -0.02 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.05 1d6k n TYR 82 Cb 0.73 0.06 -0.11 0.00 -0.63 0.00 0.00 39.34 39.39 1d6k n TYR 82 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1d6k s LYS 83 N 0.00 0.91 0.00 2.98 3.01 -1.26 -5.05 119.74 120.33 1d6k s LYS 83 Ca 0.00 -1.20 -0.05 0.00 -1.01 0.00 0.00 55.97 53.71 1d6k s LYS 83 Cb 0.00 -0.65 -0.23 0.00 -1.01 0.00 0.00 37.83 35.94 1d6k s LYS 83 CO 0.00 0.11 3.27 -0.35 0.51 0.00 0.00 175.35 178.89 1d6k n PRO 84 N 0.50 1.77 -3.80 -1.68 -0.04 -1.26 -4.23 135.00 126.27 1d6k n PRO 84 Ca -0.15 -0.85 -0.23 0.00 -0.04 0.00 0.00 63.50 62.23 1d6k n PRO 84 Cb 0.58 -1.88 -0.04 0.00 -0.04 0.00 0.00 33.50 32.11 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 2.45 1.08 -4.51 0.54 4.01 -1.26 -4.99 118.16 115.48 1d6k n LYS 85 Ca 0.36 -2.63 -0.24 0.00 -0.51 0.00 0.00 58.31 55.29 1d6k n LYS 85 Cb 0.82 0.64 -0.10 0.00 -0.51 0.00 0.00 35.03 35.87 1d6k n LYS 85 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1d6k s LEU 86 N 0.00 2.65 0.00 -0.35 1.43 -1.26 -0.98 118.68 120.17 1d6k s LEU 86 Ca 0.04 -1.20 0.00 0.00 -1.03 0.00 0.00 54.13 51.94 1d6k s LEU 86 Cb -0.00 -0.88 0.00 0.00 0.03 0.00 0.00 46.19 45.34 1d6k s LEU 86 CO 0.02 -0.25 0.00 0.00 0.23 0.00 0.00 176.35 176.35 1d6k n GLN 87 N -0.73 2.51 0.00 1.70 1.13 0.69 -4.36 117.38 118.33 1d6k n GLN 87 Ca -0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 1d6k n GLN 87 Cb 0.63 -0.84 0.00 0.00 0.11 0.00 0.00 30.24 30.15 1d6k n GLN 87 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1d6k n HIS 88 N -1.38 0.00 -3.77 1.08 -0.00 -1.16 -4.65 115.22 105.34 1d6k n HIS 88 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 1d6k n HIS 88 Cb 0.25 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.16 1d6k n HIS 88 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1d6k s ILE 89 N -2.00 0.06 0.20 3.57 1.01 -1.24 -0.64 121.20 122.16 1d6k s ILE 89 Ca 0.00 -0.49 0.11 0.00 0.00 0.00 0.00 60.65 60.27 1d6k s ILE 89 Cb 0.00 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 1d6k s ILE 89 CO 0.00 -0.27 -0.23 1.51 0.00 0.00 0.00 174.94 175.96 1d6k s ASP 90 N -1.29 3.33 0.06 3.58 1.47 -0.24 -2.23 116.67 121.36 1d6k s ASP 90 Ca -0.13 -0.89 0.05 0.00 1.18 0.00 0.00 52.55 52.76 1d6k s ASP 90 Cb -0.05 -0.24 -0.03 0.00 -0.34 0.00 0.00 42.92 42.25 1d6k s ASP 90 CO 0.04 0.09 -0.13 -0.36 0.68 0.00 0.00 175.17 175.48 1d6k s PHE 91 N -1.83 1.15 0.05 2.11 0.40 -0.52 -3.11 117.98 116.23 1d6k s PHE 91 Ca 0.21 -0.45 -0.01 0.00 -0.60 0.00 0.00 56.93 56.07 1d6k s PHE 91 Cb -0.07 -0.65 -0.04 0.00 0.51 0.00 0.00 43.02 42.76 1d6k s PHE 91 CO 0.10 0.04 0.23 0.14 0.70 0.00 0.00 175.22 176.42 1d6k s VAL 92 N -1.25 5.37 -0.72 -0.44 -7.23 0.22 -0.79 120.40 115.57 1d6k s VAL 92 Ca -0.03 -0.27 -0.25 0.00 -1.81 0.00 0.00 61.98 59.63 1d6k s VAL 92 Cb -0.10 -3.61 -0.13 0.00 0.56 0.00 0.00 36.38 33.10 1d6k s VAL 92 CO 0.02 0.18 2.41 0.54 -0.31 0.00 0.00 175.10 177.94 1d6k n ARG 93 N 0.44 0.66 0.00 4.82 5.12 0.12 -2.38 116.66 125.45 1d6k n ARG 93 Ca -0.06 -0.51 0.15 0.00 -1.93 0.00 0.00 57.85 55.50 1d6k n ARG 93 Cb 0.51 -3.40 0.79 0.00 -1.16 0.00 0.00 32.46 29.20 1d6k n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70