#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 -2.07 3.17 3.72 -1.26 -4.12 117.46 116.91 1d6k n PHE 2 Ca 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.38 1d6k n PHE 2 Cb 0.00 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 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 0.00 -9.33 -3.50 4.37 -1.04 -1.26 -4.96 114.28 98.55 1d6k n THR 3 Ca 0.00 1.88 -0.41 0.00 -2.04 0.00 0.00 64.05 63.48 1d6k n THR 3 Cb 0.00 -5.28 -0.04 0.00 -1.82 0.00 0.00 70.33 63.20 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 -0.41 5.05 -0.08 12.58 -1.09 0.03 -4.90 121.20 132.39 1d6k s ILE 4 Ca -0.12 -3.48 -0.29 0.00 -2.23 0.00 0.00 60.65 54.53 1d6k s ILE 4 Cb 0.01 -4.09 -0.07 0.00 -1.58 0.00 0.00 42.46 36.72 1d6k s ILE 4 CO 0.32 -1.10 2.10 0.20 -1.23 0.00 0.00 174.94 175.22 1d6k s ASN 5 N 0.71 5.97 0.00 3.58 0.02 -1.26 -3.19 114.94 120.77 1d6k s ASN 5 Ca 0.27 2.31 0.00 0.00 -1.02 0.00 0.00 52.86 54.42 1d6k s ASN 5 Cb -0.10 -2.52 0.00 0.00 0.02 0.00 0.00 41.25 38.65 1d6k s ASN 5 CO -0.10 -1.49 0.00 0.00 0.02 0.00 0.00 177.10 175.53 1d6k n ALA 6 N 9.53 0.00 -3.60 0.60 0.00 -0.53 -4.41 120.51 122.11 1d6k n ALA 6 Ca 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.55 1d6k n ALA 6 Cb 0.43 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.81 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 0.44 0.80 0.40 0.00 -1.05 -0.35 -1.51 118.70 117.43 1d6k s GLU 7 Ca 0.00 0.96 -0.27 0.00 -0.15 0.00 0.00 54.97 55.52 1d6k s GLU 7 Cb 0.00 0.38 -0.09 0.00 -0.44 0.00 0.00 34.13 33.98 1d6k s GLU 7 CO 0.00 -0.10 1.38 0.14 0.95 0.00 0.00 175.26 177.64 1d6k s VAL 8 N 0.40 2.33 -0.00 1.83 -7.23 -1.26 -0.23 120.40 116.24 1d6k s VAL 8 Ca -0.00 0.31 -0.08 0.00 -1.81 0.00 0.00 61.98 60.40 1d6k s VAL 8 Cb -0.05 -3.19 0.00 0.00 0.56 0.00 0.00 36.38 33.71 1d6k s VAL 8 CO 0.00 0.05 0.14 0.00 -0.31 0.00 0.00 175.10 174.99 1d6k s ARG 9 N -2.22 0.48 0.00 4.82 1.04 -0.32 -4.78 118.95 117.97 1d6k s ARG 9 Ca 0.56 -0.37 0.00 0.00 -1.04 0.00 0.00 55.73 54.88 1d6k s ARG 9 Cb -0.42 0.20 0.00 0.00 -2.04 0.00 0.00 34.95 32.69 1d6k s ARG 9 CO 0.55 -0.11 0.09 1.63 -0.04 0.00 0.00 175.30 177.42 1d6k n LYS 10 N 1.50 1.57 0.00 3.89 4.76 -1.26 -4.27 118.16 124.35 1d6k n LYS 10 Ca -0.22 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.12 1d6k n LYS 10 Cb 0.56 -0.43 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 -0.25 0.50 -0.26 1.97 0.00 -1.26 -4.58 120.64 116.75 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 0.06 -1.14 0.62 0.00 0.00 0.00 0.00 31.44 30.98 1d6k n GLU 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.13 176.57 1d6k h GLN 12 N 0.28 0.20 0.00 3.44 -0.00 -1.96 0.24 115.11 117.31 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 0.14 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 27.57 1d6k h GLN 12 CO 0.00 0.13 0.11 0.41 -0.00 0.00 0.00 178.83 179.48 1d6k n GLY 13 N -1.61 -0.09 0.00 0.06 0.00 -1.26 -4.48 105.19 97.82 1d6k n GLY 13 Ca 0.22 0.00 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 -0.91 0.00 -0.14 1.61 4.76 -1.23 -5.01 118.16 117.24 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 0.11 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.33 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 0.61 0.96 0.72 0.00 -1.77 -1.74 103.07 101.85 1d6k h GLY 15 Ca 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 1d6k h GLY 15 CO 0.00 0.10 0.12 0.00 0.00 0.00 0.00 176.54 176.76 1d6k h ALA 16 N 1.24 0.62 0.00 3.60 0.00 -1.21 -3.17 119.26 120.34 1d6k h ALA 16 Ca 0.19 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1d6k h ALA 16 Cb 0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1d6k h ALA 16 CO -0.14 0.30 -0.01 1.03 0.00 0.00 0.00 179.25 180.42 1d6k h SER 17 N 0.63 0.00 0.12 0.00 0.87 -1.55 -0.72 113.55 112.89 1d6k h SER 17 Ca 0.15 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.42 1d6k h SER 17 Cb 0.31 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1d6k h SER 17 CO 0.00 0.01 -1.46 0.08 -0.53 0.00 0.00 176.83 174.93 1d6k h ARG 18 N 0.00 0.24 -0.49 2.24 -0.00 -1.50 -3.18 114.38 111.69 1d6k h ARG 18 Ca -0.00 -0.42 -0.03 0.00 -0.00 0.00 0.00 59.98 59.53 1d6k h ARG 18 Cb 0.03 0.16 -0.02 0.00 -0.00 0.00 0.00 29.97 30.13 1d6k h ARG 18 CO 0.00 1.20 0.19 0.07 -0.00 0.00 0.00 179.97 181.43 1d6k h ARG 19 N -0.28 0.70 0.42 0.08 0.11 -1.32 -0.10 114.38 113.99 1d6k h ARG 19 Ca -0.32 -0.10 -0.02 0.00 0.10 0.00 0.00 59.98 59.64 1d6k h ARG 19 Cb 1.78 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 32.74 1d6k h ARG 19 CO 0.06 0.58 -0.20 -0.07 0.10 0.00 0.00 179.97 180.43 1d6k h LEU 20 N 0.69 -0.48 -1.91 0.08 4.07 -1.31 -2.22 115.31 114.23 1d6k h LEU 20 Ca 0.17 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1d6k h LEU 20 Cb 0.14 0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.01 1d6k h LEU 20 CO -0.02 -0.05 0.00 0.08 -1.08 0.00 0.00 178.44 177.38 1d6k h ARG 21 N -1.11 0.00 0.00 1.13 0.11 -1.52 -0.13 114.38 112.86 1d6k h ARG 21 Ca -0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.02 1d6k h ARG 21 Cb 0.49 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.57 1d6k h ARG 21 CO 0.10 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.17 1d6k h ALA 22 N 2.04 1.00 0.00 0.08 0.00 -0.86 -3.29 119.26 118.23 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 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1d6k h ALA 22 CO 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 179.25 179.22 1d6k n ALA 23 N -1.94 2.22 -0.88 0.00 0.00 -0.18 -4.98 120.51 114.75 1d6k n ALA 23 Ca 0.03 -2.40 0.00 0.00 0.00 0.00 0.00 53.44 51.07 1d6k n ALA 23 Cb 0.37 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.28 -3.09 -4.42 0.00 3.02 -0.81 -4.99 115.26 103.70 1d6k n ASN 24 Ca 0.14 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.41 1d6k n ASN 24 Cb 0.61 -2.16 0.15 0.00 -0.61 0.00 0.00 39.78 37.77 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 -1.07 1.18 0.00 3.52 1.02 -0.48 -2.93 119.74 120.98 1d6k s LYS 25 Ca 0.00 -0.61 -0.29 0.00 0.02 0.00 0.00 55.97 55.09 1d6k s LYS 25 Cb 0.00 -2.04 0.07 0.00 -0.52 0.00 0.00 37.83 35.34 1d6k s LYS 25 CO 0.00 -1.95 0.65 -0.59 -0.92 0.00 0.00 175.35 172.54 1d6k s PHE 26 N -3.57 -0.61 0.63 3.18 -0.71 -0.78 -3.19 117.98 112.93 1d6k s PHE 26 Ca 0.70 0.91 -0.15 0.00 -1.04 0.00 0.00 56.93 57.35 1d6k s PHE 26 Cb -0.05 0.43 -0.02 0.00 -1.21 0.00 0.00 43.02 42.17 1d6k s PHE 26 CO 0.49 -0.66 1.07 -1.25 -1.34 0.00 0.00 175.22 173.53 1d6k s PRO 27 N -1.82 3.11 0.34 1.99 0.04 -1.26 -3.28 135.00 134.12 1d6k s PRO 27 Ca -0.08 1.21 0.07 0.00 0.04 0.00 0.00 61.00 62.24 1d6k s PRO 27 Cb -0.00 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1d6k s PRO 27 CO 0.04 -0.98 0.30 0.00 0.04 0.00 0.00 177.00 176.40 1d6k s ALA 28 N -2.53 1.84 0.05 8.56 0.00 -0.68 -3.92 121.76 125.07 1d6k s ALA 28 Ca 0.63 -2.07 -0.00 0.00 0.00 0.00 0.00 51.96 50.52 1d6k s ALA 28 Cb -0.17 1.47 -0.03 0.00 0.00 0.00 0.00 23.12 24.39 1d6k s ALA 28 CO 0.41 -0.68 -0.04 -1.50 0.00 0.00 0.00 175.76 173.95 1d6k s ILE 29 N -3.36 0.30 -0.49 0.00 1.10 -1.07 -2.45 121.20 115.22 1d6k s ILE 29 Ca 0.40 -1.56 0.03 0.00 -0.51 0.00 0.00 60.65 59.02 1d6k s ILE 29 Cb 0.02 -1.17 0.14 0.00 0.15 0.00 0.00 42.46 41.60 1d6k s ILE 29 CO 0.28 -0.81 0.28 -0.63 -2.11 0.00 0.00 174.94 171.95 1d6k s ILE 30 N -3.08 1.87 0.49 2.00 1.01 -0.37 -1.33 121.20 121.81 1d6k s ILE 30 Ca 0.01 -2.99 0.08 0.00 0.00 0.00 0.00 60.65 57.76 1d6k s ILE 30 Cb 0.02 -2.29 0.04 0.00 0.01 0.00 0.00 42.46 40.23 1d6k s ILE 30 CO -0.06 -0.90 0.62 -0.72 0.00 0.00 0.00 174.94 173.88 1d6k s TYR 31 N -0.06 2.11 0.00 3.97 -0.85 -0.11 -1.28 117.35 121.13 1d6k s TYR 31 Ca 0.19 -0.59 0.00 0.00 -0.52 0.00 0.00 57.07 56.15 1d6k s TYR 31 Cb -0.21 -2.24 0.00 0.00 0.38 0.00 0.00 41.96 39.89 1d6k s TYR 31 CO -0.03 -0.69 0.00 0.41 -1.52 0.00 0.00 175.55 173.72 1d6k n GLY 32 N -1.97 2.53 2.51 5.49 0.00 -1.26 -0.34 105.19 112.16 1d6k n GLY 32 Ca 0.10 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 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 3.20 1.63 -0.02 0.00 -1.26 -3.15 105.19 105.59 1d6k n GLY 33 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 3.92 0.00 0.00 1.61 4.01 -1.26 -4.86 118.16 121.58 1d6k n LYS 34 Ca 0.48 0.00 0.03 0.00 -0.51 0.00 0.00 58.31 58.31 1d6k n LYS 34 Cb 0.20 -0.12 -0.01 0.00 -0.51 0.00 0.00 35.03 34.59 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 -2.39 3.27 -1.13 1.97 1.02 -1.19 -5.12 120.64 117.07 1d6k n GLU 35 Ca 0.00 -0.31 0.02 0.00 -0.02 0.00 0.00 57.16 56.86 1d6k n GLU 35 Cb 0.04 -0.91 -0.01 0.00 -0.02 0.00 0.00 31.44 30.53 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 -0.63 -1.80 -1.29 0.62 0.00 -1.19 -5.03 120.51 111.19 1d6k n ALA 36 Ca 0.02 0.42 -0.30 0.00 0.00 0.00 0.00 53.44 53.58 1d6k n ALA 36 Cb 0.13 -1.20 0.22 0.00 0.00 0.00 0.00 19.45 18.60 1d6k n ALA 36 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1d6k s PRO 37 N -4.83 -0.61 -0.28 0.00 0.02 -1.26 -4.87 135.00 123.17 1d6k s PRO 37 Ca 0.00 -0.08 -0.01 0.00 0.02 0.00 0.00 61.00 60.92 1d6k s PRO 37 Cb 0.00 -1.67 0.13 0.00 0.02 0.00 0.00 34.50 32.98 1d6k s PRO 37 CO 0.00 -3.30 0.28 -1.17 -0.33 0.00 0.00 177.00 172.48 1d6k s LEU 38 N -6.64 -0.21 0.19 -5.54 2.96 -0.40 -4.94 118.68 104.10 1d6k s LEU 38 Ca 0.71 -0.68 -0.30 0.00 -0.22 0.00 0.00 54.13 53.64 1d6k s LEU 38 Cb -0.09 0.48 -0.08 0.00 0.50 0.00 0.00 46.19 47.00 1d6k s LEU 38 CO 0.55 -0.38 1.20 0.00 -1.32 0.00 0.00 176.35 176.40 1d6k s ALA 39 N 2.35 3.44 -0.02 5.97 0.00 -1.26 -1.23 121.76 131.01 1d6k s ALA 39 Ca 0.09 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1d6k s ALA 39 Cb -0.14 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.58 1d6k s ALA 39 CO -0.30 -0.37 0.00 0.96 0.00 0.00 0.00 175.76 176.05 1d6k s ILE 40 N -0.12 0.12 -0.26 0.00 -0.00 -1.03 -1.17 121.20 118.74 1d6k s ILE 40 Ca 0.52 0.07 -0.27 0.00 -0.00 0.00 0.00 60.65 60.98 1d6k s ILE 40 Cb -0.33 -0.20 0.01 0.00 -0.00 0.00 0.00 42.46 41.94 1d6k s ILE 40 CO 0.37 0.11 0.94 -0.70 -0.00 0.00 0.00 174.94 175.66 1d6k s GLU 41 N 0.74 4.15 0.18 0.37 2.12 0.68 -1.69 118.70 125.25 1d6k s GLU 41 Ca -0.07 1.05 0.00 0.00 0.36 0.00 0.00 54.97 56.31 1d6k s GLU 41 Cb -0.10 -3.67 -0.04 0.00 0.26 0.00 0.00 34.13 30.57 1d6k s GLU 41 CO -0.02 -0.66 0.05 -0.48 -0.54 0.00 0.00 175.26 173.62 1d6k s LEU 42 N 3.14 1.81 0.08 2.70 2.34 -1.20 -1.21 118.68 126.33 1d6k s LEU 42 Ca 0.40 -1.25 -0.30 0.00 0.06 0.00 0.00 54.13 53.04 1d6k s LEU 42 Cb -0.14 0.12 -0.06 0.00 -0.56 0.00 0.00 46.19 45.55 1d6k s LEU 42 CO 0.09 -0.68 1.10 -0.62 -1.06 0.00 0.00 176.35 175.18 1d6k s ASP 43 N -3.16 7.23 0.06 1.48 -1.08 -1.26 -1.86 116.67 118.09 1d6k s ASP 43 Ca 0.28 1.94 -0.23 0.00 -0.52 0.00 0.00 52.55 54.02 1d6k s ASP 43 Cb 0.07 -2.58 -0.15 0.00 -1.46 0.00 0.00 42.92 38.80 1d6k s ASP 43 CO 0.06 -0.32 1.61 -0.74 0.52 0.00 0.00 175.17 176.30 1d6k h HIS 44 N 6.23 0.06 -0.55 -5.34 -0.00 -1.82 -2.24 115.15 111.50 1d6k h HIS 44 Ca -0.42 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 59.91 1d6k h HIS 44 Cb 1.21 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 28.58 1d6k h HIS 44 CO 0.66 0.18 0.21 0.22 -0.00 0.00 0.00 177.93 179.20 1d6k h ASP 45 N -0.08 0.73 0.00 3.26 3.58 -1.93 0.17 116.42 122.15 1d6k h ASP 45 Ca 0.01 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.37 1d6k h ASP 45 Cb 0.14 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1d6k h ASP 45 CO -0.00 0.66 0.00 1.17 -2.88 0.00 0.00 179.24 178.19 1d6k n LYS 46 N -4.33 0.00 0.25 0.28 4.81 -1.22 -3.27 118.16 114.69 1d6k n LYS 46 Ca 0.04 0.30 0.15 0.00 -0.87 0.00 0.00 58.31 57.93 1d6k n LYS 46 Cb 0.17 -1.29 0.83 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 0.60 0.03 3.15 3.04 -1.20 -0.83 116.25 121.05 1d6k h VAL 47 Ca 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.71 1d6k h VAL 47 Cb 0.00 0.94 -0.05 0.00 -2.01 0.00 0.00 31.29 30.18 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 -0.61 -0.10 4.17 1.85 -0.75 0.75 114.93 120.25 1d6k h MET 48 Ca 0.03 0.04 0.03 0.00 -0.61 0.00 0.00 59.70 59.19 1d6k h MET 48 Cb 0.18 0.14 -0.00 0.00 0.43 0.00 0.00 31.60 32.34 1d6k h MET 48 CO -0.00 -0.40 0.15 -0.97 -0.40 0.00 0.00 176.91 175.29 1d6k h ASN 49 N -0.63 0.00 0.00 1.39 -1.24 -1.13 -2.22 115.58 111.75 1d6k h ASN 49 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1d6k h ASN 49 Cb 0.66 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.71 1d6k h ASN 49 CO -0.30 0.00 -0.01 0.24 -1.29 0.00 0.00 177.43 176.07 1d6k h MET 50 N 0.00 0.00 0.00 6.67 2.86 -0.83 -3.32 114.93 120.30 1d6k h MET 50 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 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 -2.36 0.03 0.00 1.72 -0.00 0.07 -1.69 117.38 115.15 1d6k n GLN 51 Ca -0.00 0.32 0.09 0.00 -0.00 0.00 0.00 57.00 57.41 1d6k n GLN 51 Cb 0.00 -1.50 0.46 0.00 -0.00 0.00 0.00 30.24 29.21 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 -1.35 2.01 -2.37 2.61 0.00 -0.84 -4.69 120.51 115.89 1d6k n ALA 52 Ca 0.01 -0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.17 1d6k n ALA 52 Cb 0.02 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.09 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 -2.40 1.32 0.45 0.00 0.00 -0.68 -5.05 119.74 113.38 1d6k s LYS 53 Ca 0.20 -1.56 0.25 0.00 0.00 0.00 0.00 55.97 54.86 1d6k s LYS 53 Cb 0.12 -1.15 0.87 0.00 0.00 0.00 0.00 37.83 37.66 1d6k s LYS 53 CO 0.25 0.20 1.80 0.00 0.00 0.00 0.00 175.35 177.59 1d6k h ALA 54 N 2.67 0.98 -0.03 0.59 0.00 -1.87 -2.52 119.26 119.09 1d6k h ALA 54 Ca -0.39 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.36 1d6k h ALA 54 Cb 1.22 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1d6k h ALA 54 CO 0.60 0.24 0.15 0.93 0.00 0.00 0.00 179.25 181.17 1d6k h GLU 55 N 0.00 0.00 0.08 0.00 5.08 -1.93 -1.33 114.58 116.48 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 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1d6k h GLU 55 CO 0.02 0.00 -0.04 0.35 -1.00 0.00 0.00 179.01 178.35 1d6k h PHE 56 N 0.00 -0.10 0.00 4.33 3.04 -1.65 -1.42 116.94 121.14 1d6k h PHE 56 Ca 0.01 -0.00 -0.20 0.00 3.98 0.00 0.00 57.97 61.76 1d6k h PHE 56 Cb 0.31 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.83 1d6k h PHE 56 CO 0.00 0.40 -1.03 0.10 -2.02 0.00 0.00 178.31 175.77 1d6k h TYR 57 N -0.68 0.00 0.00 0.41 -0.00 -1.66 -3.32 116.97 111.71 1d6k h TYR 57 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.65 1d6k h TYR 57 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.27 1d6k h TYR 57 CO 0.10 0.90 -0.76 1.03 -0.00 0.00 0.00 178.16 179.43 1d6k h SER 58 N 0.00 0.00 -3.40 0.10 0.87 -1.37 -3.37 113.55 106.38 1d6k h SER 58 Ca -0.05 0.00 -0.44 0.00 -1.23 0.00 0.00 61.79 60.07 1d6k h SER 58 Cb 1.73 0.00 -0.35 0.00 -0.44 0.00 0.00 62.40 63.35 1d6k h SER 58 CO 0.11 0.29 -0.78 -1.61 -0.53 0.00 0.00 176.83 174.31 1d6k s GLU 59 N -3.11 1.04 0.46 2.24 2.02 -0.53 -5.03 118.70 115.79 1d6k s GLU 59 Ca 0.02 -0.15 -0.23 0.00 0.02 0.00 0.00 54.97 54.63 1d6k s GLU 59 Cb 0.08 -1.03 -0.10 0.00 0.10 0.00 0.00 34.13 33.18 1d6k s GLU 59 CO 0.76 -0.10 0.91 1.55 0.02 0.00 0.00 175.26 178.39 1d6k n VAL 60 N 4.22 2.55 -4.28 2.63 3.14 -1.26 -4.40 118.33 120.94 1d6k n VAL 60 Ca -0.21 -0.50 -0.25 0.00 -2.96 0.00 0.00 64.34 60.42 1d6k n VAL 60 Cb 0.51 -1.04 -0.08 0.00 -1.06 0.00 0.00 33.84 32.17 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 -0.39 3.15 -0.45 6.55 1.43 0.74 -4.90 118.68 124.81 1d6k s LEU 61 Ca 0.66 -0.57 -0.06 0.00 -1.03 0.00 0.00 54.13 53.13 1d6k s LEU 61 Cb -0.53 -1.75 0.12 0.00 0.03 0.00 0.00 46.19 44.06 1d6k s LEU 61 CO 0.55 0.05 0.28 -0.89 0.23 0.00 0.00 176.35 176.57 1d6k s THR 62 N -2.00 3.72 -0.38 5.49 2.01 -1.26 -1.68 115.64 121.55 1d6k s THR 62 Ca 0.28 -1.98 -0.29 0.00 0.31 0.00 0.00 61.69 60.02 1d6k s THR 62 Cb -0.08 -3.50 0.01 0.00 0.01 0.00 0.00 72.50 68.94 1d6k s THR 62 CO 0.18 -0.74 1.41 -0.63 -0.69 0.00 0.00 174.62 174.15 1d6k s ILE 63 N 1.18 3.93 -1.04 1.82 -1.09 0.12 -0.79 121.20 125.34 1d6k s ILE 63 Ca 0.08 0.98 -0.14 0.00 -2.23 0.00 0.00 60.65 59.34 1d6k s ILE 63 Cb -0.24 -4.16 0.20 0.00 -1.58 0.00 0.00 42.46 36.68 1d6k s ILE 63 CO -0.03 -0.67 1.14 -0.69 -1.23 0.00 0.00 174.94 173.46 1d6k s VAL 64 N 5.23 5.33 -0.69 2.92 1.01 -1.19 -0.45 120.40 132.56 1d6k s VAL 64 Ca 0.61 -2.55 -0.27 0.00 0.00 0.00 0.00 61.98 59.78 1d6k s VAL 64 Cb -0.15 -4.71 0.01 0.00 0.00 0.00 0.00 36.38 31.53 1d6k s VAL 64 CO 0.30 -1.36 1.54 0.68 0.00 0.00 0.00 175.10 176.26 1d6k s VAL 65 N 0.83 3.56 -1.42 2.92 -7.23 0.55 -1.45 120.40 118.16 1d6k s VAL 65 Ca 0.32 0.31 -0.00 0.00 -1.81 0.00 0.00 61.98 60.80 1d6k s VAL 65 Cb -0.07 -4.49 0.00 0.00 0.56 0.00 0.00 36.38 32.39 1d6k s VAL 65 CO -0.06 -1.44 0.03 -0.67 -0.31 0.00 0.00 175.10 172.65 1d6k n ASP 66 N 10.87 -4.93 0.00 4.85 2.03 -0.57 -1.20 116.55 127.61 1d6k n ASP 66 Ca 0.11 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.49 1d6k n ASP 66 Cb 0.50 -4.13 0.00 0.00 -0.72 0.00 0.00 41.12 36.77 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 -0.94 0.48 3.60 0.27 0.00 -1.25 -5.07 105.19 102.29 1d6k n GLY 67 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.95 3.95 -0.41 1.61 1.02 -0.34 -5.03 119.74 119.59 1d6k s LYS 68 Ca 0.00 -0.34 -0.12 0.00 0.02 0.00 0.00 55.97 55.53 1d6k s LYS 68 Cb 0.00 -3.41 0.05 0.00 -0.52 0.00 0.00 37.83 33.95 1d6k s LYS 68 CO 0.00 0.05 0.27 -1.21 -0.92 0.00 0.00 175.35 173.54 1d6k s GLU 69 N 1.03 2.80 -0.13 1.68 2.02 -1.26 -0.33 118.70 124.51 1d6k s GLU 69 Ca 0.06 -1.26 -0.01 0.00 0.02 0.00 0.00 54.97 53.78 1d6k s GLU 69 Cb -0.14 -3.85 -0.02 0.00 0.10 0.00 0.00 34.13 30.22 1d6k s GLU 69 CO 0.04 -0.86 -0.10 0.42 0.02 0.00 0.00 175.26 174.78 1d6k s ILE 70 N 1.54 3.35 -0.09 -1.63 1.09 0.40 -4.91 121.20 120.96 1d6k s ILE 70 Ca 0.03 -0.56 -0.25 0.00 -1.10 0.00 0.00 60.65 58.77 1d6k s ILE 70 Cb -0.21 -2.42 -0.03 0.00 -1.06 0.00 0.00 42.46 38.73 1d6k s ILE 70 CO 0.05 0.52 0.80 -0.54 -0.10 0.00 0.00 174.94 175.67 1d6k s LYS 71 N 0.26 4.42 0.19 2.79 -0.14 -1.26 0.12 119.74 126.11 1d6k s LYS 71 Ca -0.07 1.03 -0.16 0.00 -1.36 0.00 0.00 55.97 55.41 1d6k s LYS 71 Cb -0.15 -3.49 0.02 0.00 -1.68 0.00 0.00 37.83 32.53 1d6k s LYS 71 CO 0.04 -0.09 0.48 0.14 -0.76 0.00 0.00 175.35 175.17 1d6k s VAL 72 N 1.28 0.04 -0.12 3.17 -7.23 -0.67 -1.68 120.40 115.19 1d6k s VAL 72 Ca 0.41 -0.87 -0.10 0.00 -1.81 0.00 0.00 61.98 59.61 1d6k s VAL 72 Cb -0.18 -1.60 0.03 0.00 0.56 0.00 0.00 36.38 35.20 1d6k s VAL 72 CO 0.18 -0.16 0.31 -1.59 -0.31 0.00 0.00 175.10 173.53 1d6k s LYS 73 N -3.88 0.34 0.77 4.82 -2.85 -0.88 -0.19 119.74 117.87 1d6k s LYS 73 Ca 0.10 0.48 -0.14 0.00 -1.00 0.00 0.00 55.97 55.40 1d6k s LYS 73 Cb -0.00 0.12 0.06 0.00 -2.06 0.00 0.00 37.83 35.95 1d6k s LYS 73 CO -0.03 -0.07 1.23 0.00 0.10 0.00 0.00 175.35 176.58 1d6k s ALA 74 N 0.43 1.95 0.00 0.59 0.00 -1.26 -0.45 121.76 123.01 1d6k s ALA 74 Ca -0.02 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1d6k s ALA 74 Cb -0.04 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1d6k s ALA 74 CO -0.02 -2.16 0.00 1.04 0.00 0.00 0.00 175.76 174.62 1d6k n GLN 75 N -3.00 1.09 -3.36 0.00 1.13 -1.17 -4.74 117.38 107.32 1d6k n GLN 75 Ca 0.14 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 55.04 1d6k n GLN 75 Cb 0.50 -0.75 -0.08 0.00 0.11 0.00 0.00 30.24 30.02 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 -2.69 1.16 0.16 1.08 2.15 -1.26 -5.05 116.67 112.22 1d6k s ASP 76 Ca 0.00 -1.27 -0.24 0.00 0.43 0.00 0.00 52.55 51.46 1d6k s ASP 76 Cb 0.00 0.62 -0.08 0.00 -0.30 0.00 0.00 42.92 43.17 1d6k s ASP 76 CO 0.00 -0.30 0.75 0.68 -0.17 0.00 0.00 175.17 176.14 1d6k s VAL 77 N 1.75 4.41 -0.26 1.11 -7.23 -1.26 -1.94 120.40 116.97 1d6k s VAL 77 Ca 0.15 1.63 0.02 0.00 -1.81 0.00 0.00 61.98 61.97 1d6k s VAL 77 Cb -0.14 -4.10 0.05 0.00 0.56 0.00 0.00 36.38 32.75 1d6k s VAL 77 CO -0.13 0.51 -0.10 -1.10 -0.31 0.00 0.00 175.10 173.98 1d6k s GLN 78 N -1.19 2.33 0.77 4.82 -0.21 0.74 -4.98 119.66 121.94 1d6k s GLN 78 Ca 0.35 -1.29 -0.12 0.00 0.02 0.00 0.00 55.36 54.33 1d6k s GLN 78 Cb -0.22 -2.92 0.05 0.00 1.00 0.00 0.00 33.01 30.92 1d6k s GLN 78 CO 0.25 -0.55 1.10 1.03 -2.12 0.00 0.00 175.29 175.01 1d6k s ARG 79 N 1.14 2.34 0.82 2.91 1.81 -1.26 -0.60 118.95 126.11 1d6k s ARG 79 Ca -0.07 0.52 -0.13 0.00 -1.72 0.00 0.00 55.73 54.32 1d6k s ARG 79 Cb -0.19 -1.96 0.09 0.00 -0.45 0.00 0.00 34.95 32.44 1d6k s ARG 79 CO -0.05 -1.41 1.20 -1.01 -0.68 0.00 0.00 175.30 173.35 1d6k s HIS 80 N -3.27 1.76 -0.64 -0.53 3.76 -0.03 -4.38 115.29 111.95 1d6k s HIS 80 Ca 0.60 1.69 0.25 0.00 -0.15 0.00 0.00 55.06 57.45 1d6k s HIS 80 Cb -0.13 -3.48 0.64 0.00 1.11 0.00 0.00 32.58 30.72 1d6k s HIS 80 CO 0.53 -2.89 1.68 -1.00 -0.85 0.00 0.00 174.74 172.21 1d6k h PRO 81 N -1.00 0.00 0.00 8.40 0.13 -1.96 -3.35 132.00 134.21 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 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1d6k h PRO 81 CO 0.46 0.00 0.00 0.98 -0.23 0.00 0.00 178.00 179.21 1d6k n TYR 82 N -2.46 0.00 -4.19 1.56 9.36 -1.26 -5.12 117.16 115.05 1d6k n TYR 82 Ca 0.05 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.14 1d6k n TYR 82 Cb 0.46 0.04 -0.10 0.00 -0.63 0.00 0.00 39.34 39.11 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 0.90 0.00 2.98 3.01 -1.26 -5.05 119.74 120.33 1d6k s LYS 83 Ca 0.00 -1.32 0.00 0.00 -1.01 0.00 0.00 55.97 53.64 1d6k s LYS 83 Cb 0.00 -0.41 0.00 0.00 -1.01 0.00 0.00 37.83 36.41 1d6k s LYS 83 CO 0.00 0.03 0.52 -0.35 0.51 0.00 0.00 175.35 176.07 1d6k n PRO 84 N 0.07 0.75 -0.34 -1.68 -0.04 -1.26 -3.76 135.00 128.75 1d6k n PRO 84 Ca -0.13 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.31 1d6k n PRO 84 Cb 0.60 -1.23 0.01 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.12 0.10 -4.48 0.54 4.01 -1.26 -4.84 118.16 112.11 1d6k n LYS 85 Ca 0.00 -0.18 -0.25 0.00 -0.51 0.00 0.00 58.31 57.37 1d6k n LYS 85 Cb 0.11 -0.09 -0.10 0.00 -0.51 0.00 0.00 35.03 34.44 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 2.77 0.00 -0.35 1.43 -1.26 -0.85 118.68 120.41 1d6k s LEU 86 Ca 0.06 -1.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.05 1d6k s LEU 86 Cb -0.00 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 45.11 1d6k s LEU 86 CO 0.04 -0.15 0.00 0.00 0.23 0.00 0.00 176.35 176.47 1d6k n GLN 87 N -0.79 1.34 -3.56 1.70 6.02 0.23 -4.40 117.38 117.92 1d6k n GLN 87 Ca -0.05 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.87 1d6k n GLN 87 Cb 0.62 -0.85 -0.03 0.00 1.02 0.00 0.00 30.24 31.01 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 -1.70 -0.24 -0.01 1.08 5.04 -1.19 -4.67 115.29 113.61 1d6k s HIS 88 Ca 0.00 0.22 -0.08 0.00 -1.54 0.00 0.00 55.06 53.66 1d6k s HIS 88 Cb 0.00 0.51 0.01 0.00 0.04 0.00 0.00 32.58 33.14 1d6k s HIS 88 CO 0.00 -0.33 0.17 0.42 -2.34 0.00 0.00 174.74 172.66 1d6k s ILE 89 N -2.31 0.07 0.23 0.89 1.01 -1.25 -0.18 121.20 119.66 1d6k s ILE 89 Ca 0.06 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.20 1d6k s ILE 89 Cb -0.01 -0.45 -0.05 0.00 0.01 0.00 0.00 42.46 41.97 1d6k s ILE 89 CO -0.05 -0.32 -0.14 1.51 0.00 0.00 0.00 174.94 175.94 1d6k s ASP 90 N -1.23 2.77 0.01 3.58 1.47 -0.82 -2.60 116.67 119.85 1d6k s ASP 90 Ca -0.13 -1.05 0.02 0.00 1.18 0.00 0.00 52.55 52.56 1d6k s ASP 90 Cb -0.07 -0.17 -0.01 0.00 -0.34 0.00 0.00 42.92 42.34 1d6k s ASP 90 CO 0.02 -0.17 -0.05 -0.36 0.68 0.00 0.00 175.17 175.29 1d6k s PHE 91 N -2.91 0.47 0.21 2.11 0.08 -0.44 -3.06 117.98 114.46 1d6k s PHE 91 Ca 0.25 -0.19 -0.11 0.00 0.12 0.00 0.00 56.93 57.00 1d6k s PHE 91 Cb -0.01 -0.30 -0.07 0.00 -0.57 0.00 0.00 43.02 42.07 1d6k s PHE 91 CO 0.09 -0.03 0.56 0.14 -0.10 0.00 0.00 175.22 175.88 1d6k s VAL 92 N -0.44 4.89 -0.70 -0.44 -7.23 0.40 -0.93 120.40 115.95 1d6k s VAL 92 Ca -0.01 0.61 -0.25 0.00 -1.81 0.00 0.00 61.98 60.51 1d6k s VAL 92 Cb -0.04 -3.65 -0.13 0.00 0.56 0.00 0.00 36.38 33.12 1d6k s VAL 92 CO -0.00 0.01 2.42 0.54 -0.31 0.00 0.00 175.10 177.75 1d6k n ARG 93 N 0.11 0.68 0.00 4.82 5.12 0.54 -2.08 116.66 125.84 1d6k n ARG 93 Ca -0.01 -0.42 0.13 0.00 -1.93 0.00 0.00 57.85 55.61 1d6k n ARG 93 Cb 0.52 -3.31 0.75 0.00 -1.16 0.00 0.00 32.46 29.27 1d6k n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70