#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k6c n GLY 5 N 0.00 2.84 3.54 0.44 0.00 -1.26 -5.00 105.19 105.76 3k6c n GLY 5 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3k6c n GLY 5 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k6c s TYR 6 N -1.16 2.73 -0.89 1.61 2.02 -1.26 -4.83 117.35 115.57 3k6c s TYR 6 Ca 0.00 0.15 0.22 0.00 -0.37 0.00 0.00 57.07 57.07 3k6c s TYR 6 Cb 0.00 -4.22 -0.15 0.00 -0.40 0.00 0.00 41.96 37.19 3k6c s TYR 6 CO 0.00 -1.42 0.92 1.19 -1.57 0.00 0.00 175.55 174.67 3k6c n PHE 7 N 7.79 0.02 -4.96 2.71 3.01 -1.26 -4.86 117.46 119.91 3k6c n PHE 7 Ca 0.04 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.21 3k6c n PHE 7 Cb 0.48 -0.10 -0.15 0.00 -0.01 0.00 0.00 39.48 39.70 3k6c n PHE 7 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3k6c s GLU 8 N -3.06 1.81 0.13 -1.08 0.41 -1.26 -5.09 118.70 110.56 3k6c s GLU 8 Ca 0.07 -1.06 -0.35 0.00 -0.41 0.00 0.00 54.97 53.22 3k6c s GLU 8 Cb 0.16 -1.94 -0.16 0.00 -1.78 0.00 0.00 34.13 30.41 3k6c s GLU 8 CO 0.85 0.51 1.36 -0.35 -0.49 0.00 0.00 175.26 177.14 3k6c n PRO 9 N 1.91 1.42 -0.31 0.39 -0.04 -1.26 -4.84 135.00 132.28 3k6c n PRO 9 Ca -0.17 0.51 0.10 0.00 -0.04 0.00 0.00 63.50 63.90 3k6c n PRO 9 Cb 0.52 -2.15 0.26 0.00 -0.04 0.00 0.00 33.50 32.08 3k6c n PRO 9 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3k6c h THR 10 N 3.24 0.67 0.00 0.52 1.35 -1.96 -1.00 112.91 115.73 3k6c h THR 10 Ca -0.46 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 3k6c h THR 10 Cb 1.32 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 3k6c h THR 10 CO 0.78 0.11 0.00 0.00 -0.25 0.00 0.00 175.52 176.16 3k6c n GLN 11 N -4.89 0.07 -0.12 4.72 0.00 -1.26 -0.78 117.38 115.12 3k6c n GLN 11 Ca 0.19 0.45 0.12 0.00 0.00 0.00 0.00 57.00 57.76 3k6c n GLN 11 Cb 0.51 -1.68 0.17 0.00 0.00 0.00 0.00 30.24 29.24 3k6c n GLN 11 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3k6c n GLU 12 N -1.82 2.39 -4.56 2.61 1.02 -0.38 -4.93 120.64 114.97 3k6c n GLU 12 Ca 0.01 -2.13 -0.34 0.00 -0.02 0.00 0.00 57.16 54.68 3k6c n GLU 12 Cb 0.10 -1.48 -0.12 0.00 -0.02 0.00 0.00 31.44 29.92 3k6c n GLU 12 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3k6c s LEU 13 N -1.62 3.18 0.79 -4.62 1.43 0.04 -5.05 118.68 112.83 3k6c s LEU 13 Ca 0.34 -0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 53.25 3k6c s LEU 13 Cb 0.21 -1.72 0.07 0.00 0.03 0.00 0.00 46.19 44.79 3k6c s LEU 13 CO 0.30 0.29 1.15 -0.94 0.23 0.00 0.00 176.35 177.37 3k6c s SER 14 N -0.35 3.97 0.32 2.29 1.04 -1.26 -4.82 113.70 114.89 3k6c s SER 14 Ca 0.05 2.12 0.02 0.00 0.48 0.00 0.00 55.95 58.62 3k6c s SER 14 Cb -0.12 -2.56 0.58 0.00 0.10 0.00 0.00 66.02 64.02 3k6c s SER 14 CO 0.02 -2.40 1.94 0.44 0.98 0.00 0.00 173.24 174.22 3k6c h ASP 15 N -0.98 0.83 -0.12 7.02 3.32 -1.98 -1.17 116.42 123.33 3k6c h ASP 15 Ca -0.45 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.62 3k6c h ASP 15 Cb 1.26 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 3k6c h ASP 15 CO 0.48 0.55 0.01 -0.08 -1.72 0.00 0.00 179.24 178.48 3k6c h GLU 16 N 0.95 0.05 -0.66 3.56 4.81 -1.99 0.18 114.58 121.48 3k6c h GLU 16 Ca 0.34 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.57 3k6c h GLU 16 Cb 0.15 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 3k6c h GLU 16 CO -0.11 0.04 0.40 1.15 -0.73 0.00 0.00 179.01 179.75 3k6c h THR 17 N 0.06 1.19 -0.23 0.32 2.02 -1.83 -2.97 112.91 111.46 3k6c h THR 17 Ca 0.06 -0.41 -0.16 0.00 0.77 0.00 0.00 66.41 66.67 3k6c h THR 17 Cb 0.06 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 3k6c h THR 17 CO -0.09 0.19 -0.49 0.03 0.37 0.00 0.00 175.52 175.54 3k6c h ARG 18 N 0.91 0.74 -1.21 6.66 3.08 -0.73 0.34 114.38 124.17 3k6c h ARG 18 Ca 0.24 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3k6c h ARG 18 Cb -0.04 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3k6c h ARG 18 CO -0.05 1.11 0.00 -0.25 -1.07 0.00 0.00 179.97 179.71 3k6c n ASP 19 N -4.13 0.00 0.00 7.04 8.00 0.60 -0.88 116.55 127.18 3k6c n ASP 19 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 3k6c n ASP 19 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 3k6c n ASP 19 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 3k6c n HIS 21 N 0.77 0.00 -0.12 1.24 -0.00 0.11 -1.30 115.22 115.92 3k6c n HIS 21 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.66 3k6c n HIS 21 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.01 3k6c n HIS 21 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3k6c h ARG 22 N 0.00 0.34 -0.05 1.57 3.08 -1.28 0.77 114.38 118.81 3k6c h ARG 22 Ca 0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3k6c h ARG 22 Cb 0.00 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 3k6c h ARG 22 CO 0.00 0.23 0.01 0.00 -1.07 0.00 0.00 179.97 179.14 3k6c h ALA 23 N 1.23 0.07 0.52 0.04 0.00 -1.47 -1.52 119.26 118.13 3k6c h ALA 23 Ca 0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3k6c h ALA 23 Cb 0.11 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3k6c h ALA 23 CO -0.14 -0.30 -0.25 0.82 0.00 0.00 0.00 179.25 179.38 3k6c h ILE 24 N -0.14 0.49 -0.86 0.00 2.04 -1.78 0.89 117.51 118.14 3k6c h ILE 24 Ca 0.02 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.84 3k6c h ILE 24 Cb 0.25 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 3k6c h ILE 24 CO 0.00 0.01 0.54 -0.29 0.00 0.00 0.00 178.15 178.42 3k6c h ILE 25 N -0.74 1.09 -0.50 -0.67 2.10 -0.91 0.48 117.51 118.36 3k6c h ILE 25 Ca -0.07 -0.35 0.07 0.00 1.08 0.00 0.00 64.86 65.58 3k6c h ILE 25 Cb 0.56 -0.03 -0.06 0.00 -1.09 0.00 0.00 36.82 36.20 3k6c h ILE 25 CO 0.12 0.19 0.18 0.28 -1.08 0.00 0.00 178.15 177.84 3k6c h SER 26 N 1.03 0.19 -0.08 2.19 0.02 -1.07 -0.67 113.55 115.16 3k6c h SER 26 Ca 0.36 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.38 3k6c h SER 26 Cb 0.08 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3k6c h SER 26 CO -0.14 0.14 -0.02 0.25 -1.14 0.00 0.00 176.83 175.91 3k6c h LEU 27 N 0.36 -0.09 -0.74 5.07 5.85 0.15 -0.25 115.31 125.66 3k6c h LEU 27 Ca 0.24 0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.08 3k6c h LEU 27 Cb 0.25 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.26 3k6c h LEU 27 CO -0.24 -0.03 0.39 0.03 -0.34 0.00 0.00 178.44 178.25 3k6c h ARG 28 N -0.01 0.65 -0.43 1.25 3.08 -0.72 -1.03 114.38 117.16 3k6c h ARG 28 Ca 0.04 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 3k6c h ARG 28 Cb 0.07 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3k6c h ARG 28 CO -0.09 0.43 -0.15 0.93 -1.07 0.00 0.00 179.97 180.02 3k6c h GLU 29 N 0.67 0.86 -0.72 0.04 5.08 -0.86 -1.32 114.58 118.33 3k6c h GLU 29 Ca 0.36 -0.35 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3k6c h GLU 29 Cb 0.36 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 3k6c h GLU 29 CO -0.26 0.99 0.44 0.93 -1.00 0.00 0.00 179.01 180.11 3k6c h GLU 30 N 0.69 0.80 -0.60 2.33 4.39 -0.51 -1.48 114.58 120.20 3k6c h GLU 30 Ca 0.10 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.67 3k6c h GLU 30 Cb 0.70 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 3k6c h GLU 30 CO 0.05 0.53 0.03 -0.07 -1.16 0.00 0.00 179.01 178.39 3k6c h LEU 31 N 0.83 0.99 -0.40 1.33 3.38 -1.06 -1.15 115.31 119.24 3k6c h LEU 31 Ca 0.30 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3k6c h LEU 31 Cb 0.10 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3k6c h LEU 31 CO -0.14 1.03 0.21 -0.08 0.09 0.00 0.00 178.44 179.55 3k6c h GLU 32 N 0.94 0.56 -0.67 1.13 4.81 -1.00 -1.03 114.58 119.32 3k6c h GLU 32 Ca 0.18 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3k6c h GLU 32 Cb 0.51 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 3k6c h GLU 32 CO 0.02 0.47 0.38 0.00 -0.73 0.00 0.00 179.01 179.16 3k6c h ALA 33 N 1.06 0.86 -0.10 2.92 0.00 -0.88 0.21 119.26 123.32 3k6c h ALA 33 Ca 0.14 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3k6c h ALA 33 Cb 0.08 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 3k6c h ALA 33 CO -0.02 0.36 -0.37 0.28 0.00 0.00 0.00 179.25 179.49 3k6c h VAL 34 N 0.92 0.21 -0.25 0.00 2.07 -0.79 -1.07 116.25 117.34 3k6c h VAL 34 Ca 0.24 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.81 3k6c h VAL 34 Cb 0.01 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 29.94 3k6c h VAL 34 CO -0.04 0.00 -0.08 -0.78 0.02 0.00 0.00 177.57 176.69 3k6c h ASP 35 N -0.47 -0.29 -0.07 0.57 1.82 -0.75 -2.12 116.42 115.13 3k6c h ASP 35 Ca 0.08 0.08 -0.00 0.00 -0.39 0.00 0.00 57.03 56.80 3k6c h ASP 35 Cb 0.60 0.18 -0.00 0.00 0.68 0.00 0.00 39.33 40.78 3k6c h ASP 35 CO -0.36 -0.11 0.03 -0.07 -1.61 0.00 0.00 179.24 177.13 3k6c h LEU 36 N -0.03 0.09 -1.74 2.28 3.38 -0.49 -1.80 115.31 117.00 3k6c h LEU 36 Ca 0.13 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3k6c h LEU 36 Cb 0.22 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3k6c h LEU 36 CO -0.28 0.19 0.23 1.88 0.09 0.00 0.00 178.44 180.56 3k6c h TYR 37 N -0.02 0.32 -0.11 1.13 0.05 -1.10 -1.36 116.97 115.88 3k6c h TYR 37 Ca 0.02 0.01 -0.21 0.00 0.05 0.00 0.00 58.73 58.60 3k6c h TYR 37 Cb 0.12 -0.11 0.01 0.00 1.01 0.00 0.00 36.73 37.77 3k6c h TYR 37 CO -0.03 0.19 -0.76 -0.97 -1.05 0.00 0.00 178.16 175.53 3k6c h ASN 38 N 0.33 0.87 -0.36 3.88 -0.73 -1.17 0.35 115.58 118.75 3k6c h ASN 38 Ca 0.14 -0.66 -0.16 0.00 1.87 0.00 0.00 56.30 57.50 3k6c h ASN 38 Cb 0.15 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.48 3k6c h ASN 38 CO -0.03 1.39 -0.38 1.56 -0.37 0.00 0.00 177.43 179.60 3k6c h GLN 39 N 0.41 0.91 -0.29 6.67 4.20 -0.84 -2.50 115.11 123.68 3k6c h GLN 39 Ca -0.06 -0.47 -0.04 0.00 0.06 0.00 0.00 58.65 58.14 3k6c h GLN 39 Cb 1.40 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.19 3k6c h GLN 39 CO 0.16 1.13 0.04 0.00 -0.67 0.00 0.00 178.83 179.48 3k6c h ARG 40 N 0.75 0.48 -0.63 1.46 3.08 -0.89 0.14 114.38 118.77 3k6c h ARG 40 Ca 0.06 -0.13 0.13 0.00 0.07 0.00 0.00 59.98 60.11 3k6c h ARG 40 Cb 0.97 -0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.84 3k6c h ARG 40 CO 0.09 0.59 -0.18 0.28 -1.07 0.00 0.00 179.97 179.68 3k6c h VAL 41 N 0.29 0.33 -0.75 2.04 2.07 -0.31 0.88 116.25 120.81 3k6c h VAL 41 Ca 0.09 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 3k6c h VAL 41 Cb 0.35 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3k6c h VAL 41 CO 0.01 0.00 0.32 -1.13 0.02 0.00 0.00 177.57 176.79 3k6c h ASN 42 N -0.02 1.01 0.76 0.57 -0.73 -1.10 -3.02 115.58 113.04 3k6c h ASN 42 Ca 0.30 -0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.33 3k6c h ASN 42 Cb 0.48 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 38.81 3k6c h ASN 42 CO -0.66 0.88 -0.70 0.00 -0.37 0.00 0.00 177.43 176.58 3k6c n ALA 43 N -2.44 3.04 -1.56 1.57 0.00 0.01 -4.98 120.51 116.15 3k6c n ALA 43 Ca 0.07 -0.28 -0.36 0.00 0.00 0.00 0.00 53.44 52.87 3k6c n ALA 43 Cb 0.17 -1.13 0.07 0.00 0.00 0.00 0.00 19.45 18.56 3k6c n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k6c n LYS 45 N -2.22 0.41 -2.18 0.00 4.76 -1.26 -4.98 118.16 112.69 3k6c n LYS 45 Ca 0.14 0.14 -0.43 0.00 -2.87 0.00 0.00 58.31 55.29 3k6c n LYS 45 Cb 0.49 -1.24 -0.02 0.00 -1.84 0.00 0.00 35.03 32.41 3k6c n LYS 45 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3k6c s ASP 46 N -6.16 6.74 0.20 4.39 -1.08 -1.26 -4.94 116.67 114.57 3k6c s ASP 46 Ca -0.24 1.95 -0.10 0.00 -0.52 0.00 0.00 52.55 53.64 3k6c s ASP 46 Cb 0.08 -2.53 0.22 0.00 -1.46 0.00 0.00 42.92 39.22 3k6c s ASP 46 CO 0.36 -0.91 1.81 0.11 0.52 0.00 0.00 175.17 177.06 3k6c h LYS 47 N 9.18 0.65 -0.22 4.34 1.57 -1.99 -0.86 116.57 129.24 3k6c h LYS 47 Ca -0.34 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3k6c h LYS 47 Cb 1.15 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 3k6c h LYS 47 CO 0.97 0.43 0.13 1.49 -0.57 0.00 0.00 179.45 181.89 3k6c h GLU 48 N 0.67 0.31 -0.65 3.15 4.81 -2.00 -1.80 114.58 119.07 3k6c h GLU 48 Ca 0.29 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 3k6c h GLU 48 Cb 0.16 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 3k6c h GLU 48 CO -0.17 0.27 0.37 1.25 -0.73 0.00 0.00 179.01 180.00 3k6c h LEU 49 N 0.26 0.81 -0.88 1.64 5.85 -1.91 -2.25 115.31 118.82 3k6c h LEU 49 Ca 0.08 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.77 3k6c h LEU 49 Cb 0.05 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 3k6c h LEU 49 CO -0.01 0.66 0.56 0.50 -0.34 0.00 0.00 178.44 179.80 3k6c h LYS 50 N 0.89 0.99 -0.15 1.25 3.64 -0.92 -1.01 116.57 121.26 3k6c h LYS 50 Ca 0.23 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3k6c h LYS 50 Cb 0.02 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 3k6c h LYS 50 CO -0.04 0.66 0.04 0.00 -2.27 0.00 0.00 179.45 177.84 3k6c h ALA 51 N 1.41 0.20 -0.87 5.00 0.00 -1.00 -1.10 119.26 122.91 3k6c h ALA 51 Ca 0.38 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.26 3k6c h ALA 51 Cb 0.15 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 3k6c h ALA 51 CO -0.17 -0.17 0.56 0.82 0.00 0.00 0.00 179.25 180.30 3k6c h ILE 52 N 0.05 0.92 -0.02 0.00 2.04 -0.85 0.19 117.51 119.84 3k6c h ILE 52 Ca 0.05 -0.27 -0.26 0.00 1.00 0.00 0.00 64.86 65.38 3k6c h ILE 52 Cb 0.25 0.07 0.02 0.00 -0.74 0.00 0.00 36.82 36.42 3k6c h ILE 52 CO 0.00 0.14 -1.00 -0.07 0.00 0.00 0.00 178.15 177.22 3k6c h LEU 53 N 0.79 0.92 -1.56 1.44 3.38 -0.94 -0.74 115.31 118.61 3k6c h LEU 53 Ca 0.41 -0.71 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 3k6c h LEU 53 Cb 0.50 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3k6c h LEU 53 CO -0.18 1.52 -0.16 0.00 0.09 0.00 0.00 178.44 179.71 3k6c h ALA 54 N 0.43 1.14 0.07 1.53 0.00 -0.79 -0.04 119.26 121.60 3k6c h ALA 54 Ca -0.12 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3k6c h ALA 54 Cb 1.65 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3k6c h ALA 54 CO 0.20 0.20 -0.03 1.25 0.00 0.00 0.00 179.25 180.87 3k6c h HIS 55 N 0.00 -0.09 -0.69 0.00 -0.00 -0.79 -2.40 115.15 111.18 3k6c h HIS 55 Ca -0.00 -0.00 0.15 0.00 -0.00 0.00 0.00 60.37 60.52 3k6c h HIS 55 Cb 0.53 0.03 -0.11 0.00 -0.00 0.00 0.00 27.41 27.85 3k6c h HIS 55 CO 0.00 0.03 0.07 -0.91 -0.00 0.00 0.00 177.93 177.12 3k6c h ASN 56 N -1.02 -0.18 -0.78 3.26 4.21 -1.15 0.20 115.58 120.13 3k6c h ASN 56 Ca -0.01 0.16 0.12 0.00 1.21 0.00 0.00 56.30 57.78 3k6c h ASN 56 Cb 0.16 0.26 -0.09 0.00 -1.12 0.00 0.00 38.32 37.53 3k6c h ASN 56 CO 0.02 -0.10 0.38 -0.09 -1.29 0.00 0.00 177.43 176.34 3k6c h ARG 57 N 0.17 0.57 0.00 0.81 2.43 -1.05 -2.54 114.38 114.76 3k6c h ARG 57 Ca 0.38 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.37 3k6c h ARG 57 Cb 0.64 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 3k6c h ARG 57 CO -0.55 0.37 -0.71 -0.44 -1.51 0.00 0.00 179.97 177.13 3k6c h ASP 58 N 0.58 0.00 0.38 -3.80 3.32 -0.45 -2.81 116.42 113.64 3k6c h ASP 58 Ca 0.41 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.39 3k6c h ASP 58 Cb 0.54 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3k6c h ASP 58 CO -0.33 0.71 -0.34 -0.33 -1.72 0.00 0.00 179.24 177.22 3k6c h GLU 59 N 0.00 0.00 0.00 3.56 5.08 -0.97 -2.99 114.58 119.26 3k6c h GLU 59 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3k6c h GLU 59 Cb 1.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.75 3k6c h GLU 59 CO 0.09 0.34 -0.03 0.93 -1.00 0.00 0.00 179.01 179.35 3k6c h GLU 60 N 0.00 0.00 -0.54 2.33 4.39 -1.20 -0.31 114.58 119.25 3k6c h GLU 60 Ca -0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 3k6c h GLU 60 Cb 0.62 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 3k6c h GLU 60 CO 0.04 0.03 0.10 0.87 -1.16 0.00 0.00 179.01 178.90 3k6c h LYS 61 N 0.00 0.85 -0.17 2.33 1.57 -1.51 0.66 116.57 120.29 3k6c h LYS 61 Ca -0.00 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.52 3k6c h LYS 61 Cb 0.76 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 3k6c h LYS 61 CO 0.00 0.78 -0.17 1.49 -0.57 0.00 0.00 179.45 180.98 3k6c h GLU 62 N 0.81 0.42 -0.28 3.15 4.81 -1.10 -1.89 114.58 120.49 3k6c h GLU 62 Ca 0.17 -0.22 0.06 0.00 -0.13 0.00 0.00 59.36 59.24 3k6c h GLU 62 Cb 0.34 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 3k6c h GLU 62 CO 0.00 0.78 -0.07 0.45 -0.73 0.00 0.00 179.01 179.44 3k6c h HIS 63 N 0.07 -0.16 -0.46 0.92 3.86 -1.30 -2.70 115.15 115.38 3k6c h HIS 63 Ca 0.03 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.31 3k6c h HIS 63 Cb 0.71 0.11 -0.04 0.00 1.06 0.00 0.00 27.41 29.25 3k6c h HIS 63 CO 0.08 -0.13 0.21 0.00 0.86 0.00 0.00 177.93 178.96 3k6c h ALA 64 N 1.27 0.57 0.00 2.45 0.00 -0.86 -2.45 119.26 120.24 3k6c h ALA 64 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3k6c h ALA 64 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3k6c h ALA 64 CO -0.29 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 178.81 3k6c n ALA 65 N -2.33 1.24 0.00 0.00 0.00 -0.71 -0.76 120.51 117.94 3k6c n ALA 65 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3k6c n ALA 65 Cb 0.13 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3k6c n ALA 65 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k6c n LEU 67 N 0.75 0.00 -0.26 0.00 4.77 -0.92 -0.91 117.00 120.43 3k6c n LEU 67 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 3k6c n LEU 67 Cb 0.00 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.23 3k6c n LEU 67 CO 0.00 0.00 1.09 0.25 -1.33 0.00 0.00 177.39 177.40 3k6c h LEU 68 N 0.00 0.52 -0.23 2.23 5.85 -1.21 -1.12 115.31 121.35 3k6c h LEU 68 Ca 0.00 0.06 -0.22 0.00 0.84 0.00 0.00 57.88 58.56 3k6c h LEU 68 Cb 0.00 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.00 3k6c h LEU 68 CO 0.00 0.30 -0.83 -0.08 -0.34 0.00 0.00 178.44 177.49 3k6c h GLU 69 N 0.66 0.58 -0.82 1.25 4.57 -1.28 -0.37 114.58 119.17 3k6c h GLU 69 Ca 0.36 -0.52 0.01 0.00 -1.18 0.00 0.00 59.36 58.03 3k6c h GLU 69 Cb 0.36 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.03 3k6c h GLU 69 CO -0.26 1.14 0.54 2.35 -1.18 0.00 0.00 179.01 181.60 3k6c h TRP 70 N 0.38 1.02 -0.63 0.92 7.01 -1.73 -1.49 115.95 121.43 3k6c h TRP 70 Ca -0.06 0.02 0.01 0.00 2.11 0.00 0.00 58.89 60.97 3k6c h TRP 70 Cb 1.44 -0.35 -0.03 0.00 -2.10 0.00 0.00 29.16 28.12 3k6c h TRP 70 CO 0.07 0.64 0.42 0.82 -2.79 0.00 0.00 178.44 177.60 3k6c h ILE 71 N 1.10 1.15 -0.67 2.65 2.04 -0.86 -2.99 117.51 119.92 3k6c h ILE 71 Ca 0.30 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 3k6c h ILE 71 Cb -0.12 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.16 3k6c h ILE 71 CO -0.07 0.15 0.24 -0.09 0.00 0.00 0.00 178.15 178.38 3k6c h ARG 72 N 0.85 1.01 0.00 2.37 2.43 -0.35 -1.94 114.38 118.75 3k6c h ARG 72 Ca 0.23 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3k6c h ARG 72 Cb -0.08 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.31 3k6c h ARG 72 CO -0.06 0.85 0.00 0.00 -1.51 0.00 0.00 179.97 179.25 3k6c h ARG 73 N 0.99 0.00 -0.02 0.20 3.08 -1.15 -3.11 114.38 114.36 3k6c h ARG 73 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3k6c h ARG 73 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3k6c h ARG 73 CO -0.01 0.00 -0.09 0.00 -1.07 0.00 0.00 179.97 178.79 3k6c s ASP 75 N -1.61 3.40 0.20 0.00 -1.08 -0.83 -5.00 116.67 111.75 3k6c s ASP 75 Ca 0.19 -1.29 -0.08 0.00 -0.52 0.00 0.00 52.55 50.85 3k6c s ASP 75 Cb 0.14 -0.30 0.11 0.00 -1.46 0.00 0.00 42.92 41.42 3k6c s ASP 75 CO 0.28 -0.43 1.69 -0.65 0.52 0.00 0.00 175.17 176.57 3k6c h PRO 76 N 8.35 1.10 -0.18 4.34 0.11 -1.89 -0.99 132.00 142.84 3k6c h PRO 76 Ca -0.19 -0.30 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 3k6c h PRO 76 Cb 1.01 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 3k6c h PRO 76 CO 0.43 1.01 -0.19 0.00 -0.21 0.00 0.00 178.00 179.04 3k6c h ALA 77 N 1.06 1.34 0.01 -0.75 0.00 -1.95 -0.83 119.26 118.16 3k6c h ALA 77 Ca 0.20 -0.27 -0.26 0.00 0.00 0.00 0.00 54.91 54.58 3k6c h ALA 77 Cb 0.46 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.16 3k6c h ALA 77 CO 0.02 0.45 -1.04 0.35 0.00 0.00 0.00 179.25 179.02 3k6c h PHE 78 N 0.29 0.94 -0.56 0.00 3.57 -1.87 -3.12 116.94 116.19 3k6c h PHE 78 Ca 0.05 -0.52 -0.01 0.00 3.53 0.00 0.00 57.97 61.02 3k6c h PHE 78 Cb 0.50 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 3k6c h PHE 78 CO 0.01 1.35 0.29 0.22 -2.23 0.00 0.00 178.31 177.95 3k6c h ASP 79 N 0.35 0.69 -0.16 0.41 3.58 -0.60 0.12 116.42 120.81 3k6c h ASP 79 Ca -0.12 -0.06 0.02 0.00 0.42 0.00 0.00 57.03 57.29 3k6c h ASP 79 Cb 1.69 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.54 3k6c h ASP 79 CO 0.20 0.57 0.05 0.50 -2.88 0.00 0.00 179.24 177.68 3k6c h LYS 80 N 0.78 0.13 -0.38 0.28 3.64 -1.21 -1.98 116.57 117.83 3k6c h LYS 80 Ca 0.20 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.45 3k6c h LYS 80 Cb 0.05 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3k6c h LYS 80 CO -0.03 0.08 -0.24 0.93 -2.27 0.00 0.00 179.45 177.93 3k6c h GLU 81 N 0.13 0.83 -0.58 1.90 4.39 -0.97 -2.07 114.58 118.21 3k6c h GLU 81 Ca 0.07 -0.38 -0.04 0.00 0.34 0.00 0.00 59.36 59.35 3k6c h GLU 81 Cb 0.04 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 3k6c h GLU 81 CO -0.08 1.02 0.20 -0.07 -1.16 0.00 0.00 179.01 178.93 3k6c h LEU 82 N 0.63 0.78 -1.33 1.33 3.38 -1.17 -0.74 115.31 118.19 3k6c h LEU 82 Ca 0.08 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3k6c h LEU 82 Cb 0.80 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 3k6c h LEU 82 CO 0.07 0.72 0.49 0.11 0.09 0.00 0.00 178.44 179.93 3k6c h LYS 83 N 0.83 0.80 0.01 1.13 1.57 -1.16 -0.36 116.57 119.39 3k6c h LYS 83 Ca 0.19 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 58.73 3k6c h LYS 83 Cb 0.21 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3k6c h LYS 83 CO -0.01 0.53 -0.89 -0.44 -0.57 0.00 0.00 179.45 178.07 3k6c h ASP 84 N 0.83 0.25 0.00 0.86 3.32 -0.44 -3.40 116.42 117.84 3k6c h ASP 84 Ca 0.32 -0.21 -0.15 0.00 0.02 0.00 0.00 57.03 57.01 3k6c h ASP 84 Cb 0.21 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3k6c h ASP 84 CO -0.11 1.02 -1.56 -1.22 -1.72 0.00 0.00 179.24 175.66 3k6c n TYR 85 N -3.65 0.00 -2.18 4.55 4.02 -0.79 -5.00 117.16 114.11 3k6c n TYR 85 Ca -0.04 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.45 3k6c n TYR 85 Cb 0.81 -0.39 -0.02 0.00 -0.02 0.00 0.00 39.34 39.73 3k6c n TYR 85 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3k6c s LEU 86 N -5.18 4.42 -1.12 7.72 2.01 -0.15 -3.57 118.68 122.81 3k6c s LEU 86 Ca -0.10 2.60 -0.04 0.00 0.01 0.00 0.00 54.13 56.61 3k6c s LEU 86 Cb 0.03 -3.68 0.00 0.00 0.01 0.00 0.00 46.19 42.55 3k6c s LEU 86 CO 0.27 -0.50 0.48 0.49 1.01 0.00 0.00 176.35 178.10 3k6c n PHE 87 N 0.78 -1.48 -3.91 0.29 3.72 -1.26 -4.89 117.46 110.70 3k6c n PHE 87 Ca 0.00 0.41 -0.23 0.00 -0.05 0.00 0.00 57.45 57.58 3k6c n PHE 87 Cb 0.43 -3.59 -0.00 0.00 -0.94 0.00 0.00 39.48 35.37 3k6c n PHE 87 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3k6c n THR 88 N -4.18 0.00 -0.46 4.37 -2.24 -1.23 -5.08 114.28 105.45 3k6c n THR 88 Ca -0.08 -1.90 0.00 0.00 -2.27 0.00 0.00 64.05 59.80 3k6c n THR 88 Cb 0.59 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 3k6c n THR 88 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3k6c n ASN 89 N -1.80 0.26 -4.68 3.42 0.23 -1.26 -5.11 115.26 106.33 3k6c n ASN 89 Ca -0.03 -0.77 -0.29 0.00 -0.53 0.00 0.00 54.58 52.95 3k6c n ASN 89 Cb 0.54 0.10 0.15 0.00 -2.08 0.00 0.00 39.78 38.49 3k6c n ASN 89 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 3k6c s LYS 90 N -0.10 0.84 0.31 -3.83 -2.85 -1.26 -4.99 119.74 107.86 3k6c s LYS 90 Ca 0.00 0.27 -0.29 0.00 -1.00 0.00 0.00 55.97 54.95 3k6c s LYS 90 Cb 0.00 -1.81 -0.10 0.00 -2.06 0.00 0.00 37.83 33.86 3k6c s LYS 90 CO 0.00 -2.40 1.22 -2.14 0.10 0.00 0.00 175.35 172.13 3k6c s PRO 91 N -5.27 4.47 -0.13 1.78 0.02 -1.26 -4.96 135.00 129.66 3k6c s PRO 91 Ca 0.65 2.04 -0.17 0.00 0.02 0.00 0.00 61.00 63.54 3k6c s PRO 91 Cb -0.15 -3.11 -0.15 0.00 0.02 0.00 0.00 34.50 31.11 3k6c s PRO 91 CO 0.54 -0.02 0.44 0.82 -0.33 0.00 0.00 177.00 178.45 3k6c h ILE 92 N 3.05 1.04 0.00 2.83 1.08 -2.00 -3.53 117.51 119.97 3k6c h ILE 92 Ca -0.48 -1.79 0.00 0.00 -0.39 0.00 0.00 64.86 62.20 3k6c h ILE 92 Cb 1.22 1.98 0.00 0.00 -3.07 0.00 0.00 36.82 36.95 3k6c h ILE 92 CO 0.66 0.35 0.00 0.00 -0.69 0.00 0.00 178.15 178.47