#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 2.92 3.56 0.44 0.00 -1.26 -5.00 105.19 105.85 3k6c n GLY 5 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.78 3.10 -0.90 1.61 2.02 -1.26 -4.91 117.35 115.24 3k6c s TYR 6 Ca 0.00 0.28 0.19 0.00 -0.37 0.00 0.00 57.07 57.17 3k6c s TYR 6 Cb 0.00 -3.30 -0.21 0.00 -0.40 0.00 0.00 41.96 38.05 3k6c s TYR 6 CO 0.00 -0.75 0.81 1.19 -1.57 0.00 0.00 175.55 175.23 3k6c n PHE 7 N 6.25 0.00 -4.37 2.71 3.01 -1.26 -4.88 117.46 118.92 3k6c n PHE 7 Ca -0.00 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.21 3k6c n PHE 7 Cb 0.48 -0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.82 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 -2.80 1.19 0.14 -1.08 0.41 -1.26 -5.10 118.70 110.20 3k6c s GLU 8 Ca 0.07 -1.12 -0.34 0.00 -0.41 0.00 0.00 54.97 53.17 3k6c s GLU 8 Cb 0.14 -1.44 -0.16 0.00 -1.78 0.00 0.00 34.13 30.90 3k6c s GLU 8 CO 0.78 0.34 1.32 -2.30 -0.49 0.00 0.00 175.26 174.91 3k6c n PRO 9 N 1.25 1.37 -0.20 0.39 -0.02 -1.26 -4.83 135.00 131.68 3k6c n PRO 9 Ca -0.19 0.49 0.15 0.00 -2.02 0.00 0.00 63.50 61.93 3k6c n PRO 9 Cb 0.53 -2.10 0.46 0.00 -0.02 0.00 0.00 33.50 32.38 3k6c n PRO 9 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3k6c h THR 10 N 3.11 0.80 0.00 3.45 1.35 -1.95 -0.02 112.91 119.64 3k6c h THR 10 Ca -0.46 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3k6c h THR 10 Cb 1.32 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 3k6c h THR 10 CO 0.76 0.09 0.00 0.00 -0.25 0.00 0.00 175.52 176.12 3k6c n GLN 11 N -4.51 0.44 0.00 4.72 0.00 -1.26 -1.96 117.38 114.81 3k6c n GLN 11 Ca 0.16 0.06 0.12 0.00 0.00 0.00 0.00 57.00 57.34 3k6c n GLN 11 Cb 0.52 -1.50 0.21 0.00 0.00 0.00 0.00 30.24 29.47 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 -1.19 2.02 -4.77 2.61 1.02 -0.02 -4.95 120.64 115.35 3k6c n GLU 12 Ca 0.12 -1.56 -0.33 0.00 -0.02 0.00 0.00 57.16 55.37 3k6c n GLU 12 Cb 0.14 -1.47 -0.12 0.00 -0.02 0.00 0.00 31.44 29.97 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 -2.06 2.91 0.68 -4.62 1.43 -0.83 -5.05 118.68 111.14 3k6c s LEU 13 Ca 0.30 -0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 53.12 3k6c s LEU 13 Cb 0.20 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.81 3k6c s LEU 13 CO 0.34 0.34 1.09 -0.94 0.23 0.00 0.00 176.35 177.40 3k6c s SER 14 N -0.66 5.13 0.40 2.29 1.04 -1.26 -4.84 113.70 115.79 3k6c s SER 14 Ca 0.10 1.88 0.16 0.00 0.48 0.00 0.00 55.95 58.57 3k6c s SER 14 Cb -0.11 -2.53 1.04 0.00 0.10 0.00 0.00 66.02 64.51 3k6c s SER 14 CO 0.01 -1.61 1.83 0.44 0.98 0.00 0.00 173.24 174.89 3k6c h ASP 15 N -0.26 0.47 0.04 7.02 3.32 -1.98 -0.10 116.42 124.93 3k6c h ASP 15 Ca -0.46 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 56.65 3k6c h ASP 15 Cb 1.23 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3k6c h ASP 15 CO 0.54 0.17 -0.02 -0.08 -1.72 0.00 0.00 179.24 178.13 3k6c h GLU 16 N 0.46 -0.05 -0.97 3.56 4.81 -1.99 0.10 114.58 120.50 3k6c h GLU 16 Ca 0.51 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.78 3k6c h GLU 16 Cb 1.19 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.52 3k6c h GLU 16 CO -0.22 0.22 0.63 1.15 -0.73 0.00 0.00 179.01 180.06 3k6c h THR 17 N -0.33 1.15 -0.09 0.32 2.02 -1.79 -1.87 112.91 112.31 3k6c h THR 17 Ca -0.01 -0.41 -0.11 0.00 0.77 0.00 0.00 66.41 66.65 3k6c h THR 17 Cb 0.30 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 3k6c h THR 17 CO 0.01 0.22 -0.44 0.03 0.37 0.00 0.00 175.52 175.71 3k6c h ARG 18 N 1.20 0.20 -1.43 6.66 3.08 -0.56 0.44 114.38 123.98 3k6c h ARG 18 Ca 0.39 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3k6c h ARG 18 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3k6c h ARG 18 CO -0.13 0.61 0.00 -0.25 -1.07 0.00 0.00 179.97 179.12 3k6c n ASP 19 N -4.01 2.21 0.00 7.04 8.00 0.31 -0.92 116.55 129.19 3k6c n ASP 19 Ca -0.02 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 54.07 3k6c n ASP 19 Cb 0.49 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 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 0.81 0.00 -0.27 1.24 -0.00 0.14 -1.66 115.22 115.48 3k6c n HIS 21 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.78 3k6c n HIS 21 Cb 0.33 0.00 0.21 0.00 -0.00 0.00 0.00 29.99 30.53 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 0.48 -0.14 1.57 3.08 -1.29 -0.50 114.38 117.59 3k6c h ARG 22 Ca 0.00 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 59.83 3k6c h ARG 22 Cb 0.00 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 29.95 3k6c h ARG 22 CO 0.00 0.32 -0.64 0.00 -1.07 0.00 0.00 179.97 178.58 3k6c h ALA 23 N 1.56 0.27 -0.13 0.04 0.00 -1.59 -2.12 119.26 117.29 3k6c h ALA 23 Ca 0.44 -0.55 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 3k6c h ALA 23 Cb 0.67 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.45 3k6c h ALA 23 CO -0.40 0.55 -0.64 0.82 0.00 0.00 0.00 179.25 179.58 3k6c h ILE 24 N 0.36 1.32 -0.49 0.00 2.04 -1.75 -1.53 117.51 117.45 3k6c h ILE 24 Ca -0.04 -1.89 -0.08 0.00 1.00 0.00 0.00 64.86 63.85 3k6c h ILE 24 Cb 1.28 2.08 -0.02 0.00 -0.74 0.00 0.00 36.82 39.42 3k6c h ILE 24 CO 0.13 0.59 -0.01 -0.29 0.00 0.00 0.00 178.15 178.57 3k6c h ILE 25 N 0.34 1.26 -0.83 -0.67 2.10 -1.19 0.67 117.51 119.19 3k6c h ILE 25 Ca -0.04 -1.09 0.01 0.00 1.08 0.00 0.00 64.86 64.82 3k6c h ILE 25 Cb 1.28 0.99 -0.04 0.00 -1.09 0.00 0.00 36.82 37.95 3k6c h ILE 25 CO 0.13 0.38 0.55 0.28 -1.08 0.00 0.00 178.15 178.42 3k6c h SER 26 N 0.73 0.95 -0.12 2.19 0.02 -1.39 0.08 113.55 116.01 3k6c h SER 26 Ca 0.14 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 3k6c h SER 26 Cb 0.53 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 3k6c h SER 26 CO 0.03 0.68 -0.04 0.25 -1.14 0.00 0.00 176.83 176.61 3k6c h LEU 27 N 1.11 0.24 -0.75 5.07 5.85 -1.04 -1.66 115.31 124.13 3k6c h LEU 27 Ca 0.31 -0.39 0.12 0.00 0.84 0.00 0.00 57.88 58.76 3k6c h LEU 27 Cb -0.10 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 40.78 3k6c h LEU 27 CO -0.07 0.57 0.36 0.03 -0.34 0.00 0.00 178.44 178.99 3k6c h ARG 28 N -0.09 0.55 -0.46 1.25 3.08 -0.50 -1.62 114.38 116.59 3k6c h ARG 28 Ca 0.03 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 3k6c h ARG 28 Cb 0.47 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3k6c h ARG 28 CO 0.01 0.36 -0.01 0.93 -1.07 0.00 0.00 179.97 180.20 3k6c h GLU 29 N 0.57 0.76 -0.15 0.04 5.08 -0.86 -0.84 114.58 119.17 3k6c h GLU 29 Ca 0.39 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 3k6c h GLU 29 Cb 0.50 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3k6c h GLU 29 CO -0.32 0.78 -0.07 0.93 -1.00 0.00 0.00 179.01 179.33 3k6c h GLU 30 N 0.71 0.32 -0.34 2.33 4.39 -0.75 -2.42 114.58 118.82 3k6c h GLU 30 Ca 0.14 -0.14 0.02 0.00 0.34 0.00 0.00 59.36 59.72 3k6c h GLU 30 Cb 0.45 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 3k6c h GLU 30 CO 0.02 0.63 0.19 -0.07 -1.16 0.00 0.00 179.01 178.62 3k6c h LEU 31 N -0.01 0.29 -0.73 1.33 3.38 -1.19 -2.11 115.31 116.28 3k6c h LEU 31 Ca 0.04 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.06 3k6c h LEU 31 Cb 0.54 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 3k6c h LEU 31 CO 0.02 0.22 0.45 -0.08 0.09 0.00 0.00 178.44 179.13 3k6c h GLU 32 N 0.39 0.83 -0.61 1.13 4.81 -1.15 -1.77 114.58 118.20 3k6c h GLU 32 Ca 0.14 -0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.44 3k6c h GLU 32 Cb 0.02 -0.19 -0.09 0.00 0.63 0.00 0.00 28.75 29.12 3k6c h GLU 32 CO -0.08 0.55 0.09 0.00 -0.73 0.00 0.00 179.01 178.84 3k6c h ALA 33 N 1.33 0.69 0.18 2.92 0.00 -0.89 0.47 119.26 123.97 3k6c h ALA 33 Ca 0.31 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 3k6c h ALA 33 Cb 0.08 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3k6c h ALA 33 CO -0.14 -0.34 -0.09 0.28 0.00 0.00 0.00 179.25 178.96 3k6c h VAL 34 N 0.21 0.85 -0.03 0.00 2.07 -0.86 0.88 116.25 119.36 3k6c h VAL 34 Ca 0.32 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.77 3k6c h VAL 34 Cb 0.50 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 3k6c h VAL 34 CO -0.45 0.03 -0.33 -0.78 0.02 0.00 0.00 177.57 176.06 3k6c h ASP 35 N -0.30 -0.99 -0.42 0.57 3.58 -0.95 0.28 116.42 118.20 3k6c h ASP 35 Ca -0.02 0.13 0.01 0.00 0.42 0.00 0.00 57.03 57.57 3k6c h ASP 35 Cb 0.23 0.40 -0.03 0.00 1.72 0.00 0.00 39.33 41.66 3k6c h ASP 35 CO 0.04 -0.38 0.25 -0.07 -2.88 0.00 0.00 179.24 176.20 3k6c h LEU 36 N -0.46 0.42 -0.98 2.28 3.38 0.28 -0.93 115.31 119.30 3k6c h LEU 36 Ca 0.07 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3k6c h LEU 36 Cb 0.56 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3k6c h LEU 36 CO -0.29 0.30 0.64 1.88 0.09 0.00 0.00 178.44 181.06 3k6c h TYR 37 N 0.51 1.24 -0.46 1.13 0.05 0.10 -0.64 116.97 118.90 3k6c h TYR 37 Ca 0.16 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.90 3k6c h TYR 37 Cb -0.01 -0.42 -0.02 0.00 1.01 0.00 0.00 36.73 37.29 3k6c h TYR 37 CO -0.07 0.79 0.01 -0.97 -1.05 0.00 0.00 178.16 176.87 3k6c h ASN 38 N 1.33 0.72 -0.23 3.88 -1.24 0.30 0.35 115.58 120.69 3k6c h ASN 38 Ca 0.36 -0.16 -0.05 0.00 0.71 0.00 0.00 56.30 57.15 3k6c h ASN 38 Cb -0.14 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 38.71 3k6c h ASN 38 CO -0.08 0.78 -0.07 1.56 -1.29 0.00 0.00 177.43 178.34 3k6c h GLN 39 N 0.71 0.45 0.00 6.67 4.20 -0.71 -2.07 115.11 124.35 3k6c h GLN 39 Ca 0.14 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 3k6c h GLN 39 Cb 0.42 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3k6c h GLN 39 CO 0.02 0.69 -0.23 0.00 -0.67 0.00 0.00 178.83 178.64 3k6c h ARG 40 N 0.17 0.00 0.23 1.46 3.08 -0.58 -0.18 114.38 118.57 3k6c h ARG 40 Ca 0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3k6c h ARG 40 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3k6c h ARG 40 CO 0.02 0.23 -0.11 0.28 -1.07 0.00 0.00 179.97 179.32 3k6c h VAL 41 N 0.00 0.81 -1.23 2.04 2.07 -0.85 -0.97 116.25 118.11 3k6c h VAL 41 Ca -0.00 -0.81 0.36 0.00 0.82 0.00 0.00 66.70 67.06 3k6c h VAL 41 Cb 0.48 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 3k6c h VAL 41 CO 0.03 0.16 0.87 -1.13 0.02 0.00 0.00 177.57 177.52 3k6c h ASN 42 N -0.76 0.10 0.00 0.57 -0.73 -0.63 -1.88 115.58 112.25 3k6c h ASN 42 Ca -0.03 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.16 3k6c h ASN 42 Cb 0.50 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.10 3k6c h ASN 42 CO 0.05 0.00 -0.83 0.00 -0.37 0.00 0.00 177.43 176.29 3k6c n ALA 43 N -2.71 3.50 -1.77 1.57 0.00 -0.15 -5.04 120.51 115.90 3k6c n ALA 43 Ca 0.28 -0.37 -0.38 0.00 0.00 0.00 0.00 53.44 52.97 3k6c n ALA 43 Cb 1.26 -0.48 -0.01 0.00 0.00 0.00 0.00 19.45 20.22 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 -0.12 0.55 -2.15 0.00 4.76 -1.26 -4.99 118.16 114.95 3k6c n LYS 45 Ca 0.05 0.29 -0.41 0.00 -2.87 0.00 0.00 58.31 55.38 3k6c n LYS 45 Cb 0.46 -1.51 -0.03 0.00 -1.84 0.00 0.00 35.03 32.11 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 -6.59 6.82 0.05 4.39 -1.08 -1.26 -4.96 116.67 114.05 3k6c s ASP 46 Ca -0.31 2.56 -0.17 0.00 -0.52 0.00 0.00 52.55 54.11 3k6c s ASP 46 Cb 0.08 -2.63 -0.17 0.00 -1.46 0.00 0.00 42.92 38.74 3k6c s ASP 46 CO 0.45 -0.54 1.25 0.11 0.52 0.00 0.00 175.17 176.95 3k6c h LYS 47 N 4.40 0.57 0.33 4.34 1.57 -1.99 -2.88 116.57 122.91 3k6c h LYS 47 Ca -0.47 -0.45 -0.01 0.00 -1.87 0.00 0.00 60.65 57.85 3k6c h LYS 47 Cb 1.22 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 3k6c h LYS 47 CO 0.72 1.08 -0.23 0.93 -0.57 0.00 0.00 179.45 181.38 3k6c h GLU 48 N 0.19 -0.53 -0.95 3.15 3.07 -2.00 -1.84 114.58 115.66 3k6c h GLU 48 Ca -0.03 0.04 0.18 0.00 -0.50 0.00 0.00 59.36 59.04 3k6c h GLU 48 Cb 1.17 0.12 -0.08 0.00 -0.84 0.00 0.00 28.75 29.12 3k6c h GLU 48 CO 0.11 -0.35 0.61 1.25 -1.40 0.00 0.00 179.01 179.22 3k6c h LEU 49 N -0.55 0.65 -0.17 1.33 5.85 -1.99 -2.21 115.31 118.22 3k6c h LEU 49 Ca -0.03 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3k6c h LEU 49 Cb 0.47 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3k6c h LEU 49 CO 0.02 0.27 0.07 0.50 -0.34 0.00 0.00 178.44 178.96 3k6c h LYS 50 N 0.65 0.25 0.06 1.25 3.64 -1.15 0.12 116.57 121.38 3k6c h LYS 50 Ca 0.51 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.86 3k6c h LYS 50 Cb 0.93 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 3k6c h LYS 50 CO -0.27 0.32 -0.08 0.00 -2.27 0.00 0.00 179.45 177.15 3k6c h ALA 51 N 0.92 -0.14 -0.49 5.00 0.00 -0.79 0.07 119.26 123.84 3k6c h ALA 51 Ca 0.06 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.05 3k6c h ALA 51 Cb 0.16 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 17.98 3k6c h ALA 51 CO -0.01 -0.59 -0.20 0.82 0.00 0.00 0.00 179.25 179.27 3k6c h ILE 52 N -0.17 0.37 0.29 0.00 2.04 -1.22 0.31 117.51 119.14 3k6c h ILE 52 Ca 0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 3k6c h ILE 52 Cb 0.18 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3k6c h ILE 52 CO -0.04 0.00 -0.25 -0.07 0.00 0.00 0.00 178.15 177.79 3k6c h LEU 53 N -0.09 -0.65 -0.78 1.44 3.38 -0.22 0.74 115.31 119.13 3k6c h LEU 53 Ca 0.23 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.34 3k6c h LEU 53 Cb 0.45 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 3k6c h LEU 53 CO -0.56 -0.37 0.43 0.00 0.09 0.00 0.00 178.44 178.04 3k6c h ALA 54 N 0.08 1.09 0.27 1.53 0.00 -0.88 -0.28 119.26 121.06 3k6c h ALA 54 Ca -0.02 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3k6c h ALA 54 Cb 0.49 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3k6c h ALA 54 CO -0.02 0.07 -0.35 1.25 0.00 0.00 0.00 179.25 180.20 3k6c h HIS 55 N 0.74 -0.96 -0.72 0.00 -0.00 0.10 -1.72 115.15 112.59 3k6c h HIS 55 Ca 0.37 0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.80 3k6c h HIS 55 Cb 0.32 0.38 -0.05 0.00 -0.00 0.00 0.00 27.41 28.06 3k6c h HIS 55 CO -0.07 -0.48 0.43 -0.91 -0.00 0.00 0.00 177.93 176.90 3k6c h ASN 56 N -0.68 0.68 -0.43 3.26 4.21 -0.66 -2.34 115.58 119.62 3k6c h ASN 56 Ca -0.01 0.01 0.05 0.00 1.21 0.00 0.00 56.30 57.57 3k6c h ASN 56 Cb 0.64 -0.13 -0.05 0.00 -1.12 0.00 0.00 38.32 37.67 3k6c h ASN 56 CO -0.11 0.45 0.16 -0.09 -1.29 0.00 0.00 177.43 176.55 3k6c h ARG 57 N 0.81 0.33 0.00 0.81 2.43 -0.92 -1.93 114.38 115.91 3k6c h ARG 57 Ca 0.31 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.30 3k6c h ARG 57 Cb 0.11 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3k6c h ARG 57 CO -0.15 0.22 -0.75 -0.44 -1.51 0.00 0.00 179.97 177.33 3k6c h ASP 58 N 0.34 0.00 -0.29 -3.80 3.32 -0.82 -2.66 116.42 112.51 3k6c h ASP 58 Ca 0.20 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 3k6c h ASP 58 Cb 0.18 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3k6c h ASP 58 CO -0.20 0.75 -0.15 -0.08 -1.72 0.00 0.00 179.24 177.85 3k6c h GLU 59 N 0.00 0.73 0.00 3.56 4.81 -1.23 -3.01 114.58 119.44 3k6c h GLU 59 Ca -0.01 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 58.94 3k6c h GLU 59 Cb 1.34 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 3k6c h GLU 59 CO 0.10 0.84 -0.13 0.93 -0.73 0.00 0.00 179.01 180.02 3k6c h GLU 60 N 0.65 0.00 -0.17 1.92 5.08 -0.99 -1.82 114.58 119.25 3k6c h GLU 60 Ca 0.11 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3k6c h GLU 60 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3k6c h GLU 60 CO 0.04 0.13 -0.07 0.87 -1.00 0.00 0.00 179.01 178.99 3k6c h LYS 61 N 0.00 0.25 0.07 2.33 1.57 -1.43 -1.33 116.57 118.02 3k6c h LYS 61 Ca -0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3k6c h LYS 61 Cb 0.72 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3k6c h LYS 61 CO 0.02 0.34 -0.03 1.49 -0.57 0.00 0.00 179.45 180.69 3k6c h GLU 62 N 0.25 -0.09 -0.92 3.15 4.81 -1.36 -2.06 114.58 118.36 3k6c h GLU 62 Ca 0.05 0.01 0.18 0.00 -0.13 0.00 0.00 59.36 59.47 3k6c h GLU 62 Cb 0.28 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.60 3k6c h GLU 62 CO 0.01 0.14 0.59 0.45 -0.73 0.00 0.00 179.01 179.47 3k6c h HIS 63 N -0.30 0.75 0.40 0.92 3.86 -1.30 -1.83 115.15 117.66 3k6c h HIS 63 Ca -0.01 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 3k6c h HIS 63 Cb 0.26 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.50 3k6c h HIS 63 CO -0.00 0.22 -0.19 0.00 0.86 0.00 0.00 177.93 178.81 3k6c h ALA 64 N 1.61 -0.54 0.00 2.45 0.00 -1.09 -2.90 119.26 118.79 3k6c h ALA 64 Ca 0.48 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3k6c h ALA 64 Cb 0.95 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3k6c h ALA 64 CO -0.23 -0.68 0.00 0.00 0.00 0.00 0.00 179.25 178.34 3k6c n ALA 65 N -2.47 0.97 0.00 0.00 0.00 -0.69 -1.20 120.51 117.13 3k6c n ALA 65 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3k6c n ALA 65 Cb 0.28 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 0.70 0.00 0.02 0.00 4.77 -1.10 -0.96 117.00 120.43 3k6c n LEU 67 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3k6c n LEU 67 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3k6c n LEU 67 CO 0.00 0.00 0.33 0.25 -1.33 0.00 0.00 177.39 176.64 3k6c h LEU 68 N 0.00 0.68 -0.15 2.23 5.85 -1.43 -0.76 115.31 121.73 3k6c h LEU 68 Ca 0.00 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 3k6c h LEU 68 Cb 0.00 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3k6c h LEU 68 CO 0.00 1.20 0.09 -0.08 -0.34 0.00 0.00 178.44 179.31 3k6c h GLU 69 N 0.40 0.20 -0.82 1.25 4.57 -1.29 -1.24 114.58 117.64 3k6c h GLU 69 Ca -0.04 -0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.22 3k6c h GLU 69 Cb 1.33 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.80 3k6c h GLU 69 CO 0.14 0.17 0.46 2.35 -1.18 0.00 0.00 179.01 180.95 3k6c h TRP 70 N 0.17 0.84 -0.52 0.92 7.01 -1.69 0.39 115.95 123.07 3k6c h TRP 70 Ca 0.05 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 3k6c h TRP 70 Cb 0.02 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 26.81 3k6c h TRP 70 CO -0.05 0.33 0.27 0.82 -2.79 0.00 0.00 178.44 177.02 3k6c h ILE 71 N 0.77 1.18 -0.46 2.65 2.04 -0.97 -3.09 117.51 119.63 3k6c h ILE 71 Ca 0.40 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 3k6c h ILE 71 Cb 0.38 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3k6c h ILE 71 CO -0.26 0.20 0.27 0.08 0.00 0.00 0.00 178.15 178.44 3k6c h ARG 72 N 0.69 0.63 0.00 2.37 0.11 0.30 -1.55 114.38 116.94 3k6c h ARG 72 Ca 0.18 -0.06 -0.00 0.00 0.10 0.00 0.00 59.98 60.20 3k6c h ARG 72 Cb 0.07 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 31.02 3k6c h ARG 72 CO -0.03 0.48 -0.01 0.00 0.10 0.00 0.00 179.97 180.51 3k6c h ARG 73 N 0.61 0.00 0.00 0.08 3.08 -1.33 -2.06 114.38 114.76 3k6c h ARG 73 Ca 0.16 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 3k6c h ARG 73 Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 3k6c h ARG 73 CO -0.03 0.01 -0.05 0.00 -1.07 0.00 0.00 179.97 178.83 3k6c s ASP 75 N -2.91 2.78 0.40 0.00 -1.08 -0.67 -5.01 116.67 110.19 3k6c s ASP 75 Ca 0.32 -2.50 0.13 0.00 -0.52 0.00 0.00 52.55 49.99 3k6c s ASP 75 Cb 0.29 -0.54 0.96 0.00 -1.46 0.00 0.00 42.92 42.17 3k6c s ASP 75 CO 0.02 -0.27 1.90 -0.65 0.52 0.00 0.00 175.17 176.70 3k6c h PRO 76 N 6.62 0.51 -0.03 4.34 0.11 -1.89 0.22 132.00 141.87 3k6c h PRO 76 Ca 0.10 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.04 3k6c h PRO 76 Cb 0.94 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 3k6c h PRO 76 CO 0.33 0.34 -0.60 0.00 -0.21 0.00 0.00 178.00 177.86 3k6c h ALA 77 N 1.63 0.93 0.04 -0.75 0.00 -1.94 -0.77 119.26 118.39 3k6c h ALA 77 Ca 0.40 -0.54 -0.22 0.00 0.00 0.00 0.00 54.91 54.54 3k6c h ALA 77 Cb 0.79 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3k6c h ALA 77 CO -0.15 0.74 -1.00 0.35 0.00 0.00 0.00 179.25 179.18 3k6c h PHE 78 N 0.09 0.30 -0.78 0.00 3.57 -1.57 -3.12 116.94 115.42 3k6c h PHE 78 Ca -0.01 -0.19 -0.02 0.00 3.53 0.00 0.00 57.97 61.28 3k6c h PHE 78 Cb 1.08 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.76 3k6c h PHE 78 CO 0.01 1.07 0.39 0.22 -2.23 0.00 0.00 178.31 177.77 3k6c h ASP 79 N 0.08 1.00 0.68 0.41 3.58 -0.01 -2.64 116.42 119.52 3k6c h ASP 79 Ca -0.06 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.25 3k6c h ASP 79 Cb 1.69 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 42.48 3k6c h ASP 79 CO 0.15 0.84 -0.38 0.50 -2.88 0.00 0.00 179.24 177.46 3k6c h LYS 80 N 1.11 -0.95 -0.63 0.28 3.64 -1.19 -2.70 116.57 116.12 3k6c h LYS 80 Ca 0.27 0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.75 3k6c h LYS 80 Cb 0.09 0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 3k6c h LYS 80 CO -0.04 -0.64 0.42 0.93 -2.27 0.00 0.00 179.45 177.86 3k6c h GLU 81 N -0.99 0.73 -0.07 1.90 4.39 -1.47 -0.78 114.58 118.30 3k6c h GLU 81 Ca -0.09 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.43 3k6c h GLU 81 Cb 0.79 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 3k6c h GLU 81 CO 0.11 0.49 -0.57 -0.07 -1.16 0.00 0.00 179.01 177.80 3k6c h LEU 82 N 0.76 0.23 -0.72 1.33 3.38 -1.52 -2.19 115.31 116.58 3k6c h LEU 82 Ca 0.25 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 3k6c h LEU 82 Cb 0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3k6c h LEU 82 CO -0.07 0.75 -0.36 0.11 0.09 0.00 0.00 178.44 178.97 3k6c h LYS 83 N 0.16 0.57 -0.42 1.13 1.57 -0.83 -1.82 116.57 116.93 3k6c h LYS 83 Ca -0.00 -0.27 -0.15 0.00 -1.87 0.00 0.00 60.65 58.36 3k6c h LYS 83 Cb 1.06 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 3k6c h LYS 83 CO 0.09 0.84 -0.33 -0.44 -0.57 0.00 0.00 179.45 179.04 3k6c h ASP 84 N 0.48 1.01 0.00 0.86 3.32 -1.06 -3.39 116.42 117.63 3k6c h ASP 84 Ca 0.05 -0.44 -0.30 0.00 0.02 0.00 0.00 57.03 56.36 3k6c h ASP 84 Cb 0.84 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 40.05 3k6c h ASP 84 CO 0.07 1.24 -2.15 -1.22 -1.72 0.00 0.00 179.24 175.46 3k6c n TYR 85 N -4.07 0.00 -2.85 4.55 4.01 -0.84 -4.97 117.16 112.98 3k6c n TYR 85 Ca -0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.39 3k6c n TYR 85 Cb 0.52 -0.80 -0.07 0.00 -0.31 0.00 0.00 39.34 38.68 3k6c n TYR 85 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3k6c s LEU 86 N -5.60 3.99 -1.37 7.72 1.43 -0.68 -3.56 118.68 120.61 3k6c s LEU 86 Ca -0.16 1.66 -0.03 0.00 -1.03 0.00 0.00 54.13 54.57 3k6c s LEU 86 Cb 0.06 -4.44 -0.00 0.00 0.03 0.00 0.00 46.19 41.83 3k6c s LEU 86 CO 0.60 -0.32 0.47 0.49 0.23 0.00 0.00 176.35 177.82 3k6c n PHE 87 N -0.50 -1.68 -4.48 0.29 3.72 -1.26 -4.90 117.46 108.65 3k6c n PHE 87 Ca 0.06 0.71 -0.24 0.00 -0.05 0.00 0.00 57.45 57.93 3k6c n PHE 87 Cb 0.54 -3.72 -0.10 0.00 -0.94 0.00 0.00 39.48 35.25 3k6c n PHE 87 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3k6c s THR 88 N -3.89 2.10 -0.40 4.37 -4.23 -1.23 -5.05 115.64 107.31 3k6c s THR 88 Ca 0.06 -2.23 0.04 0.00 -1.18 0.00 0.00 61.69 58.37 3k6c s THR 88 Cb -0.02 -2.46 0.09 0.00 1.34 0.00 0.00 72.50 71.45 3k6c s THR 88 CO 0.88 -0.31 0.97 -0.46 -0.54 0.00 0.00 174.62 175.17 3k6c n ASN 89 N -0.66 2.08 -4.84 3.99 0.23 -1.26 -5.04 115.26 109.75 3k6c n ASN 89 Ca -0.05 -1.78 -0.32 0.00 -0.53 0.00 0.00 54.58 51.90 3k6c n ASN 89 Cb 0.62 -0.06 -0.06 0.00 -2.08 0.00 0.00 39.78 38.20 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 -0.82 4.06 0.54 -3.83 -2.85 -1.26 -5.03 119.74 110.55 3k6c s LYS 90 Ca 0.08 0.83 -0.21 0.00 -1.00 0.00 0.00 55.97 55.67 3k6c s LYS 90 Cb 0.04 -2.31 -0.06 0.00 -2.06 0.00 0.00 37.83 33.44 3k6c s LYS 90 CO 0.06 0.04 1.14 -2.30 0.10 0.00 0.00 175.35 174.39 3k6c n PRO 91 N -0.64 1.31 -0.08 1.78 -0.02 -1.26 -4.98 135.00 131.12 3k6c n PRO 91 Ca 0.05 0.49 -0.09 0.00 -2.02 0.00 0.00 63.50 61.93 3k6c n PRO 91 Cb 0.54 -2.31 -0.05 0.00 -0.02 0.00 0.00 33.50 31.66 3k6c n PRO 91 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3k6c h ILE 92 N 1.08 0.36 -3.16 4.25 1.08 -2.00 -3.50 117.51 115.62 3k6c h ILE 92 Ca -0.49 -1.40 -0.09 0.00 -0.39 0.00 0.00 64.86 62.50 3k6c h ILE 92 Cb 1.33 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 35.86 3k6c h ILE 92 CO 0.55 0.12 -0.08 0.00 -0.69 0.00 0.00 178.15 178.05 3k6c n ALA 93 N -3.38 0.10 -0.34 1.87 0.00 -1.26 -5.18 120.51 112.31 3k6c n ALA 93 Ca -0.13 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 52.96 3k6c n ALA 93 Cb 0.35 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3k6c n ALA 93 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11