#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 0.56 3.55 6.12 0.00 -1.26 -5.03 105.19 109.14 3k6c n GLY 5 Ca 0.00 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 3.21 -0.22 1.61 2.02 -1.26 -4.94 117.35 115.77 3k6c s TYR 6 Ca 0.00 0.03 0.21 0.00 -0.37 0.00 0.00 57.07 56.94 3k6c s TYR 6 Cb 0.00 -2.64 -0.30 0.00 -0.40 0.00 0.00 41.96 38.61 3k6c s TYR 6 CO 0.00 -0.39 0.54 1.19 -1.57 0.00 0.00 175.55 175.32 3k6c n PHE 7 N 5.36 0.00 -4.28 2.71 3.72 -1.26 -4.89 117.46 118.82 3k6c n PHE 7 Ca -0.09 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.02 3k6c n PHE 7 Cb 0.50 -0.38 -0.10 0.00 -0.94 0.00 0.00 39.48 38.55 3k6c n PHE 7 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3k6c s GLU 8 N -3.34 1.95 0.19 -1.08 0.41 -1.26 -5.09 118.70 110.47 3k6c s GLU 8 Ca -0.04 -1.17 -0.33 0.00 -0.41 0.00 0.00 54.97 53.01 3k6c s GLU 8 Cb 0.14 -2.17 -0.14 0.00 -1.78 0.00 0.00 34.13 30.18 3k6c s GLU 8 CO 0.86 0.47 1.48 -2.30 -0.49 0.00 0.00 175.26 175.28 3k6c n PRO 9 N 0.54 2.00 -0.23 0.39 -0.02 -1.26 -4.84 135.00 131.57 3k6c n PRO 9 Ca -0.14 0.72 0.20 0.00 -2.02 0.00 0.00 63.50 62.26 3k6c n PRO 9 Cb 0.53 -2.42 0.53 0.00 -0.02 0.00 0.00 33.50 32.12 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 3.35 0.68 0.00 3.45 1.35 -1.95 -0.06 112.91 119.71 3k6c h THR 10 Ca -0.45 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3k6c h THR 10 Cb 1.27 0.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3k6c h THR 10 CO 0.82 0.07 0.00 -0.61 -0.25 0.00 0.00 175.52 175.55 3k6c h GLN 11 N 0.37 0.00 -0.01 4.72 4.15 -2.01 -1.88 115.11 120.45 3k6c h GLN 11 Ca 0.46 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.88 3k6c h GLN 11 Cb 1.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.88 3k6c h GLN 11 CO -0.16 0.00 -0.51 0.39 -1.93 0.00 0.00 178.83 176.62 3k6c n GLU 12 N -2.93 1.08 -3.79 1.69 1.02 -0.04 -4.91 120.64 112.76 3k6c n GLU 12 Ca -0.02 -0.88 -0.36 0.00 -0.02 0.00 0.00 57.16 55.88 3k6c n GLU 12 Cb 0.11 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 29.99 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 -2.53 4.39 0.73 -4.62 1.43 -0.71 -5.05 118.68 112.33 3k6c s LEU 13 Ca 0.18 0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 53.73 3k6c s LEU 13 Cb 0.18 -2.40 0.03 0.00 0.03 0.00 0.00 46.19 44.03 3k6c s LEU 13 CO 0.60 0.33 1.07 -0.94 0.23 0.00 0.00 176.35 177.64 3k6c s SER 14 N -1.36 4.96 0.21 2.29 1.04 -1.26 -4.90 113.70 114.67 3k6c s SER 14 Ca 0.22 1.68 -0.10 0.00 0.48 0.00 0.00 55.95 58.22 3k6c s SER 14 Cb -0.13 -2.47 0.28 0.00 0.10 0.00 0.00 66.02 63.79 3k6c s SER 14 CO 0.11 -1.72 1.71 0.44 0.98 0.00 0.00 173.24 174.76 3k6c h ASP 15 N -0.91 0.03 1.01 7.02 3.32 -1.98 -2.48 116.42 122.42 3k6c h ASP 15 Ca -0.44 0.10 -0.09 0.00 0.02 0.00 0.00 57.03 56.62 3k6c h ASP 15 Cb 1.22 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.90 3k6c h ASP 15 CO 0.55 0.02 -0.43 1.05 -1.72 0.00 0.00 179.24 178.71 3k6c h GLU 16 N 0.27 0.00 -0.64 3.56 4.11 -1.99 0.66 114.58 120.55 3k6c h GLU 16 Ca 0.30 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.68 3k6c h GLU 16 Cb 0.44 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 3k6c h GLU 16 CO -0.38 0.43 0.18 1.15 0.07 0.00 0.00 179.01 180.47 3k6c h THR 17 N 0.00 1.24 -0.14 -1.06 2.02 -1.94 -3.20 112.91 109.84 3k6c h THR 17 Ca -0.00 -0.86 -0.15 0.00 0.77 0.00 0.00 66.41 66.16 3k6c h THR 17 Cb 1.06 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 3k6c h THR 17 CO 0.06 0.33 -0.56 0.03 0.37 0.00 0.00 175.52 175.75 3k6c h ARG 18 N 0.95 0.42 -0.95 6.66 3.08 -0.56 0.12 114.38 124.10 3k6c h ARG 18 Ca 0.21 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3k6c h ARG 18 Cb 0.30 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3k6c h ARG 18 CO -0.01 0.87 0.00 -0.25 -1.07 0.00 0.00 179.97 179.51 3k6c n ASP 19 N -3.93 0.79 0.00 7.04 9.92 0.04 -0.52 116.55 129.89 3k6c n ASP 19 Ca -0.03 -0.83 0.00 0.00 -0.53 0.00 0.00 54.79 53.41 3k6c n ASP 19 Cb 0.60 -0.21 0.00 0.00 -0.64 0.00 0.00 41.12 40.87 3k6c n ASP 19 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 3k6c n HIS 21 N 0.52 0.00 -0.27 1.24 -0.00 0.41 -1.11 115.22 116.01 3k6c n HIS 21 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.74 3k6c n HIS 21 Cb 0.15 0.00 0.15 0.00 -0.00 0.00 0.00 29.99 30.29 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 0.70 -0.14 1.57 3.08 -1.06 -0.95 114.38 117.58 3k6c h ARG 22 Ca 0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3k6c h ARG 22 Cb 0.00 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3k6c h ARG 22 CO 0.00 0.46 0.06 0.00 -1.07 0.00 0.00 179.97 179.42 3k6c h ALA 23 N 1.44 0.19 0.03 0.04 0.00 -1.40 -2.09 119.26 117.46 3k6c h ALA 23 Ca 0.37 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3k6c h ALA 23 Cb 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3k6c h ALA 23 CO -0.25 -0.23 -0.01 0.82 0.00 0.00 0.00 179.25 179.58 3k6c h ILE 24 N 0.08 1.23 -0.82 0.00 2.04 -1.73 -1.57 117.51 116.74 3k6c h ILE 24 Ca 0.05 -0.81 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 3k6c h ILE 24 Cb 0.17 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 3k6c h ILE 24 CO -0.00 0.21 0.34 -0.29 0.00 0.00 0.00 178.15 178.41 3k6c h ILE 25 N -0.39 1.26 -0.72 -0.67 2.10 -1.26 0.41 117.51 118.25 3k6c h ILE 25 Ca -0.00 -0.81 -0.03 0.00 1.08 0.00 0.00 64.86 65.10 3k6c h ILE 25 Cb 0.36 0.27 -0.03 0.00 -1.09 0.00 0.00 36.82 36.33 3k6c h ILE 25 CO 0.01 0.33 0.32 0.28 -1.08 0.00 0.00 178.15 178.01 3k6c h SER 26 N 1.18 0.95 -0.56 2.19 0.02 -1.31 -0.74 113.55 115.28 3k6c h SER 26 Ca 0.27 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 3k6c h SER 26 Cb 0.19 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 3k6c h SER 26 CO -0.03 0.82 0.24 0.25 -1.14 0.00 0.00 176.83 176.97 3k6c h LEU 27 N 1.03 0.77 -1.15 5.07 5.85 -0.43 -0.53 115.31 125.92 3k6c h LEU 27 Ca 0.25 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 3k6c h LEU 27 Cb 0.15 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3k6c h LEU 27 CO -0.03 0.72 0.06 0.03 -0.34 0.00 0.00 178.44 178.88 3k6c h ARG 28 N 0.77 0.65 -0.28 1.25 3.08 -0.45 -0.47 114.38 118.93 3k6c h ARG 28 Ca 0.19 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 3k6c h ARG 28 Cb 0.18 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3k6c h ARG 28 CO -0.02 0.63 -0.19 0.93 -1.07 0.00 0.00 179.97 180.25 3k6c h GLU 29 N 0.62 0.62 -0.76 0.04 5.08 -0.76 -0.98 114.58 118.44 3k6c h GLU 29 Ca 0.14 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 3k6c h GLU 29 Cb 0.31 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3k6c h GLU 29 CO 0.00 0.89 0.30 0.93 -1.00 0.00 0.00 179.01 180.13 3k6c h GLU 30 N 0.36 1.13 -0.59 2.33 4.39 -0.78 -0.51 114.58 120.91 3k6c h GLU 30 Ca 0.06 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.51 3k6c h GLU 30 Cb 0.73 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 3k6c h GLU 30 CO 0.05 0.92 0.23 -0.07 -1.16 0.00 0.00 179.01 178.99 3k6c h LEU 31 N 1.09 0.82 -0.53 1.33 3.38 -0.93 -1.80 115.31 118.67 3k6c h LEU 31 Ca 0.25 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.12 3k6c h LEU 31 Cb 0.21 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 3k6c h LEU 31 CO -0.02 0.77 0.19 -0.08 0.09 0.00 0.00 178.44 179.39 3k6c h GLU 32 N 0.82 0.36 -0.54 1.13 4.81 -0.93 -1.49 114.58 118.75 3k6c h GLU 32 Ca 0.20 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 3k6c h GLU 32 Cb 0.21 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 3k6c h GLU 32 CO -0.02 0.24 0.24 0.00 -0.73 0.00 0.00 179.01 178.75 3k6c h ALA 33 N 1.36 1.42 -0.05 2.92 0.00 -0.64 0.19 119.26 124.46 3k6c h ALA 33 Ca 0.26 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3k6c h ALA 33 Cb 0.29 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3k6c h ALA 33 CO -0.26 0.45 0.03 0.28 0.00 0.00 0.00 179.25 179.75 3k6c h VAL 34 N 0.76 1.04 -0.44 0.00 2.07 -1.07 -0.66 116.25 117.95 3k6c h VAL 34 Ca 0.19 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3k6c h VAL 34 Cb 0.10 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3k6c h VAL 34 CO -0.02 0.03 0.29 -0.78 0.02 0.00 0.00 177.57 177.11 3k6c h ASP 35 N 0.03 0.51 -0.06 0.57 3.58 -0.49 -0.59 116.42 119.97 3k6c h ASP 35 Ca 0.02 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 3k6c h ASP 35 Cb 0.03 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 40.95 3k6c h ASP 35 CO -0.00 0.38 -0.07 -0.07 -2.88 0.00 0.00 179.24 176.60 3k6c h LEU 36 N 0.60 0.16 -1.35 2.28 3.38 -0.60 -1.18 115.31 118.60 3k6c h LEU 36 Ca 0.16 -0.50 0.02 0.00 0.09 0.00 0.00 57.88 57.65 3k6c h LEU 36 Cb -0.05 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3k6c h LEU 36 CO -0.03 0.63 0.45 1.88 0.09 0.00 0.00 178.44 181.46 3k6c h TYR 37 N -0.31 0.83 0.32 1.13 0.05 -1.07 0.11 116.97 118.04 3k6c h TYR 37 Ca 0.01 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 3k6c h TYR 37 Cb 0.59 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.05 3k6c h TYR 37 CO 0.10 0.51 -0.15 -0.97 -1.05 0.00 0.00 178.16 176.59 3k6c h ASN 38 N 0.88 -0.36 -0.91 3.88 -1.24 -0.80 -0.37 115.58 116.67 3k6c h ASN 38 Ca 0.26 0.00 0.11 0.00 0.71 0.00 0.00 56.30 57.38 3k6c h ASN 38 Cb -0.04 0.09 -0.08 0.00 0.73 0.00 0.00 38.32 39.03 3k6c h ASN 38 CO -0.06 -0.24 0.54 1.56 -1.29 0.00 0.00 177.43 177.94 3k6c h GLN 39 N -0.44 0.85 -0.23 6.67 4.20 -0.69 -1.71 115.11 123.76 3k6c h GLN 39 Ca -0.04 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.53 3k6c h GLN 39 Cb 0.34 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 3k6c h GLN 39 CO 0.07 0.56 -0.19 0.00 -0.67 0.00 0.00 178.83 178.60 3k6c h ARG 40 N 0.87 0.54 -0.48 1.46 3.08 -0.54 -2.31 114.38 116.99 3k6c h ARG 40 Ca 0.45 -0.27 0.09 0.00 0.07 0.00 0.00 59.98 60.32 3k6c h ARG 40 Cb 0.44 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.42 3k6c h ARG 40 CO -0.26 0.85 0.01 0.28 -1.07 0.00 0.00 179.97 179.78 3k6c h VAL 41 N 0.23 0.64 -0.08 2.04 2.07 -0.88 0.11 116.25 120.39 3k6c h VAL 41 Ca 0.04 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3k6c h VAL 41 Cb 0.73 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3k6c h VAL 41 CO 0.05 0.02 0.06 -1.13 0.02 0.00 0.00 177.57 176.59 3k6c h ASN 42 N 0.13 0.00 0.00 0.57 -0.73 -0.99 -3.01 115.58 111.55 3k6c h ASN 42 Ca 0.24 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.41 3k6c h ASN 42 Cb 0.36 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.95 3k6c h ASN 42 CO -0.39 0.00 -1.68 0.00 -0.37 0.00 0.00 177.43 174.99 3k6c n ALA 43 N -2.55 3.09 -1.74 1.57 0.00 -0.90 -5.02 120.51 114.96 3k6c n ALA 43 Ca -0.01 -0.48 -0.37 0.00 0.00 0.00 0.00 53.44 52.58 3k6c n ALA 43 Cb 0.16 -0.67 0.06 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.64 0.75 -3.00 0.00 4.76 -1.26 -5.01 118.16 112.76 3k6c n LYS 45 Ca 0.14 0.08 -0.40 0.00 -2.87 0.00 0.00 58.31 55.26 3k6c n LYS 45 Cb 0.47 -1.40 -0.05 0.00 -1.84 0.00 0.00 35.03 32.21 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 -5.68 7.06 0.22 4.39 -1.08 -1.26 -4.95 116.67 115.37 3k6c s ASP 46 Ca -0.22 1.28 -0.08 0.00 -0.52 0.00 0.00 52.55 53.01 3k6c s ASP 46 Cb 0.06 -2.44 0.17 0.00 -1.46 0.00 0.00 42.92 39.26 3k6c s ASP 46 CO 0.52 -0.11 1.81 0.11 0.52 0.00 0.00 175.17 178.02 3k6c h LYS 47 N 6.58 1.20 0.04 4.34 1.57 -1.98 0.18 116.57 128.50 3k6c h LYS 47 Ca -0.42 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.18 3k6c h LYS 47 Cb 1.20 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.30 3k6c h LYS 47 CO 0.74 0.93 -0.02 0.93 -0.57 0.00 0.00 179.45 181.47 3k6c h GLU 48 N 1.18 -0.05 -0.44 3.15 3.07 -2.00 -2.05 114.58 117.45 3k6c h GLU 48 Ca 0.28 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 59.19 3k6c h GLU 48 Cb 0.13 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.01 3k6c h GLU 48 CO -0.03 0.39 0.19 1.25 -1.40 0.00 0.00 179.01 179.40 3k6c h LEU 49 N -0.51 0.24 -0.56 1.33 5.85 -1.94 -1.75 115.31 117.97 3k6c h LEU 49 Ca -0.01 0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.86 3k6c h LEU 49 Cb 0.46 -0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.38 3k6c h LEU 49 CO 0.01 0.18 -0.27 0.50 -0.34 0.00 0.00 178.44 178.51 3k6c h LYS 50 N 0.38 -0.12 -0.56 1.25 3.64 -0.51 -0.01 116.57 120.64 3k6c h LYS 50 Ca 0.20 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 3k6c h LYS 50 Cb 0.15 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 3k6c h LYS 50 CO -0.17 -0.08 0.28 0.00 -2.27 0.00 0.00 179.45 177.21 3k6c h ALA 51 N 1.17 0.73 -0.36 5.00 0.00 -0.61 -0.88 119.26 124.31 3k6c h ALA 51 Ca 0.25 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3k6c h ALA 51 Cb 0.52 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 3k6c h ALA 51 CO -0.64 0.28 -0.17 0.82 0.00 0.00 0.00 179.25 179.54 3k6c h ILE 52 N 0.76 0.49 -0.01 0.00 2.04 -0.67 0.20 117.51 120.32 3k6c h ILE 52 Ca 0.19 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.06 3k6c h ILE 52 Cb 0.11 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3k6c h ILE 52 CO -0.03 0.00 -0.02 -0.07 0.00 0.00 0.00 178.15 178.03 3k6c h LEU 53 N -0.11 -0.07 -1.06 1.44 3.38 -0.09 -2.07 115.31 116.74 3k6c h LEU 53 Ca 0.18 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.17 3k6c h LEU 53 Cb 0.38 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 3k6c h LEU 53 CO -0.43 -0.04 0.62 0.00 0.09 0.00 0.00 178.44 178.69 3k6c h ALA 54 N 0.97 1.31 -0.03 1.53 0.00 -1.03 -1.34 119.26 120.68 3k6c h ALA 54 Ca 0.01 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3k6c h ALA 54 Cb 0.06 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3k6c h ALA 54 CO -0.03 0.63 -0.16 1.25 0.00 0.00 0.00 179.25 180.94 3k6c h HIS 55 N 1.29 -0.47 -0.54 0.00 -0.00 -0.30 -2.52 115.15 112.61 3k6c h HIS 55 Ca 0.35 0.02 0.11 0.00 -0.00 0.00 0.00 60.37 60.84 3k6c h HIS 55 Cb -0.14 0.21 -0.10 0.00 -0.00 0.00 0.00 27.41 27.38 3k6c h HIS 55 CO 0.00 -0.16 -0.08 -0.91 -0.00 0.00 0.00 177.93 176.78 3k6c h ASN 56 N -0.18 -0.39 -0.71 3.26 2.35 -1.29 -1.15 115.58 117.49 3k6c h ASN 56 Ca 0.01 0.15 0.15 0.00 -0.55 0.00 0.00 56.30 56.05 3k6c h ASN 56 Cb 0.20 0.29 -0.13 0.00 0.05 0.00 0.00 38.32 38.73 3k6c h ASN 56 CO -0.12 -0.14 -0.13 -0.09 -1.65 0.00 0.00 177.43 175.30 3k6c h ARG 57 N 0.05 0.02 -0.38 0.81 2.43 -1.26 -0.81 114.38 115.25 3k6c h ARG 57 Ca 0.27 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.29 3k6c h ARG 57 Cb 0.41 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3k6c h ARG 57 CO -0.51 0.02 -0.33 -0.44 -1.51 0.00 0.00 179.97 177.19 3k6c h ASP 58 N 0.03 0.89 -0.60 -3.80 3.32 -0.76 -2.67 116.42 112.83 3k6c h ASP 58 Ca 0.35 -0.38 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 3k6c h ASP 58 Cb 0.56 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3k6c h ASP 58 CO -0.70 1.14 0.06 -0.33 -1.72 0.00 0.00 179.24 177.69 3k6c h GLU 59 N 0.71 1.03 -0.23 3.56 5.08 -1.11 -2.28 114.58 121.33 3k6c h GLU 59 Ca 0.07 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 3k6c h GLU 59 Cb 0.89 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3k6c h GLU 59 CO 0.08 0.97 0.03 0.93 -1.00 0.00 0.00 179.01 180.02 3k6c h GLU 60 N 0.96 0.33 -0.65 2.33 4.39 -1.01 -1.08 114.58 119.85 3k6c h GLU 60 Ca 0.19 -0.05 0.10 0.00 0.34 0.00 0.00 59.36 59.94 3k6c h GLU 60 Cb 0.47 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 3k6c h GLU 60 CO 0.02 0.34 0.44 0.87 -1.16 0.00 0.00 179.01 179.51 3k6c h LYS 61 N 0.33 0.48 -0.12 2.33 1.57 -1.06 0.20 116.57 120.29 3k6c h LYS 61 Ca 0.08 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3k6c h LYS 61 Cb 0.18 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3k6c h LYS 61 CO 0.00 0.32 -0.08 1.49 -0.57 0.00 0.00 179.45 180.60 3k6c h GLU 62 N 0.49 0.27 -0.84 3.15 4.81 -1.12 -1.86 114.58 119.49 3k6c h GLU 62 Ca 0.30 -0.13 0.08 0.00 -0.13 0.00 0.00 59.36 59.48 3k6c h GLU 62 Cb 0.53 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.84 3k6c h GLU 62 CO -0.09 0.64 0.50 0.45 -0.73 0.00 0.00 179.01 179.77 3k6c h HIS 63 N -0.10 0.91 -0.69 0.92 3.86 -0.19 -0.15 115.15 119.72 3k6c h HIS 63 Ca 0.02 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.21 3k6c h HIS 63 Cb 0.57 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 3k6c h HIS 63 CO 0.08 0.41 0.24 0.00 0.86 0.00 0.00 177.93 179.51 3k6c h ALA 64 N 1.43 1.12 0.00 2.45 0.00 -0.62 -2.95 119.26 120.69 3k6c h ALA 64 Ca 0.39 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3k6c h ALA 64 Cb 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3k6c h ALA 64 CO -0.21 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.65 3k6c n ALA 65 N -2.45 1.67 0.00 0.00 0.00 -0.07 -1.76 120.51 117.90 3k6c n ALA 65 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3k6c n ALA 65 Cb 0.20 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 0.64 0.00 0.08 0.00 4.77 -1.12 -1.40 117.00 119.97 3k6c n LEU 67 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 3k6c n LEU 67 Cb 0.12 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.29 3k6c n LEU 67 CO 0.00 0.00 0.42 0.25 -1.33 0.00 0.00 177.39 176.73 3k6c h LEU 68 N 0.00 0.31 -1.03 2.23 5.85 -1.63 -1.44 115.31 119.60 3k6c h LEU 68 Ca 0.00 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 3k6c h LEU 68 Cb 0.00 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3k6c h LEU 68 CO 0.00 0.89 0.45 -0.08 -0.34 0.00 0.00 178.44 179.36 3k6c h GLU 69 N 0.19 1.13 -0.22 1.25 4.57 -1.49 -1.37 114.58 118.63 3k6c h GLU 69 Ca -0.02 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.02 3k6c h GLU 69 Cb 1.20 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.56 3k6c h GLU 69 CO 0.11 0.82 0.04 2.35 -1.18 0.00 0.00 179.01 181.15 3k6c h TRP 70 N 1.13 0.39 -0.46 0.92 7.01 -1.66 -2.58 115.95 120.70 3k6c h TRP 70 Ca 0.29 -0.05 0.03 0.00 2.11 0.00 0.00 58.89 61.27 3k6c h TRP 70 Cb 0.02 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 26.94 3k6c h TRP 70 CO 0.01 0.48 0.25 0.82 -2.79 0.00 0.00 178.44 177.21 3k6c h ILE 71 N 0.18 1.00 -0.14 2.65 2.04 -1.08 -2.92 117.51 119.24 3k6c h ILE 71 Ca 0.07 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 3k6c h ILE 71 Cb 0.30 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3k6c h ILE 71 CO 0.00 0.09 -0.04 0.08 0.00 0.00 0.00 178.15 178.28 3k6c h ARG 72 N 0.50 0.21 0.00 2.37 0.11 -1.05 -2.34 114.38 114.19 3k6c h ARG 72 Ca 0.19 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.24 3k6c h ARG 72 Cb 0.06 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.11 3k6c h ARG 72 CO -0.11 0.27 0.00 0.54 0.10 0.00 0.00 179.97 180.77 3k6c n ARG 73 N -4.37 0.35 -1.12 0.08 1.74 -0.99 -3.01 116.66 109.35 3k6c n ARG 73 Ca -0.01 0.04 0.03 0.00 -0.77 0.00 0.00 57.85 57.14 3k6c n ARG 73 Cb 0.20 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.16 3k6c n ARG 73 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k6c s ASP 75 N -1.82 0.87 0.59 0.00 -1.08 -0.91 -5.01 116.67 109.30 3k6c s ASP 75 Ca 0.25 -2.43 0.29 0.00 -0.52 0.00 0.00 52.55 50.13 3k6c s ASP 75 Cb 0.27 0.26 1.51 0.00 -1.46 0.00 0.00 42.92 43.50 3k6c s ASP 75 CO -0.11 -0.17 1.94 -0.65 0.52 0.00 0.00 175.17 176.70 3k6c h PRO 76 N 5.88 0.00 -0.00 4.34 0.11 -1.89 0.20 132.00 140.64 3k6c h PRO 76 Ca 0.17 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.11 3k6c h PRO 76 Cb 0.99 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 3k6c h PRO 76 CO 0.25 0.00 -0.79 0.00 -0.21 0.00 0.00 178.00 177.26 3k6c h ALA 77 N 1.52 0.69 -0.01 -0.75 0.00 -1.95 -0.78 119.26 117.99 3k6c h ALA 77 Ca 0.19 -0.70 -0.16 0.00 0.00 0.00 0.00 54.91 54.24 3k6c h ALA 77 Cb 1.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3k6c h ALA 77 CO -0.00 0.94 -0.75 0.35 0.00 0.00 0.00 179.25 179.79 3k6c h PHE 78 N 0.04 0.11 0.46 0.00 3.57 -0.99 -3.21 116.94 116.92 3k6c h PHE 78 Ca -0.02 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 3k6c h PHE 78 Cb 1.38 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.11 3k6c h PHE 78 CO 0.01 0.79 -0.22 0.22 -2.23 0.00 0.00 178.31 176.88 3k6c h ASP 79 N 0.05 -0.53 -0.83 0.41 1.82 -0.90 -0.69 116.42 115.76 3k6c h ASP 79 Ca -0.02 0.02 0.25 0.00 -0.39 0.00 0.00 57.03 56.89 3k6c h ASP 79 Cb 1.31 0.14 -0.15 0.00 0.68 0.00 0.00 39.33 41.31 3k6c h ASP 79 CO 0.10 -0.27 0.09 1.17 -1.61 0.00 0.00 179.24 178.73 3k6c n LYS 80 N -4.27 -0.06 0.08 0.28 4.81 -0.33 0.11 118.16 118.78 3k6c n LYS 80 Ca -0.08 1.23 -0.10 0.00 -0.87 0.00 0.00 58.31 58.49 3k6c n LYS 80 Cb 0.25 -1.99 -0.03 0.00 0.02 0.00 0.00 35.03 33.28 3k6c n LYS 80 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3k6c h GLU 81 N 0.00 0.22 -0.19 1.64 4.39 -1.55 -3.03 114.58 116.06 3k6c h GLU 81 Ca 0.54 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.93 3k6c h GLU 81 Cb 1.18 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.90 3k6c h GLU 81 CO -0.76 0.99 -0.11 -0.07 -1.16 0.00 0.00 179.01 177.91 3k6c h LEU 82 N 0.12 0.43 -1.39 1.33 3.38 0.24 -2.97 115.31 116.45 3k6c h LEU 82 Ca -0.05 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.53 3k6c h LEU 82 Cb 1.56 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.15 3k6c h LEU 82 CO 0.14 0.76 0.44 0.11 0.09 0.00 0.00 178.44 179.98 3k6c h LYS 83 N 0.10 0.77 -0.13 1.13 1.57 -0.69 -0.79 116.57 118.52 3k6c h LYS 83 Ca 0.04 -0.05 -0.19 0.00 -1.87 0.00 0.00 60.65 58.58 3k6c h LYS 83 Cb 0.60 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3k6c h LYS 83 CO 0.03 0.51 -0.70 -0.44 -0.57 0.00 0.00 179.45 178.27 3k6c h ASP 84 N 0.79 0.69 0.00 0.86 3.32 -1.49 -3.38 116.42 117.21 3k6c h ASP 84 Ca 0.27 -0.43 -0.33 0.00 0.02 0.00 0.00 57.03 56.57 3k6c h ASP 84 Cb 0.09 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.38 3k6c h ASP 84 CO -0.08 1.19 -2.23 -1.22 -1.72 0.00 0.00 179.24 175.18 3k6c n TYR 85 N -3.90 0.00 -2.18 4.55 4.01 -1.02 -4.93 117.16 113.68 3k6c n TYR 85 Ca -0.05 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.31 3k6c n TYR 85 Cb 0.70 -0.87 -0.01 0.00 -0.31 0.00 0.00 39.34 38.85 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 -5.59 4.11 -0.81 7.72 1.43 -0.33 -3.86 118.68 121.35 3k6c s LEU 86 Ca -0.15 2.44 -0.01 0.00 -1.03 0.00 0.00 54.13 55.38 3k6c s LEU 86 Cb 0.06 -4.09 -0.00 0.00 0.03 0.00 0.00 46.19 42.19 3k6c s LEU 86 CO 0.66 -0.88 0.66 0.49 0.23 0.00 0.00 176.35 177.51 3k6c n PHE 87 N -0.20 -2.46 -4.04 0.29 3.72 -1.26 -4.94 117.46 108.57 3k6c n PHE 87 Ca 0.06 0.95 -0.08 0.00 -0.05 0.00 0.00 57.45 58.33 3k6c n PHE 87 Cb 0.46 -3.41 -0.09 0.00 -0.94 0.00 0.00 39.48 35.50 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 -3.02 0.19 -0.16 4.37 -4.23 -1.25 -5.07 115.64 106.47 3k6c s THR 88 Ca 0.03 -1.68 0.03 0.00 -1.18 0.00 0.00 61.69 58.89 3k6c s THR 88 Cb -0.01 -1.52 -0.23 0.00 1.34 0.00 0.00 72.50 72.09 3k6c s THR 88 CO 0.83 -0.89 0.19 0.59 -0.54 0.00 0.00 174.62 174.80 3k6c n ASN 89 N 0.06 1.59 -4.66 3.99 3.02 -1.26 -5.01 115.26 112.98 3k6c n ASN 89 Ca -0.14 0.11 -0.44 0.00 -0.03 0.00 0.00 54.58 54.08 3k6c n ASN 89 Cb 0.61 -0.34 -0.01 0.00 -0.61 0.00 0.00 39.78 39.43 3k6c n ASN 89 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3k6c n LYS 90 N -3.24 1.88 -1.61 3.52 4.81 -1.26 -4.84 118.16 117.42 3k6c n LYS 90 Ca -0.34 0.66 -0.43 0.00 -0.87 0.00 0.00 58.31 57.33 3k6c n LYS 90 Cb 1.05 -2.20 -0.03 0.00 0.02 0.00 0.00 35.03 33.86 3k6c n LYS 90 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3k6c n PRO 91 N 0.94 2.13 -0.36 1.64 -0.02 -1.26 -4.82 135.00 133.25 3k6c n PRO 91 Ca 0.08 0.64 0.27 0.00 -2.02 0.00 0.00 63.50 62.47 3k6c n PRO 91 Cb 0.34 -3.15 0.55 0.00 -0.02 0.00 0.00 33.50 31.22 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 6.80 0.38 -4.39 4.25 2.04 -1.98 -3.41 117.51 121.19 3k6c h ILE 92 Ca -0.43 -0.10 -0.25 0.00 1.00 0.00 0.00 64.86 65.09 3k6c h ILE 92 Cb 1.24 0.07 -0.15 0.00 -0.74 0.00 0.00 36.82 37.24 3k6c h ILE 92 CO 0.96 0.05 -0.63 0.00 0.00 0.00 0.00 178.15 178.53 3k6c s ALA 93 N -5.43 1.20 0.00 1.87 0.00 -1.26 -5.17 121.76 112.96 3k6c s ALA 93 Ca -0.08 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.21 3k6c s ALA 93 Cb 0.27 1.18 0.00 0.00 0.00 0.00 0.00 23.12 24.57 3k6c s ALA 93 CO 0.80 -0.53 0.00 1.58 0.00 0.00 0.00 175.76 177.61