#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 0.64 3.53 6.12 0.00 -1.26 -5.03 105.19 109.19 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 -2.84 3.10 -0.30 1.61 2.02 -1.26 -4.92 117.35 114.75 3k6c s TYR 6 Ca 0.00 0.05 0.23 0.00 -0.37 0.00 0.00 57.07 56.97 3k6c s TYR 6 Cb 0.00 -3.22 0.05 0.00 -0.40 0.00 0.00 41.96 38.38 3k6c s TYR 6 CO 0.00 -0.77 1.08 0.74 -1.57 0.00 0.00 175.55 175.03 3k6c h PHE 7 N 8.73 0.00 -3.76 2.71 -1.00 -2.05 -3.46 116.94 118.10 3k6c h PHE 7 Ca -0.26 0.00 -0.68 0.00 2.81 0.00 0.00 57.97 59.84 3k6c h PHE 7 Cb 1.10 0.00 -0.19 0.00 3.61 0.00 0.00 35.95 40.47 3k6c h PHE 7 CO 0.73 0.00 -0.81 -1.21 -1.61 0.00 0.00 178.31 175.41 3k6c s GLU 8 N -3.33 1.76 0.23 1.51 0.41 -1.26 -5.08 118.70 112.94 3k6c s GLU 8 Ca 0.01 -1.18 -0.32 0.00 -0.41 0.00 0.00 54.97 53.07 3k6c s GLU 8 Cb 0.10 -2.10 -0.13 0.00 -1.78 0.00 0.00 34.13 30.22 3k6c s GLU 8 CO 0.78 0.48 1.44 -2.30 -0.49 0.00 0.00 175.26 175.18 3k6c n PRO 9 N 0.86 2.09 -0.18 0.39 -0.02 -1.26 -4.77 135.00 132.11 3k6c n PRO 9 Ca -0.16 0.75 0.14 0.00 -2.02 0.00 0.00 63.50 62.21 3k6c n PRO 9 Cb 0.53 -2.43 0.48 0.00 -0.02 0.00 0.00 33.50 32.06 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 3.15 0.81 0.00 3.45 1.35 -1.95 -0.88 112.91 118.84 3k6c h THR 10 Ca -0.45 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 3k6c h THR 10 Cb 1.27 0.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 3k6c h THR 10 CO 0.78 0.09 0.00 0.00 -0.25 0.00 0.00 175.52 176.13 3k6c n GLN 11 N -4.49 0.06 -0.10 4.72 0.00 -1.26 -2.23 117.38 114.08 3k6c n GLN 11 Ca 0.14 0.30 0.12 0.00 0.00 0.00 0.00 57.00 57.57 3k6c n GLN 11 Cb 0.50 -1.61 0.22 0.00 0.00 0.00 0.00 30.24 29.35 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 -1.72 2.29 -4.27 2.61 1.02 -0.34 -4.93 120.64 115.30 3k6c n GLU 12 Ca 0.03 -1.92 -0.29 0.00 -0.02 0.00 0.00 57.16 54.96 3k6c n GLU 12 Cb 0.19 -1.48 -0.11 0.00 -0.02 0.00 0.00 31.44 30.02 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 -1.71 2.84 0.74 -4.62 1.43 -0.95 -5.05 118.68 111.36 3k6c s LEU 13 Ca 0.34 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 52.84 3k6c s LEU 13 Cb 0.21 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.81 3k6c s LEU 13 CO 0.31 0.17 1.07 -0.94 0.23 0.00 0.00 176.35 177.20 3k6c s SER 14 N -2.20 4.95 0.39 2.29 1.04 -1.26 -4.85 113.70 114.06 3k6c s SER 14 Ca 0.19 1.62 0.13 0.00 0.48 0.00 0.00 55.95 58.38 3k6c s SER 14 Cb -0.11 -2.42 0.96 0.00 0.10 0.00 0.00 66.02 64.55 3k6c s SER 14 CO 0.12 -1.72 1.87 0.44 0.98 0.00 0.00 173.24 174.93 3k6c h ASP 15 N -0.91 0.52 -0.08 7.02 3.32 -1.98 -0.43 116.42 123.88 3k6c h ASP 15 Ca -0.44 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 3k6c h ASP 15 Cb 1.23 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 3k6c h ASP 15 CO 0.56 0.24 0.03 -0.08 -1.72 0.00 0.00 179.24 178.26 3k6c h GLU 16 N 0.53 0.12 -0.41 3.56 4.81 -1.98 0.32 114.58 121.53 3k6c h GLU 16 Ca 0.44 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.57 3k6c h GLU 16 Cb 0.91 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 3k6c h GLU 16 CO -0.19 0.28 -0.06 1.15 -0.73 0.00 0.00 179.01 179.46 3k6c h THR 17 N -0.06 1.24 -0.11 0.32 2.02 -1.83 -3.15 112.91 111.34 3k6c h THR 17 Ca 0.02 -1.03 -0.21 0.00 0.77 0.00 0.00 66.41 65.97 3k6c h THR 17 Cb 0.21 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3k6c h THR 17 CO -0.00 0.35 -0.77 0.03 0.37 0.00 0.00 175.52 175.50 3k6c h ARG 18 N 0.64 0.59 -1.82 6.66 3.08 -0.94 0.13 114.38 122.72 3k6c h ARG 18 Ca 0.12 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.68 3k6c h ARG 18 Cb 0.49 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3k6c h ARG 18 CO 0.03 1.11 0.00 -0.25 -1.07 0.00 0.00 179.97 179.79 3k6c n ASP 19 N -3.88 0.59 0.00 7.04 8.00 0.11 -0.42 116.55 127.99 3k6c n ASP 19 Ca -0.06 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.03 3k6c n ASP 19 Cb 0.73 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 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 0.95 0.00 -0.35 1.24 -0.00 0.46 -1.91 115.22 115.60 3k6c n HIS 21 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.85 3k6c n HIS 21 Cb 0.09 0.00 0.32 0.00 -0.00 0.00 0.00 29.99 30.40 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 0.11 1.57 3.08 -1.01 -1.24 114.38 117.59 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 0.00 0.00 0.08 0.00 0.00 29.97 29.89 3k6c h ARG 22 CO 0.00 0.46 -0.05 0.00 -1.07 0.00 0.00 179.97 179.31 3k6c h ALA 23 N 1.65 -0.15 0.20 0.04 0.00 -1.65 -2.01 119.26 117.34 3k6c h ALA 23 Ca 0.58 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 3k6c h ALA 23 Cb 0.92 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3k6c h ALA 23 CO -0.40 -0.28 -0.10 0.82 0.00 0.00 0.00 179.25 179.29 3k6c h ILE 24 N -0.75 0.79 -0.90 0.00 2.04 -1.81 -1.51 117.51 115.38 3k6c h ILE 24 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 3k6c h ILE 24 Cb 0.55 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.37 3k6c h ILE 24 CO 0.02 0.00 0.59 -0.29 0.00 0.00 0.00 178.15 178.47 3k6c h ILE 25 N -0.28 1.10 -0.50 -0.67 2.10 -1.33 0.42 117.51 118.35 3k6c h ILE 25 Ca -0.03 -0.37 -0.03 0.00 1.08 0.00 0.00 64.86 65.52 3k6c h ILE 25 Cb 0.22 -0.06 -0.02 0.00 -1.09 0.00 0.00 36.82 35.87 3k6c h ILE 25 CO 0.04 0.19 0.18 0.28 -1.08 0.00 0.00 178.15 177.76 3k6c h SER 26 N 1.06 0.70 -0.43 2.19 0.02 -1.22 -1.64 113.55 114.25 3k6c h SER 26 Ca 0.38 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 3k6c h SER 26 Cb 0.13 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3k6c h SER 26 CO -0.13 0.70 0.14 0.25 -1.14 0.00 0.00 176.83 176.65 3k6c h LEU 27 N 0.67 0.62 -1.43 5.07 5.85 -0.18 0.77 115.31 126.68 3k6c h LEU 27 Ca 0.16 -0.20 0.11 0.00 0.84 0.00 0.00 57.88 58.79 3k6c h LEU 27 Cb 0.23 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 3k6c h LEU 27 CO -0.01 0.65 0.50 0.03 -0.34 0.00 0.00 178.44 179.27 3k6c h ARG 28 N 0.55 0.61 0.12 1.25 3.08 -0.01 0.10 114.38 120.08 3k6c h ARG 28 Ca 0.14 -0.04 -0.29 0.00 0.07 0.00 0.00 59.98 59.87 3k6c h ARG 28 Cb 0.25 -0.14 0.02 0.00 0.08 0.00 0.00 29.97 30.18 3k6c h ARG 28 CO -0.01 0.40 -1.22 0.93 -1.07 0.00 0.00 179.97 179.01 3k6c h GLU 29 N 0.63 0.50 -0.76 0.04 5.08 -0.62 -0.97 114.58 118.47 3k6c h GLU 29 Ca 0.35 -0.70 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 3k6c h GLU 29 Cb 0.53 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 3k6c h GLU 29 CO -0.13 1.30 0.44 0.93 -1.00 0.00 0.00 179.01 180.55 3k6c h GLU 30 N 0.21 1.05 -0.25 2.33 4.39 -0.36 -1.32 114.58 120.63 3k6c h GLU 30 Ca -0.17 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.40 3k6c h GLU 30 Cb 1.90 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 30.33 3k6c h GLU 30 CO 0.22 0.76 0.07 -0.07 -1.16 0.00 0.00 179.01 178.83 3k6c h LEU 31 N 1.05 0.37 -0.86 1.33 3.38 -0.94 -1.90 115.31 117.75 3k6c h LEU 31 Ca 0.27 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.10 3k6c h LEU 31 Cb 0.00 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 3k6c h LEU 31 CO -0.05 0.50 0.52 -0.08 0.09 0.00 0.00 178.44 179.42 3k6c h GLU 32 N 0.23 0.88 -0.48 1.13 4.81 -1.06 -1.50 114.58 118.58 3k6c h GLU 32 Ca 0.08 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 3k6c h GLU 32 Cb 0.27 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3k6c h GLU 32 CO -0.00 0.58 0.14 0.00 -0.73 0.00 0.00 179.01 179.01 3k6c h ALA 33 N 1.43 1.35 0.60 2.92 0.00 -0.97 0.51 119.26 125.10 3k6c h ALA 33 Ca 0.39 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3k6c h ALA 33 Cb 0.26 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3k6c h ALA 33 CO -0.21 0.47 -0.36 0.28 0.00 0.00 0.00 179.25 179.43 3k6c h VAL 34 N 0.70 0.27 -0.88 0.00 2.07 -0.49 -0.00 116.25 117.91 3k6c h VAL 34 Ca 0.16 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.82 3k6c h VAL 34 Cb 0.22 0.27 -0.09 0.00 -1.52 0.00 0.00 31.29 30.16 3k6c h VAL 34 CO -0.01 0.00 0.48 -0.78 0.02 0.00 0.00 177.57 177.29 3k6c h ASP 35 N -0.90 0.63 -0.03 0.57 3.58 -1.17 0.25 116.42 119.35 3k6c h ASP 35 Ca -0.07 0.08 -0.20 0.00 0.42 0.00 0.00 57.03 57.26 3k6c h ASP 35 Cb 0.73 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.76 3k6c h ASP 35 CO 0.08 0.29 -0.75 -0.07 -2.88 0.00 0.00 179.24 175.91 3k6c h LEU 36 N 0.71 0.70 -0.95 2.28 3.38 -0.59 -2.33 115.31 118.51 3k6c h LEU 36 Ca 0.47 -0.73 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 3k6c h LEU 36 Cb 0.61 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3k6c h LEU 36 CO -0.33 1.33 0.20 1.88 0.09 0.00 0.00 178.44 181.62 3k6c h TYR 37 N 0.14 1.00 -0.49 1.13 0.05 -0.78 -0.89 116.97 117.13 3k6c h TYR 37 Ca -0.09 -0.08 0.09 0.00 0.05 0.00 0.00 58.73 58.70 3k6c h TYR 37 Cb 1.43 -0.29 -0.07 0.00 1.01 0.00 0.00 36.73 38.80 3k6c h TYR 37 CO 0.12 0.80 0.08 -0.91 -1.05 0.00 0.00 178.16 177.20 3k6c h ASN 38 N 0.94 -0.05 -0.23 3.88 4.21 -0.81 0.40 115.58 123.92 3k6c h ASN 38 Ca 0.21 0.09 -0.03 0.00 1.21 0.00 0.00 56.30 57.78 3k6c h ASN 38 Cb 0.26 0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.59 3k6c h ASN 38 CO -0.01 0.01 0.02 1.56 -1.29 0.00 0.00 177.43 177.71 3k6c h GLN 39 N 0.20 0.40 -0.14 0.81 4.20 -1.08 -2.63 115.11 116.89 3k6c h GLN 39 Ca 0.25 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 3k6c h GLN 39 Cb 0.34 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3k6c h GLN 39 CO -0.34 0.56 -0.20 0.00 -0.67 0.00 0.00 178.83 178.19 3k6c h ARG 40 N 0.19 0.23 -0.20 1.46 3.08 -0.83 -1.99 114.38 116.31 3k6c h ARG 40 Ca 0.07 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3k6c h ARG 40 Cb 0.37 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3k6c h ARG 40 CO 0.01 0.42 0.07 0.28 -1.07 0.00 0.00 179.97 179.68 3k6c h VAL 41 N 0.21 1.18 -0.51 2.04 2.07 -0.10 0.12 116.25 121.26 3k6c h VAL 41 Ca 0.04 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.04 3k6c h VAL 41 Cb 0.47 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 3k6c h VAL 41 CO 0.03 0.17 0.31 -1.13 0.02 0.00 0.00 177.57 176.97 3k6c h ASN 42 N 0.16 0.51 0.85 0.57 -0.73 -1.24 -3.02 115.58 112.68 3k6c h ASN 42 Ca 0.07 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.24 3k6c h ASN 42 Cb 0.20 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.68 3k6c h ASN 42 CO -0.00 0.36 -0.56 0.00 -0.37 0.00 0.00 177.43 176.85 3k6c n ALA 43 N -2.27 2.96 -1.76 1.57 0.00 -0.77 -4.95 120.51 115.29 3k6c n ALA 43 Ca 0.03 -0.25 -0.38 0.00 0.00 0.00 0.00 53.44 52.84 3k6c n ALA 43 Cb 0.06 -1.19 0.01 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.34 0.54 -1.92 0.00 4.76 -1.26 -4.99 118.16 114.94 3k6c n LYS 45 Ca 0.06 0.35 -0.42 0.00 -2.87 0.00 0.00 58.31 55.43 3k6c n LYS 45 Cb 0.45 -1.55 -0.03 0.00 -1.84 0.00 0.00 35.03 32.06 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 -6.50 6.60 0.21 4.39 -1.08 -1.26 -4.90 116.67 114.13 3k6c s ASP 46 Ca -0.29 2.44 -0.09 0.00 -0.52 0.00 0.00 52.55 54.09 3k6c s ASP 46 Cb 0.07 -2.55 0.16 0.00 -1.46 0.00 0.00 42.92 39.14 3k6c s ASP 46 CO 0.43 -0.91 1.81 0.11 0.52 0.00 0.00 175.17 177.12 3k6c h LYS 47 N 8.88 1.12 -0.09 4.34 1.57 -1.99 -1.26 116.57 129.14 3k6c h LYS 47 Ca -0.42 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.19 3k6c h LYS 47 Cb 1.20 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 3k6c h LYS 47 CO 0.94 0.87 0.05 0.93 -0.57 0.00 0.00 179.45 181.66 3k6c h GLU 48 N 1.10 0.12 -0.49 3.15 3.07 -1.99 -1.23 114.58 118.31 3k6c h GLU 48 Ca 0.27 -0.01 0.04 0.00 -0.50 0.00 0.00 59.36 59.16 3k6c h GLU 48 Cb 0.11 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 3k6c h GLU 48 CO -0.04 0.15 0.25 1.25 -1.40 0.00 0.00 179.01 179.22 3k6c h LEU 49 N 0.06 0.36 -0.75 1.33 5.85 -1.86 -0.97 115.31 119.33 3k6c h LEU 49 Ca 0.03 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.85 3k6c h LEU 49 Cb 0.06 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 3k6c h LEU 49 CO -0.01 0.25 0.43 0.50 -0.34 0.00 0.00 178.44 179.28 3k6c h LYS 50 N 0.49 0.74 -0.39 1.25 3.64 -0.96 0.11 116.57 121.45 3k6c h LYS 50 Ca 0.21 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3k6c h LYS 50 Cb 0.12 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3k6c h LYS 50 CO -0.15 0.49 0.23 0.00 -2.27 0.00 0.00 179.45 177.75 3k6c h ALA 51 N 1.39 0.50 -0.56 5.00 0.00 -0.74 0.46 119.26 125.32 3k6c h ALA 51 Ca 0.34 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3k6c h ALA 51 Cb 0.25 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3k6c h ALA 51 CO -0.21 -0.01 0.15 0.82 0.00 0.00 0.00 179.25 180.00 3k6c h ILE 52 N 0.51 1.23 -0.43 0.00 2.04 -0.49 -0.45 117.51 119.92 3k6c h ILE 52 Ca 0.14 -0.81 -0.14 0.00 1.00 0.00 0.00 64.86 65.05 3k6c h ILE 52 Cb 0.01 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3k6c h ILE 52 CO -0.03 0.30 -0.29 -0.07 0.00 0.00 0.00 178.15 178.07 3k6c h LEU 53 N 0.82 0.99 -0.53 1.44 3.38 -0.40 -1.27 115.31 119.75 3k6c h LEU 53 Ca 0.18 -0.43 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 3k6c h LEU 53 Cb 0.28 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3k6c h LEU 53 CO -0.00 1.21 -0.04 0.00 0.09 0.00 0.00 178.44 179.70 3k6c h ALA 54 N 0.82 0.72 -0.40 1.53 0.00 -0.64 -2.10 119.26 119.18 3k6c h ALA 54 Ca 0.09 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 3k6c h ALA 54 Cb 0.87 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3k6c h ALA 54 CO 0.08 0.58 -0.08 1.25 0.00 0.00 0.00 179.25 181.07 3k6c h HIS 55 N 0.84 0.75 -0.12 0.00 -0.00 -0.97 -1.90 115.15 113.75 3k6c h HIS 55 Ca 0.15 -0.12 -0.06 0.00 -0.00 0.00 0.00 60.37 60.33 3k6c h HIS 55 Cb 0.58 -0.20 -0.00 0.00 -0.00 0.00 0.00 27.41 27.79 3k6c h HIS 55 CO 0.04 0.75 -0.17 -0.91 -0.00 0.00 0.00 177.93 177.64 3k6c h ASN 56 N 0.64 0.37 -0.84 3.26 4.21 -1.22 -2.92 115.58 119.07 3k6c h ASN 56 Ca 0.12 -0.52 0.08 0.00 1.21 0.00 0.00 56.30 57.19 3k6c h ASN 56 Cb 0.52 -0.10 -0.07 0.00 -1.12 0.00 0.00 38.32 37.55 3k6c h ASN 56 CO 0.03 0.82 0.50 -0.09 -1.29 0.00 0.00 177.43 177.40 3k6c h ARG 57 N -0.07 0.85 0.01 0.81 2.43 -1.33 0.19 114.38 117.26 3k6c h ARG 57 Ca 0.01 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.00 3k6c h ARG 57 Cb 0.73 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 30.10 3k6c h ARG 57 CO 0.04 0.56 -0.52 -0.44 -1.51 0.00 0.00 179.97 178.10 3k6c h ASP 58 N 0.87 0.44 -0.99 -3.80 3.32 -1.43 -2.62 116.42 112.21 3k6c h ASP 58 Ca 0.39 -0.78 0.20 0.00 0.02 0.00 0.00 57.03 56.86 3k6c h ASP 58 Cb 0.28 -0.13 -0.10 0.00 0.22 0.00 0.00 39.33 39.60 3k6c h ASP 58 CO -0.22 1.17 0.62 -0.33 -1.72 0.00 0.00 179.24 178.76 3k6c h GLU 59 N -0.24 0.64 0.00 3.56 5.08 -1.34 0.21 114.58 122.49 3k6c h GLU 59 Ca -0.07 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3k6c h GLU 59 Cb 1.26 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 3k6c h GLU 59 CO 0.10 0.43 -0.16 0.93 -1.00 0.00 0.00 179.01 179.31 3k6c h GLU 60 N 0.66 0.00 -0.86 2.33 4.39 -0.26 -1.93 114.58 118.91 3k6c h GLU 60 Ca 0.57 0.00 0.06 0.00 0.34 0.00 0.00 59.36 60.33 3k6c h GLU 60 Cb 1.02 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.61 3k6c h GLU 60 CO -0.35 0.16 0.53 0.87 -1.16 0.00 0.00 179.01 179.06 3k6c h LYS 61 N 0.00 0.94 -0.33 2.33 1.57 -0.29 -1.39 116.57 119.40 3k6c h LYS 61 Ca -0.00 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3k6c h LYS 61 Cb 0.30 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 3k6c h LYS 61 CO 0.02 0.62 0.12 1.49 -0.57 0.00 0.00 179.45 181.13 3k6c h GLU 62 N 0.97 0.26 0.10 3.15 4.81 -1.27 -1.72 114.58 120.87 3k6c h GLU 62 Ca 0.37 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.61 3k6c h GLU 62 Cb 0.17 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 3k6c h GLU 62 CO -0.17 0.17 -0.31 0.45 -0.73 0.00 0.00 179.01 178.42 3k6c h HIS 63 N 0.27 -0.85 -0.54 0.92 3.86 -1.34 -2.95 115.15 114.51 3k6c h HIS 63 Ca 0.15 0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.49 3k6c h HIS 63 Cb 0.11 0.36 -0.10 0.00 1.06 0.00 0.00 27.41 28.84 3k6c h HIS 63 CO -0.13 -0.42 -0.13 0.00 0.86 0.00 0.00 177.93 178.11 3k6c h ALA 64 N 0.16 0.36 0.00 2.45 0.00 -1.22 -1.18 119.26 119.82 3k6c h ALA 64 Ca 0.04 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3k6c h ALA 64 Cb 0.56 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3k6c h ALA 64 CO -0.20 -0.43 0.00 0.00 0.00 0.00 0.00 179.25 178.62 3k6c n ALA 65 N -2.92 1.58 0.00 0.00 0.00 -0.65 -1.64 120.51 116.88 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 0.29 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 0.61 0.00 0.22 0.00 4.77 -0.45 -2.28 117.00 119.87 3k6c n LEU 67 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 3k6c n LEU 67 Cb 0.10 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.41 3k6c n LEU 67 CO 0.00 0.00 0.81 0.25 -1.33 0.00 0.00 177.39 177.12 3k6c h LEU 68 N 0.00 0.00 -0.06 2.23 6.46 -1.56 -2.22 115.31 120.16 3k6c h LEU 68 Ca 0.00 0.00 -0.25 0.00 -0.12 0.00 0.00 57.88 57.51 3k6c h LEU 68 Cb 0.00 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 39.95 3k6c h LEU 68 CO 0.00 0.03 -0.93 -0.08 -0.62 0.00 0.00 178.44 176.84 3k6c h GLU 69 N 0.00 0.74 -0.83 1.25 4.57 -1.72 -2.03 114.58 116.56 3k6c h GLU 69 Ca -0.00 -0.71 0.01 0.00 -1.18 0.00 0.00 59.36 57.48 3k6c h GLU 69 Cb 0.97 0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 29.70 3k6c h GLU 69 CO 0.00 1.30 0.55 2.35 -1.18 0.00 0.00 179.01 182.03 3k6c h TRP 70 N 0.45 1.04 -0.00 0.92 7.01 -1.76 -0.97 115.95 122.64 3k6c h TRP 70 Ca -0.10 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 60.93 3k6c h TRP 70 Cb 1.57 -0.35 -0.00 0.00 -2.10 0.00 0.00 29.16 28.28 3k6c h TRP 70 CO 0.10 0.65 -0.00 0.82 -2.79 0.00 0.00 178.44 177.21 3k6c h ILE 71 N 1.11 1.25 -0.50 2.65 2.04 -1.24 -3.07 117.51 119.76 3k6c h ILE 71 Ca 0.31 -0.74 -0.11 0.00 1.00 0.00 0.00 64.86 65.32 3k6c h ILE 71 Cb -0.11 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3k6c h ILE 71 CO -0.07 0.19 -0.10 0.08 0.00 0.00 0.00 178.15 178.25 3k6c h ARG 72 N -0.31 0.95 -0.11 2.37 0.11 -0.93 -0.30 114.38 116.15 3k6c h ARG 72 Ca 0.00 -0.35 0.03 0.00 0.10 0.00 0.00 59.98 59.76 3k6c h ARG 72 Cb 0.32 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 31.33 3k6c h ARG 72 CO 0.00 1.02 0.45 0.00 0.10 0.00 0.00 179.97 181.53 3k6c h ARG 73 N 0.80 0.00 0.00 0.08 3.08 -1.19 0.14 114.38 117.29 3k6c h ARG 73 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3k6c h ARG 73 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3k6c h ARG 73 CO 0.05 0.00 -0.12 0.00 -1.07 0.00 0.00 179.97 178.83 3k6c s ASP 75 N -2.44 3.86 0.33 0.00 -1.08 0.04 -4.98 116.67 112.40 3k6c s ASP 75 Ca 0.24 -1.74 0.15 0.00 -0.52 0.00 0.00 52.55 50.69 3k6c s ASP 75 Cb 0.21 -0.78 0.53 0.00 -1.46 0.00 0.00 42.92 41.42 3k6c s ASP 75 CO 0.02 -0.40 1.67 -0.65 0.52 0.00 0.00 175.17 176.34 3k6c h PRO 76 N 7.91 0.00 0.00 4.34 0.11 -1.88 0.36 132.00 142.84 3k6c h PRO 76 Ca -0.12 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.95 3k6c h PRO 76 Cb 1.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3k6c h PRO 76 CO 0.46 0.48 -0.20 0.00 -0.21 0.00 0.00 178.00 178.53 3k6c h ALA 77 N 1.52 1.13 0.05 -0.75 0.00 -1.93 -2.10 119.26 117.18 3k6c h ALA 77 Ca -0.00 -0.18 -0.38 0.00 0.00 0.00 0.00 54.91 54.35 3k6c h ALA 77 Cb 1.00 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 3k6c h ALA 77 CO 0.06 0.25 -2.26 0.34 0.00 0.00 0.00 179.25 177.64 3k6c n PHE 78 N -3.51 0.54 -0.02 0.00 7.35 -1.07 -3.87 117.46 116.88 3k6c n PHE 78 Ca -0.01 0.12 0.16 0.00 -0.76 0.00 0.00 57.45 56.96 3k6c n PHE 78 Cb 0.36 -1.07 0.60 0.00 0.35 0.00 0.00 39.48 39.71 3k6c n PHE 78 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 3k6c h ASP 79 N 0.03 0.17 -0.10 -2.13 3.58 -0.23 -0.48 116.42 117.26 3k6c h ASP 79 Ca -0.51 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 56.93 3k6c h ASP 79 Cb 1.98 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.99 3k6c h ASP 79 CO -0.01 0.10 -0.03 0.07 -2.88 0.00 0.00 179.24 176.50 3k6c h LYS 80 N 0.19 0.19 -0.28 0.28 2.10 -1.55 -1.78 116.57 115.72 3k6c h LYS 80 Ca 0.25 -0.07 0.04 0.00 -2.00 0.00 0.00 60.65 58.86 3k6c h LYS 80 Cb 0.73 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 32.02 3k6c h LYS 80 CO -0.04 0.51 0.07 0.93 -2.00 0.00 0.00 179.45 178.92 3k6c h GLU 81 N -0.14 0.18 -0.71 0.07 4.39 -1.25 -1.13 114.58 115.99 3k6c h GLU 81 Ca 0.02 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.74 3k6c h GLU 81 Cb 0.44 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 3k6c h GLU 81 CO 0.01 0.12 0.45 -0.07 -1.16 0.00 0.00 179.01 178.36 3k6c h LEU 82 N 0.18 0.74 -0.89 1.33 3.38 -1.30 -2.36 115.31 116.39 3k6c h LEU 82 Ca 0.13 -0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.24 3k6c h LEU 82 Cb 0.12 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.62 3k6c h LEU 82 CO -0.16 0.52 0.50 0.11 0.09 0.00 0.00 178.44 179.50 3k6c h LYS 83 N 0.88 0.71 -0.13 1.13 1.57 -0.31 -0.44 116.57 119.99 3k6c h LYS 83 Ca 0.28 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.96 3k6c h LYS 83 Cb 0.00 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 3k6c h LYS 83 CO -0.10 0.47 -0.16 -0.44 -0.57 0.00 0.00 179.45 178.65 3k6c h ASP 84 N 0.73 0.36 0.12 0.86 3.32 -0.94 -3.40 116.42 117.47 3k6c h ASP 84 Ca 0.47 -0.51 -0.36 0.00 0.02 0.00 0.00 57.03 56.65 3k6c h ASP 84 Cb 0.61 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.01 3k6c h ASP 84 CO -0.33 0.79 -2.17 -1.22 -1.72 0.00 0.00 179.24 174.59 3k6c n TYR 85 N -4.56 0.65 -2.49 4.55 4.01 -0.92 -4.88 117.16 113.52 3k6c n TYR 85 Ca -0.07 0.16 -0.41 0.00 -0.16 0.00 0.00 57.90 57.43 3k6c n TYR 85 Cb 0.37 -1.09 -0.04 0.00 -0.31 0.00 0.00 39.34 38.27 3k6c n TYR 85 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3k6c s LEU 86 N -6.56 4.53 -1.55 7.72 2.96 -0.19 -3.47 118.68 122.11 3k6c s LEU 86 Ca -0.23 2.19 -0.02 0.00 -0.22 0.00 0.00 54.13 55.85 3k6c s LEU 86 Cb 0.08 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.15 3k6c s LEU 86 CO 0.73 -0.18 0.30 0.49 -1.32 0.00 0.00 176.35 176.36 3k6c n PHE 87 N 1.72 -1.39 -3.80 5.38 3.72 -1.26 -4.90 117.46 116.93 3k6c n PHE 87 Ca 0.01 0.25 -0.23 0.00 -0.05 0.00 0.00 57.45 57.43 3k6c n PHE 87 Cb 0.45 -4.03 -0.04 0.00 -0.94 0.00 0.00 39.48 34.92 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 -3.06 2.41 -0.03 4.37 -4.23 -1.23 -5.07 115.64 108.81 3k6c s THR 88 Ca 0.15 -1.48 0.13 0.00 -1.18 0.00 0.00 61.69 59.30 3k6c s THR 88 Cb -0.06 -2.89 -0.19 0.00 1.34 0.00 0.00 72.50 70.69 3k6c s THR 88 CO 0.18 0.00 0.26 0.59 -0.54 0.00 0.00 174.62 175.11 3k6c n ASN 89 N -1.47 2.06 -4.67 3.99 3.02 -1.26 -5.06 115.26 111.86 3k6c n ASN 89 Ca 0.01 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.16 3k6c n ASN 89 Cb 0.63 1.51 0.02 0.00 -0.61 0.00 0.00 39.78 41.33 3k6c n ASN 89 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3k6c n LYS 90 N -2.00 1.63 -1.68 3.52 5.02 -1.26 -4.88 118.16 118.52 3k6c n LYS 90 Ca -0.04 0.59 -0.47 0.00 -2.02 0.00 0.00 58.31 56.36 3k6c n LYS 90 Cb 0.39 -2.28 -0.04 0.00 -0.02 0.00 0.00 35.03 33.07 3k6c n LYS 90 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3k6c n PRO 91 N -0.15 2.29 -0.28 1.97 -0.02 -1.26 -4.81 135.00 132.74 3k6c n PRO 91 Ca 0.08 0.84 0.03 0.00 -2.02 0.00 0.00 63.50 62.43 3k6c n PRO 91 Cb 0.41 -2.70 0.16 0.00 -0.02 0.00 0.00 33.50 31.35 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 5.47 0.89 0.00 4.25 1.08 -1.98 -3.54 117.51 123.68 3k6c h ILE 92 Ca -0.49 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 63.73 3k6c h ILE 92 Cb 1.27 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 35.09 3k6c h ILE 92 CO 0.95 0.14 0.00 0.00 -0.69 0.00 0.00 178.15 178.54