#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kuy n LEU 22 N 0.00 4.85 -3.62 7.52 -0.00 -1.26 -5.05 117.00 119.45 3kuy n LEU 22 Ca 0.00 0.71 -0.15 0.00 -0.00 0.00 0.00 56.01 56.56 3kuy n LEU 22 Cb 0.00 -1.50 -0.07 0.00 -0.00 0.00 0.00 43.42 41.85 3kuy n LEU 22 CO 0.00 -1.50 0.33 -0.60 -0.00 0.00 0.00 177.39 175.62 3kuy s ARG 23 N -3.61 0.85 0.50 1.47 3.52 -1.26 -5.16 118.95 115.26 3kuy s ARG 23 Ca 0.77 0.50 -0.21 0.00 -0.13 0.00 0.00 55.73 56.66 3kuy s ARG 23 Cb -0.34 0.41 -0.07 0.00 -1.56 0.00 0.00 34.95 33.39 3kuy s ARG 23 CO 0.46 -0.19 1.12 -0.51 -0.81 0.00 0.00 175.30 175.37 3kuy s ASP 24 N -0.47 6.03 0.19 -2.12 1.01 -1.26 -4.98 116.67 115.07 3kuy s ASP 24 Ca -0.06 2.18 -0.05 0.00 0.71 0.00 0.00 52.55 55.33 3kuy s ASP 24 Cb -0.03 -2.59 0.12 0.00 1.01 0.00 0.00 42.92 41.43 3kuy s ASP 24 CO 0.05 -1.01 1.55 0.78 0.21 0.00 0.00 175.17 176.75 3kuy h ASN 25 N 1.62 0.76 0.24 0.27 2.35 -2.01 -2.72 115.58 116.09 3kuy h ASN 25 Ca -0.50 -0.34 -0.03 0.00 -0.55 0.00 0.00 56.30 54.88 3kuy h ASN 25 Cb 1.25 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 39.40 3kuy h ASN 25 CO 0.59 1.06 -0.16 -0.29 -1.65 0.00 0.00 177.43 176.98 3kuy h ILE 26 N 0.59 0.93 0.00 2.81 6.09 -1.96 -1.09 117.51 124.89 3kuy h ILE 26 Ca 0.05 -0.60 0.00 0.00 -1.37 0.00 0.00 64.86 62.94 3kuy h ILE 26 Cb 0.93 1.34 0.00 0.00 0.47 0.00 0.00 36.82 39.55 3kuy h ILE 26 CO 0.08 0.16 0.00 1.56 -3.07 0.00 0.00 178.15 176.88 3kuy h GLN 27 N 0.00 0.00 0.00 2.19 1.08 -1.88 -2.75 115.11 113.75 3kuy h GLN 27 Ca -0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 3kuy h GLN 27 Cb 0.33 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 3kuy h GLN 27 CO 0.02 0.00 -0.17 0.78 -0.95 0.00 0.00 178.83 178.51 3kuy h GLY 28 N 3.51 0.00 -7.40 3.46 0.00 -1.08 -3.34 103.07 98.22 3kuy h GLY 28 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 3kuy h GLY 28 CO 0.00 0.00 1.20 -0.42 0.00 0.00 0.00 176.54 177.32 3kuy s ILE 29 N -4.10 3.55 0.42 2.60 -1.09 -1.04 -4.97 121.20 116.57 3kuy s ILE 29 Ca -0.02 0.33 -0.02 0.00 -2.23 0.00 0.00 60.65 58.70 3kuy s ILE 29 Cb 0.13 -4.43 -0.03 0.00 -1.58 0.00 0.00 42.46 36.55 3kuy s ILE 29 CO 0.61 -1.37 0.67 0.42 -1.23 0.00 0.00 174.94 174.04 3kuy s THR 30 N 7.32 4.89 0.15 2.92 -4.23 -1.26 -4.92 115.64 120.52 3kuy s THR 30 Ca 0.51 -0.18 -0.25 0.00 -1.18 0.00 0.00 61.69 60.60 3kuy s THR 30 Cb -0.10 -3.82 0.02 0.00 1.34 0.00 0.00 72.50 69.93 3kuy s THR 30 CO 0.18 -0.66 1.60 0.50 -0.54 0.00 0.00 174.62 175.70 3kuy h LYS 31 N 0.47 -0.31 -0.98 3.99 3.64 -1.93 -1.72 116.57 119.73 3kuy h LYS 31 Ca -0.48 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.04 3kuy h LYS 31 Cb 1.22 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 33.03 3kuy h LYS 31 CO 0.61 -0.21 0.62 -1.35 -2.27 0.00 0.00 179.45 176.86 3kuy h PRO 32 N -0.32 0.92 -0.18 1.90 0.11 -1.99 0.36 132.00 132.80 3kuy h PRO 32 Ca 0.14 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 3kuy h PRO 32 Cb 0.55 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 3kuy h PRO 32 CO -0.48 0.61 0.09 0.00 -0.21 0.00 0.00 178.00 178.00 3kuy h ALA 33 N 1.55 0.24 -0.44 -0.75 0.00 -1.87 -1.46 119.26 116.52 3kuy h ALA 33 Ca 0.49 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 3kuy h ALA 33 Cb 0.52 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3kuy h ALA 33 CO -0.25 -0.21 0.01 0.82 0.00 0.00 0.00 179.25 179.62 3kuy h ILE 34 N 0.17 1.23 -0.57 0.00 2.04 -0.30 -1.15 117.51 118.93 3kuy h ILE 34 Ca 0.06 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 64.99 3kuy h ILE 34 Cb 0.12 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3kuy h ILE 34 CO -0.01 0.33 0.35 -0.09 0.00 0.00 0.00 178.15 178.73 3kuy h ARG 35 N 0.67 0.77 -0.45 2.37 2.43 -0.07 -1.46 114.38 118.66 3kuy h ARG 35 Ca 0.14 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3kuy h ARG 35 Cb 0.40 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3kuy h ARG 35 CO 0.01 0.55 0.16 0.00 -1.51 0.00 0.00 179.97 179.18 3kuy h ARG 36 N 0.77 0.68 -0.21 0.20 3.08 -0.63 -1.75 114.38 116.53 3kuy h ARG 36 Ca 0.21 -0.14 0.05 0.00 0.07 0.00 0.00 59.98 60.17 3kuy h ARG 36 Cb -0.03 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 29.86 3kuy h ARG 36 CO -0.04 0.65 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.30 3kuy h LEU 37 N 0.58 -0.44 -1.71 3.04 3.38 -1.02 -0.64 115.31 118.50 3kuy h LEU 37 Ca 0.15 0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.31 3kuy h LEU 37 Cb 0.24 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3kuy h LEU 37 CO -0.01 -0.17 0.37 0.00 0.09 0.00 0.00 178.44 178.72 3kuy h ALA 38 N 1.03 2.08 0.06 1.53 0.00 -0.94 -2.07 119.26 120.95 3kuy h ALA 38 Ca 0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kuy h ALA 38 Cb 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3kuy h ALA 38 CO -0.29 -0.20 -0.03 0.00 0.00 0.00 0.00 179.25 178.73 3kuy h ARG 39 N 0.32 -0.08 -0.97 0.00 2.47 -0.25 0.13 114.38 116.00 3kuy h ARG 39 Ca 0.25 0.01 0.25 0.00 -1.26 0.00 0.00 59.98 59.23 3kuy h ARG 39 Cb 0.56 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.84 3kuy h ARG 39 CO -0.06 0.32 0.66 -0.09 0.56 0.00 0.00 179.97 181.36 3kuy h ARG 40 N -0.49 0.24 0.00 0.04 2.43 -0.92 0.85 114.38 116.54 3kuy h ARG 40 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3kuy h ARG 40 Cb 0.43 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3kuy h ARG 40 CO 0.01 0.16 0.00 0.41 -1.51 0.00 0.00 179.97 179.04 3kuy n GLY 41 N -1.58 -0.99 2.02 2.80 0.00 -0.48 -4.90 105.19 102.06 3kuy n GLY 41 Ca 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 3kuy n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kuy n GLY 42 N 0.70 0.36 3.70 -0.02 0.00 0.30 -5.04 105.19 105.18 3kuy n GLY 42 Ca 0.13 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 3kuy n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kuy s VAL 43 N -2.05 5.10 -0.23 1.61 1.01 -0.09 -4.97 120.40 120.78 3kuy s VAL 43 Ca 0.00 1.17 0.08 0.00 0.00 0.00 0.00 61.98 63.23 3kuy s VAL 43 Cb 0.00 -3.92 -0.19 0.00 0.00 0.00 0.00 36.38 32.26 3kuy s VAL 43 CO 0.00 0.24 -0.10 1.17 0.00 0.00 0.00 175.10 176.41 3kuy n LYS 44 N 4.12 0.71 -4.20 2.72 4.81 -1.26 -4.43 118.16 120.63 3kuy n LYS 44 Ca -0.04 0.08 -0.19 0.00 -0.87 0.00 0.00 58.31 57.30 3kuy n LYS 44 Cb 0.51 -1.50 -0.16 0.00 0.02 0.00 0.00 35.03 33.91 3kuy n LYS 44 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3kuy s ARG 45 N -2.49 0.70 -0.22 1.64 3.52 -1.26 -5.14 118.95 115.71 3kuy s ARG 45 Ca -0.24 -0.16 -0.01 0.00 -0.13 0.00 0.00 55.73 55.20 3kuy s ARG 45 Cb 0.07 -0.70 0.06 0.00 -1.56 0.00 0.00 34.95 32.82 3kuy s ARG 45 CO 0.66 0.01 -0.02 0.42 -0.81 0.00 0.00 175.30 175.57 3kuy s ILE 46 N 0.47 1.13 0.49 4.11 1.01 -1.26 -5.12 121.20 122.03 3kuy s ILE 46 Ca -0.06 -0.96 -0.24 0.00 0.00 0.00 0.00 60.65 59.39 3kuy s ILE 46 Cb -0.10 -1.49 -0.07 0.00 0.01 0.00 0.00 42.46 40.81 3kuy s ILE 46 CO 0.00 -0.14 1.41 -0.55 0.00 0.00 0.00 174.94 175.66 3kuy s SER 47 N 1.58 5.61 0.62 3.58 0.15 -1.26 -4.86 113.70 119.12 3kuy s SER 47 Ca -0.04 2.88 0.41 0.00 0.70 0.00 0.00 55.95 59.90 3kuy s SER 47 Cb -0.18 -2.65 2.21 0.00 -1.71 0.00 0.00 66.02 63.69 3kuy s SER 47 CO -0.07 -1.35 2.24 1.23 1.20 0.00 0.00 173.24 176.49 3kuy h GLY 48 N 1.97 0.00 -0.41 9.45 0.00 -2.06 -1.12 103.07 110.90 3kuy h GLY 48 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3kuy h GLY 48 CO 0.60 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.18 3kuy n LEU 49 N -2.95 1.41 -0.05 3.11 4.77 -1.26 -4.08 117.00 117.94 3kuy n LEU 49 Ca -0.03 -0.49 -0.09 0.00 -0.03 0.00 0.00 56.01 55.37 3kuy n LEU 49 Cb 0.09 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.24 3kuy n LEU 49 CO 0.18 0.25 0.61 0.40 -1.33 0.00 0.00 177.39 177.50 3kuy h ILE 50 N 2.14 1.29 -0.38 -0.08 1.08 -1.56 -2.99 117.51 117.01 3kuy h ILE 50 Ca 0.00 -1.51 -0.08 0.00 -0.39 0.00 0.00 64.86 62.88 3kuy h ILE 50 Cb 0.46 1.43 -0.02 0.00 -3.07 0.00 0.00 36.82 35.62 3kuy h ILE 50 CO 0.00 0.49 -0.11 1.88 -0.69 0.00 0.00 178.15 179.73 3kuy h TYR 51 N 0.59 0.72 0.00 1.37 0.05 -1.79 0.50 116.97 118.40 3kuy h TYR 51 Ca 0.06 -0.12 -0.16 0.00 0.05 0.00 0.00 58.73 58.56 3kuy h TYR 51 Cb 0.88 -0.19 0.01 0.00 1.01 0.00 0.00 36.73 38.45 3kuy h TYR 51 CO 0.04 0.74 -0.63 0.93 -1.05 0.00 0.00 178.16 178.19 3kuy h GLU 52 N 0.61 0.42 -0.62 4.88 4.39 -1.83 -2.78 114.58 119.65 3kuy h GLU 52 Ca 0.11 -0.46 0.09 0.00 0.34 0.00 0.00 59.36 59.44 3kuy h GLU 52 Cb 0.54 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 29.25 3kuy h GLU 52 CO 0.03 1.12 0.25 1.49 -1.16 0.00 0.00 179.01 180.74 3kuy h GLU 53 N -0.08 0.43 -0.31 2.33 4.57 -1.30 -1.15 114.58 119.06 3kuy h GLU 53 Ca -0.08 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 3kuy h GLU 53 Cb 1.34 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 3kuy h GLU 53 CO 0.12 0.28 0.19 1.15 -1.18 0.00 0.00 179.01 179.57 3kuy h THR 54 N 0.44 1.12 -0.84 0.32 2.02 -0.05 -0.76 112.91 115.15 3kuy h THR 54 Ca 0.31 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 67.22 3kuy h THR 54 Cb 0.37 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 3kuy h THR 54 CO -0.30 0.11 0.55 0.03 0.37 0.00 0.00 175.52 176.29 3kuy h ARG 55 N 0.40 1.12 -0.23 6.66 3.08 -1.32 0.15 114.38 124.24 3kuy h ARG 55 Ca 0.11 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.14 3kuy h ARG 55 Cb 0.02 -0.25 -0.07 0.00 0.08 0.00 0.00 29.97 29.75 3kuy h ARG 55 CO -0.02 0.74 -0.42 0.78 -1.07 0.00 0.00 179.97 179.99 3kuy h GLY 56 N 1.15 -0.64 1.01 0.04 0.00 -0.28 -1.38 103.07 102.96 3kuy h GLY 56 Ca 0.31 0.52 -0.01 0.00 0.00 0.00 0.00 47.33 48.15 3kuy h GLY 56 CO -0.07 -0.21 0.45 -2.08 0.00 0.00 0.00 176.54 174.64 3kuy h VAL 57 N -0.43 1.22 -0.29 4.60 2.07 -0.81 -2.54 116.25 120.06 3kuy h VAL 57 Ca 0.10 -0.51 -0.11 0.00 0.82 0.00 0.00 66.70 67.01 3kuy h VAL 57 Cb 0.61 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3kuy h VAL 57 CO -0.46 0.24 -0.26 0.25 0.02 0.00 0.00 177.57 177.36 3kuy h LEU 58 N 1.05 0.59 -0.59 2.57 5.85 -0.66 -0.85 115.31 123.27 3kuy h LEU 58 Ca 0.27 -0.21 -0.13 0.00 0.84 0.00 0.00 57.88 58.66 3kuy h LEU 58 Cb -0.02 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 3kuy h LEU 58 CO -0.05 0.83 -0.24 0.50 -0.34 0.00 0.00 178.44 179.14 3kuy h LYS 59 N 0.51 0.87 -0.44 1.25 3.64 -1.04 0.32 116.57 121.67 3kuy h LYS 59 Ca 0.07 -0.37 -0.11 0.00 -1.27 0.00 0.00 60.65 58.97 3kuy h LYS 59 Cb 0.71 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 3kuy h LYS 59 CO 0.05 1.02 -0.14 0.28 -2.27 0.00 0.00 179.45 178.39 3kuy h VAL 60 N 0.75 1.27 -0.13 2.00 2.07 -1.06 0.48 116.25 121.63 3kuy h VAL 60 Ca 0.10 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.35 3kuy h VAL 60 Cb 0.79 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3kuy h VAL 60 CO 0.07 0.43 0.09 0.15 0.02 0.00 0.00 177.57 178.32 3kuy h PHE 61 N 0.70 0.17 -0.42 1.57 3.57 -1.04 -1.50 116.94 119.99 3kuy h PHE 61 Ca 0.11 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 3kuy h PHE 61 Cb 0.69 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 3kuy h PHE 61 CO 0.05 0.11 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.03 3kuy h LEU 62 N 0.17 0.77 -0.03 0.59 3.38 -0.73 -1.50 115.31 117.96 3kuy h LEU 62 Ca 0.05 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3kuy h LEU 62 Cb -0.01 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3kuy h LEU 62 CO -0.01 0.93 0.02 -0.33 0.09 0.00 0.00 178.44 179.14 3kuy h GLU 63 N 0.70 0.05 -0.92 1.13 5.08 -0.82 0.12 114.58 119.91 3kuy h GLU 63 Ca 0.11 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3kuy h GLU 63 Cb 0.63 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 3kuy h GLU 63 CO 0.04 0.06 0.53 -0.91 -1.00 0.00 0.00 179.01 177.73 3kuy h ASN 64 N 0.02 1.13 0.07 1.42 2.35 -1.03 -1.05 115.58 118.49 3kuy h ASN 64 Ca 0.01 -0.08 -0.25 0.00 -0.55 0.00 0.00 56.30 55.43 3kuy h ASN 64 Cb 0.02 -0.29 0.02 0.00 0.05 0.00 0.00 38.32 38.13 3kuy h ASN 64 CO -0.00 0.89 -1.02 0.58 -1.65 0.00 0.00 177.43 176.23 3kuy h VAL 65 N 1.28 1.34 0.02 2.81 2.07 -1.12 -3.29 116.25 119.36 3kuy h VAL 65 Ca 0.33 -2.34 -0.00 0.00 0.82 0.00 0.00 66.70 65.51 3kuy h VAL 65 Cb -0.01 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3kuy h VAL 65 CO -0.06 0.70 -0.01 0.40 0.02 0.00 0.00 177.57 178.62 3kuy h ILE 66 N 0.15 1.36 -0.99 4.57 2.04 -0.63 -1.77 117.51 122.24 3kuy h ILE 66 Ca -0.15 -1.24 0.31 0.00 1.00 0.00 0.00 64.86 64.78 3kuy h ILE 66 Cb 1.71 2.18 -0.18 0.00 -0.74 0.00 0.00 36.82 39.79 3kuy h ILE 66 CO 0.20 0.31 0.16 -0.09 0.00 0.00 0.00 178.15 178.73 3kuy h ARG 67 N -0.57 0.01 -0.06 2.37 2.43 -1.34 0.27 114.38 117.49 3kuy h ARG 67 Ca -0.00 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3kuy h ARG 67 Cb 0.54 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3kuy h ARG 67 CO 0.01 0.01 -0.22 -0.44 -1.51 0.00 0.00 179.97 177.81 3kuy h ASP 68 N 0.01 0.29 -0.35 -3.80 5.19 -1.60 -1.81 116.42 114.35 3kuy h ASP 68 Ca 0.66 -0.64 0.05 0.00 -0.62 0.00 0.00 57.03 56.49 3kuy h ASP 68 Cb 1.49 -0.09 -0.05 0.00 0.18 0.00 0.00 39.33 40.86 3kuy h ASP 68 CO -0.88 0.88 0.05 0.00 -3.12 0.00 0.00 179.24 176.17 3kuy h ALA 69 N 0.42 0.36 -0.24 3.45 0.00 0.13 -1.17 119.26 122.21 3kuy h ALA 69 Ca -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3kuy h ALA 69 Cb 0.87 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3kuy h ALA 69 CO 0.05 -0.35 0.12 0.28 0.00 0.00 0.00 179.25 179.35 3kuy h VAL 70 N 0.17 1.13 -1.07 0.00 2.07 -0.67 -0.18 116.25 117.69 3kuy h VAL 70 Ca 0.17 -0.37 0.29 0.00 0.82 0.00 0.00 66.70 67.61 3kuy h VAL 70 Cb 0.20 0.93 -0.10 0.00 -1.52 0.00 0.00 31.29 30.80 3kuy h VAL 70 CO -0.23 0.13 0.68 0.74 0.02 0.00 0.00 177.57 178.91 3kuy h THR 71 N 0.27 0.46 -0.28 2.57 2.02 -0.73 0.66 112.91 117.89 3kuy h THR 71 Ca 0.08 -0.12 -0.10 0.00 0.77 0.00 0.00 66.41 67.04 3kuy h THR 71 Cb 0.10 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 3kuy h THR 71 CO -0.01 0.07 -0.21 1.88 0.37 0.00 0.00 175.52 177.61 3kuy h TYR 72 N 0.36 0.75 0.16 3.16 0.99 -0.01 -2.40 116.97 119.98 3kuy h TYR 72 Ca 0.63 -0.21 0.00 0.00 2.00 0.00 0.00 58.73 61.16 3kuy h TYR 72 Cb 1.63 -0.16 -0.03 0.00 1.00 0.00 0.00 36.73 39.17 3kuy h TYR 72 CO -0.00 0.92 -0.37 1.15 -0.00 0.00 0.00 178.16 179.85 3kuy h THR 73 N 0.37 0.00 -0.78 -2.88 2.02 0.19 -2.70 112.91 109.13 3kuy h THR 73 Ca 0.05 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.40 3kuy h THR 73 Cb 0.76 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.06 3kuy h THR 73 CO 0.06 0.00 0.24 -0.33 0.37 0.00 0.00 175.52 175.86 3kuy h GLU 74 N -0.58 0.32 -0.97 6.66 5.08 -0.60 0.31 114.58 124.80 3kuy h GLU 74 Ca -0.01 -0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.47 3kuy h GLU 74 Cb 0.56 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.65 3kuy h GLU 74 CO -0.16 0.21 0.58 1.25 -1.00 0.00 0.00 179.01 179.89 3kuy h HIS 75 N 0.33 1.04 -0.07 4.33 2.76 -1.21 0.14 115.15 122.47 3kuy h HIS 75 Ca 0.45 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.65 3kuy h HIS 75 Cb 0.77 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.41 3kuy h HIS 75 CO -0.22 0.33 0.00 0.00 -1.30 0.00 0.00 177.93 176.74 3kuy n ALA 76 N -2.35 2.57 -3.63 5.26 0.00 0.11 -4.91 120.51 117.56 3kuy n ALA 76 Ca 0.20 -0.28 -0.24 0.00 0.00 0.00 0.00 53.44 53.12 3kuy n ALA 76 Cb 0.44 -1.21 0.04 0.00 0.00 0.00 0.00 19.45 18.72 3kuy n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kuy n LYS 77 N -0.34 -2.89 -4.41 0.00 5.02 0.04 -5.02 118.16 110.56 3kuy n LYS 77 Ca 0.15 0.59 -0.24 0.00 -2.02 0.00 0.00 58.31 56.78 3kuy n LYS 77 Cb 0.17 -4.84 -0.11 0.00 -0.02 0.00 0.00 35.03 30.22 3kuy n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kuy s ARG 78 N -5.73 1.49 0.00 1.97 0.52 -1.20 -5.01 118.95 111.00 3kuy s ARG 78 Ca 0.27 -1.58 0.23 0.00 -0.52 0.00 0.00 55.73 54.13 3kuy s ARG 78 Cb -0.08 -1.64 0.47 0.00 0.52 0.00 0.00 34.95 34.22 3kuy s ARG 78 CO 0.82 0.33 1.43 1.63 0.02 0.00 0.00 175.30 179.53 3kuy n LYS 79 N -0.04 2.56 -4.23 3.54 5.02 -1.26 -4.58 118.16 119.16 3kuy n LYS 79 Ca -0.10 -2.37 -0.25 0.00 -2.02 0.00 0.00 58.31 53.57 3kuy n LYS 79 Cb 0.58 -1.52 -0.17 0.00 -0.02 0.00 0.00 35.03 33.90 3kuy n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3kuy s THR 80 N -1.37 0.97 -0.31 -0.18 2.01 -1.26 -5.11 115.64 110.39 3kuy s THR 80 Ca 0.41 -0.33 -0.29 0.00 0.31 0.00 0.00 61.69 61.79 3kuy s THR 80 Cb 0.23 -0.95 0.01 0.00 0.01 0.00 0.00 72.50 71.80 3kuy s THR 80 CO 0.32 0.34 1.22 -0.69 -0.69 0.00 0.00 174.62 175.12 3kuy s VAL 81 N 1.15 4.26 0.23 3.82 1.01 -1.26 -4.91 120.40 124.70 3kuy s VAL 81 Ca -0.06 1.43 -0.11 0.00 0.00 0.00 0.00 61.98 63.24 3kuy s VAL 81 Cb -0.14 -4.26 -0.07 0.00 0.00 0.00 0.00 36.38 31.90 3kuy s VAL 81 CO -0.02 -0.50 0.58 0.42 0.00 0.00 0.00 175.10 175.58 3kuy s THR 82 N 4.14 4.88 0.37 3.92 -4.23 -1.26 -4.97 115.64 118.49 3kuy s THR 82 Ca 0.52 0.59 0.18 0.00 -1.18 0.00 0.00 61.69 61.80 3kuy s THR 82 Cb -0.15 -3.63 0.38 0.00 1.34 0.00 0.00 72.50 70.44 3kuy s THR 82 CO 0.21 -0.05 1.70 0.00 -0.54 0.00 0.00 174.62 175.94 3kuy h ALA 83 N 2.62 2.16 -0.65 3.99 0.00 -1.95 0.50 119.26 125.92 3kuy h ALA 83 Ca -0.47 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 3kuy h ALA 83 Cb 1.17 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 3kuy h ALA 83 CO 0.68 -0.69 0.25 0.52 0.00 0.00 0.00 179.25 180.00 3kuy h MET 84 N 0.34 0.96 -0.72 0.00 2.86 -1.94 0.84 114.93 117.28 3kuy h MET 84 Ca 0.69 -0.16 0.09 0.00 -2.06 0.00 0.00 59.70 58.26 3kuy h MET 84 Cb 1.72 -0.16 -0.07 0.00 0.06 0.00 0.00 31.60 33.15 3kuy h MET 84 CO -0.45 0.79 0.37 -0.44 1.06 0.00 0.00 176.91 178.24 3kuy h ASP 85 N 0.94 0.49 -0.33 1.22 3.32 -0.34 0.23 116.42 121.96 3kuy h ASP 85 Ca 0.22 0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.18 3kuy h ASP 85 Cb 0.20 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 3kuy h ASP 85 CO -0.02 0.28 -0.35 0.58 -1.72 0.00 0.00 179.24 178.01 3kuy h VAL 86 N 0.62 1.29 -0.60 -1.35 2.07 -1.12 -1.99 116.25 115.17 3kuy h VAL 86 Ca 0.36 -1.53 -0.05 0.00 0.82 0.00 0.00 66.70 66.30 3kuy h VAL 86 Cb 0.37 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 3kuy h VAL 86 CO -0.27 0.50 0.18 0.58 0.02 0.00 0.00 177.57 178.58 3kuy h VAL 87 N 0.60 1.24 -0.39 2.57 2.07 -0.06 0.80 116.25 123.08 3kuy h VAL 87 Ca 0.05 -0.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.64 3kuy h VAL 87 Cb 0.94 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3kuy h VAL 87 CO 0.09 0.32 -0.11 1.88 0.02 0.00 0.00 177.57 179.77 3kuy h TYR 88 N 0.85 0.75 -0.04 1.57 0.99 -0.56 -1.53 116.97 119.00 3kuy h TYR 88 Ca 0.19 -0.13 -0.01 0.00 2.00 0.00 0.00 58.73 60.79 3kuy h TYR 88 Cb 0.30 -0.20 -0.00 0.00 1.00 0.00 0.00 36.73 37.83 3kuy h TYR 88 CO 0.02 0.77 0.00 0.00 -0.00 0.00 0.00 178.16 178.95 3kuy h ALA 89 N 1.25 0.06 -0.49 3.88 0.00 -0.79 -2.65 119.26 120.53 3kuy h ALA 89 Ca 0.11 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3kuy h ALA 89 Cb 0.55 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3kuy h ALA 89 CO 0.03 -0.29 0.33 -0.07 0.00 0.00 0.00 179.25 179.25 3kuy h LEU 90 N -0.20 0.33 -0.27 0.00 3.38 -0.72 -1.25 115.31 116.58 3kuy h LEU 90 Ca 0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3kuy h LEU 90 Cb 0.30 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3kuy h LEU 90 CO 0.00 0.21 -0.09 0.50 0.09 0.00 0.00 178.44 179.15 3kuy h LYS 91 N 0.37 0.55 0.00 1.13 3.64 -1.03 0.43 116.57 121.66 3kuy h LYS 91 Ca 0.22 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kuy h LYS 91 Cb 0.37 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3kuy h LYS 91 CO -0.05 0.77 0.00 0.07 -2.27 0.00 0.00 179.45 177.97 3kuy h ARG 92 N 0.30 0.00 -0.03 1.90 0.11 -1.05 -1.90 114.38 113.70 3kuy h ARG 92 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 3kuy h ARG 92 Cb 0.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.66 3kuy h ARG 92 CO 0.03 0.00 0.00 1.04 0.10 0.00 0.00 179.97 181.14 3kuy n GLN 93 N -2.86 1.11 -2.26 0.08 1.13 -0.53 -4.90 117.38 109.15 3kuy n GLN 93 Ca 0.04 -0.16 -0.16 0.00 -1.94 0.00 0.00 57.00 54.78 3kuy n GLN 93 Cb 0.48 -1.28 -0.01 0.00 0.11 0.00 0.00 30.24 29.53 3kuy n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kuy n GLY 94 N 0.82 -0.19 2.22 1.08 0.00 -0.71 -4.93 105.19 103.48 3kuy n GLY 94 Ca 0.13 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 3kuy n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kuy n ARG 95 N -2.51 3.42 -1.54 1.61 5.12 0.15 -5.02 116.66 117.89 3kuy n ARG 95 Ca -0.19 -4.23 -0.60 0.00 -1.93 0.00 0.00 57.85 50.91 3kuy n ARG 95 Cb 0.64 -2.22 -0.09 0.00 -1.16 0.00 0.00 32.46 29.63 3kuy n ARG 95 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3kuy n THR 96 N -0.62 0.00 -4.47 0.55 -1.04 -1.11 -4.60 114.28 102.99 3kuy n THR 96 Ca 0.40 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 62.07 3kuy n THR 96 Cb 0.86 -0.42 -0.12 0.00 -1.82 0.00 0.00 70.33 68.83 3kuy n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3kuy s LEU 97 N 2.54 3.27 -0.10 -4.42 2.96 -1.26 -5.01 118.68 116.65 3kuy s LEU 97 Ca 0.92 -0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 54.73 3kuy s LEU 97 Cb -1.32 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 43.58 3kuy s LEU 97 CO 0.72 0.25 0.05 -0.31 -1.32 0.00 0.00 176.35 175.74 3kuy s TYR 98 N -0.14 3.30 0.00 5.38 1.51 -1.26 -4.68 117.35 121.45 3kuy s TYR 98 Ca 0.03 0.28 0.00 0.00 -1.01 0.00 0.00 57.07 56.36 3kuy s TYR 98 Cb -0.13 -1.86 0.00 0.00 -0.11 0.00 0.00 41.96 39.86 3kuy s TYR 98 CO 0.02 0.52 0.00 0.41 -1.11 0.00 0.00 175.55 175.39 3kuy n GLY 99 N 2.22 1.28 0.17 0.71 0.00 -1.26 -5.01 105.19 103.31 3kuy n GLY 99 Ca -0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.93 3kuy n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kuy n PHE 100 N 0.00 0.12 0.00 1.61 3.01 -1.26 -5.09 117.46 115.84 3kuy n PHE 100 Ca 0.00 -0.98 0.00 0.00 1.01 0.00 0.00 57.45 57.48 3kuy n PHE 100 Cb 0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.30 3kuy n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kuy n GLY 101 N -1.32 0.15 3.97 1.37 0.00 -1.26 -4.56 105.19 103.54 3kuy n GLY 101 Ca 0.17 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.88 3kuy n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93