#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2juf h GLY 15 N 0.00 0.05 1.02 2.98 0.00 -1.85 -1.84 103.07 103.43 2juf h GLY 15 Ca 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 47.33 47.16 2juf h GLY 15 CO 0.00 0.03 -0.37 -2.09 0.00 0.00 0.00 176.54 174.11 2juf h GLU 16 N 0.04 0.76 -0.04 4.80 4.81 -1.99 -2.25 114.58 120.71 2juf h GLU 16 Ca 0.01 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2juf h GLU 16 Cb 0.43 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 2juf h GLU 16 CO 0.03 1.06 0.03 -0.92 -0.73 0.00 0.00 179.01 178.47 2juf h TYR 17 N 0.51 0.05 -0.45 0.92 3.20 -1.89 -2.69 116.97 116.62 2juf h TYR 17 Ca 0.04 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 2juf h TYR 17 Cb 0.95 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 2juf h TYR 17 CO 0.07 0.05 -0.00 -0.39 -1.64 0.00 0.00 178.16 176.26 2juf h VAL 18 N 0.04 1.23 -0.54 1.81 -1.51 -1.42 -2.32 116.25 113.54 2juf h VAL 18 Ca 0.02 -0.96 0.14 0.00 -1.23 0.00 0.00 66.70 64.66 2juf h VAL 18 Cb 0.01 0.89 -0.03 0.00 -2.13 0.00 0.00 31.29 30.04 2juf h VAL 18 CO -0.00 0.34 0.38 -0.61 -1.23 0.00 0.00 177.57 176.44 2juf h GLN 19 N 0.69 0.10 0.00 5.19 -0.00 -1.09 -0.27 115.11 119.73 2juf h GLN 19 Ca 0.14 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.78 2juf h GLN 19 Cb 0.43 -0.02 -0.00 0.00 0.00 0.00 0.00 27.48 27.88 2juf h GLN 19 CO 0.02 0.06 -0.03 1.96 0.00 0.00 0.00 178.83 180.84 2juf h GLN 20 N 0.10 0.00 -0.00 1.69 1.08 -1.17 -3.39 115.11 113.43 2juf h GLN 20 Ca 0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 2juf h GLN 20 Cb 0.89 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 2juf h GLN 20 CO -0.03 0.72 -0.10 -2.37 -0.95 0.00 0.00 178.83 176.10 2juf n THR 21 N -4.65 0.00 -2.06 -0.54 5.66 -0.91 -4.77 114.28 107.01 2juf n THR 21 Ca -0.08 -0.02 -0.42 0.00 -3.05 0.00 0.00 64.05 60.49 2juf n THR 21 Cb 0.35 -0.27 -0.03 0.00 -1.55 0.00 0.00 70.33 68.83 2juf n THR 21 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2juf s LEU 22 N -2.74 3.46 -0.01 1.09 2.01 -0.16 -5.00 118.68 117.32 2juf s LEU 22 Ca 0.21 0.97 -0.21 0.00 0.01 0.00 0.00 54.13 55.11 2juf s LEU 22 Cb 0.19 -3.24 -0.05 0.00 0.01 0.00 0.00 46.19 43.10 2juf s LEU 22 CO 0.52 -1.86 0.62 -1.58 1.01 0.00 0.00 176.35 175.06 2juf s GLN 23 N 5.95 4.35 -0.80 1.70 0.74 -1.26 -5.00 119.66 125.33 2juf s GLN 23 Ca 0.74 0.77 -0.24 0.00 0.05 0.00 0.00 55.36 56.67 2juf s GLN 23 Cb -0.18 -3.36 -0.16 0.00 1.10 0.00 0.00 33.01 30.41 2juf s GLN 23 CO 0.30 0.32 2.39 -2.30 -0.55 0.00 0.00 175.29 175.46 2juf n PRO 24 N 2.87 0.52 0.00 1.67 -0.02 -1.26 -1.71 135.00 137.07 2juf n PRO 24 Ca -0.06 -0.73 0.00 0.00 -2.02 0.00 0.00 63.50 60.69 2juf n PRO 24 Cb 0.51 -3.42 0.00 0.00 -0.02 0.00 0.00 33.50 30.57 2juf n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2juf n GLY 25 N 6.65 -0.21 3.93 -1.23 0.00 -0.80 -5.02 105.19 108.50 2juf n GLY 25 Ca 0.49 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.25 2juf n GLY 25 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2juf s MET 26 N 0.00 2.94 -0.04 1.61 0.23 -0.69 -4.83 119.30 118.52 2juf s MET 26 Ca 0.00 -0.12 -0.12 0.00 -1.03 0.00 0.00 55.69 54.42 2juf s MET 26 Cb 0.00 -2.33 -0.05 0.00 -1.53 0.00 0.00 34.83 30.92 2juf s MET 26 CO 0.00 -0.61 0.32 0.50 -2.03 0.00 0.00 175.02 173.19 2juf s ARG 27 N -4.90 3.75 0.45 3.16 3.00 -1.26 -1.12 118.95 122.03 2juf s ARG 27 Ca 0.53 0.22 0.06 0.00 -1.00 0.00 0.00 55.73 55.54 2juf s ARG 27 Cb -0.10 -3.21 -0.04 0.00 0.00 0.00 0.00 34.95 31.59 2juf s ARG 27 CO 0.44 0.72 0.10 0.14 0.00 0.00 0.00 175.30 176.69 2juf s VAL 28 N -1.06 1.86 -0.04 7.11 -7.23 -0.55 -1.53 120.40 118.95 2juf s VAL 28 Ca 0.21 -1.86 -0.07 0.00 -1.81 0.00 0.00 61.98 58.45 2juf s VAL 28 Cb -0.15 -2.72 0.01 0.00 0.56 0.00 0.00 36.38 34.08 2juf s VAL 28 CO 0.10 0.00 0.17 -0.60 -0.31 0.00 0.00 175.10 174.46 2juf s ARG 29 N -3.86 0.33 -0.09 4.82 6.06 0.16 -1.85 118.95 124.51 2juf s ARG 29 Ca 0.30 0.00 -0.10 0.00 -2.50 0.00 0.00 55.73 53.43 2juf s ARG 29 Cb 0.05 0.14 -0.05 0.00 0.06 0.00 0.00 34.95 35.16 2juf s ARG 29 CO 0.16 -0.06 0.23 1.41 -2.50 0.00 0.00 175.30 174.54 2juf s MET 30 N -0.49 3.67 0.00 5.12 -2.45 -0.56 -1.80 119.30 122.79 2juf s MET 30 Ca -0.06 0.05 0.08 0.00 -1.25 0.00 0.00 55.69 54.51 2juf s MET 30 Cb -0.04 -3.22 -0.04 0.00 1.25 0.00 0.00 34.83 32.78 2juf s MET 30 CO 0.01 0.70 0.44 1.47 1.05 0.00 0.00 175.02 178.69 2juf n LEU 31 N 2.07 0.71 -4.50 4.11 -0.00 -1.25 -1.86 117.00 116.28 2juf n LEU 31 Ca -0.17 -0.63 -0.24 0.00 -0.00 0.00 0.00 56.01 54.97 2juf n LEU 31 Cb 0.54 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.86 2juf n LEU 31 CO 0.34 0.15 -0.26 -0.62 -0.00 0.00 0.00 177.39 177.01 2juf s ASP 32 N -1.45 2.72 0.10 1.45 2.15 -1.26 -4.77 116.67 115.61 2juf s ASP 32 Ca 0.05 -1.46 -0.15 0.00 0.43 0.00 0.00 52.55 51.42 2juf s ASP 32 Cb 0.06 0.05 -0.06 0.00 -0.30 0.00 0.00 42.92 42.66 2juf s ASP 32 CO 0.26 -0.68 0.51 -0.62 -0.17 0.00 0.00 175.17 174.47 2juf s ASP 33 N -3.56 6.85 0.29 -0.34 2.15 -1.26 -1.74 116.67 119.06 2juf s ASP 33 Ca 0.32 1.06 0.02 0.00 0.43 0.00 0.00 52.55 54.38 2juf s ASP 33 Cb 0.07 -2.28 -0.05 0.00 -0.30 0.00 0.00 42.92 40.36 2juf s ASP 33 CO 0.15 0.19 0.11 -0.31 -0.17 0.00 0.00 175.17 175.13 2juf s TYR 34 N -1.32 1.65 0.26 -5.34 1.51 0.84 -4.98 117.35 109.97 2juf s TYR 34 Ca 0.33 -1.20 -0.05 0.00 -1.01 0.00 0.00 57.07 55.14 2juf s TYR 34 Cb -0.16 -0.98 0.51 0.00 -0.11 0.00 0.00 41.96 41.22 2juf s TYR 34 CO 0.18 -0.32 1.63 0.93 -1.11 0.00 0.00 175.55 176.87 2juf h GLU 35 N 2.24 0.12 0.00 -0.62 4.39 -1.99 -3.29 114.58 115.43 2juf h GLU 35 Ca -0.37 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.32 2juf h GLU 35 Cb 1.25 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 2juf h GLU 35 CO 0.60 0.08 0.00 -0.85 -1.16 0.00 0.00 179.01 177.68 2juf n GLU 36 N -5.33 -0.01 -4.52 2.33 0.28 -1.26 -5.06 120.64 107.07 2juf n GLU 36 Ca 0.16 -0.12 -0.31 0.00 -0.16 0.00 0.00 57.16 56.73 2juf n GLU 36 Cb 0.53 -0.52 -0.12 0.00 1.43 0.00 0.00 31.44 32.76 2juf n GLU 36 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2juf s ILE 37 N -0.01 2.98 0.22 3.84 1.09 -1.24 -4.57 121.20 123.51 2juf s ILE 37 Ca 0.00 -1.20 0.04 0.00 -1.10 0.00 0.00 60.65 58.39 2juf s ILE 37 Cb 0.00 -2.30 -0.05 0.00 -1.06 0.00 0.00 42.46 39.05 2juf s ILE 37 CO 0.00 0.28 -0.03 -0.44 -0.10 0.00 0.00 174.94 174.64 2juf s SER 38 N -1.65 1.90 -0.13 3.58 0.01 -1.26 -0.11 113.70 116.04 2juf s SER 38 Ca 0.16 -1.17 -0.30 0.00 1.31 0.00 0.00 55.95 55.95 2juf s SER 38 Cb -0.11 -0.01 -0.08 0.00 0.21 0.00 0.00 66.02 66.03 2juf s SER 38 CO 0.07 -0.45 2.10 0.00 0.41 0.00 0.00 173.24 175.36 2juf n ALA 39 N -0.38 1.52 0.00 1.44 0.00 -0.71 -1.85 120.51 120.53 2juf n ALA 39 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2juf n ALA 39 Cb 0.63 -2.75 0.00 0.00 0.00 0.00 0.00 19.45 17.33 2juf n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2juf n GLY 40 N 5.27 2.13 3.76 0.00 0.00 -0.77 -4.97 105.19 110.61 2juf n GLY 40 Ca 0.27 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 2juf n GLY 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2juf s ASP 41 N -0.33 5.79 0.07 1.61 2.15 -0.77 -4.78 116.67 120.41 2juf s ASP 41 Ca 0.00 2.56 0.10 0.00 0.43 0.00 0.00 52.55 55.64 2juf s ASP 41 Cb 0.00 -2.62 -0.03 0.00 -0.30 0.00 0.00 42.92 39.97 2juf s ASP 41 CO 0.00 -1.20 -0.26 -1.61 -0.17 0.00 0.00 175.17 171.93 2juf s GLU 42 N -2.73 1.63 0.00 4.34 2.02 -1.26 -1.49 118.70 121.21 2juf s GLU 42 Ca 0.66 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 54.47 2juf s GLU 42 Cb -0.35 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 31.97 2juf s GLU 42 CO 0.43 0.48 0.00 0.41 0.02 0.00 0.00 175.26 176.60 2juf n GLY 43 N 1.49 4.84 2.95 -1.39 0.00 -0.77 -1.74 105.19 110.57 2juf n GLY 43 Ca -0.17 -1.98 -0.15 0.00 0.00 0.00 0.00 46.02 43.73 2juf n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2juf s GLU 44 N -1.26 0.35 -0.17 1.61 2.12 -0.60 -1.49 118.70 119.27 2juf s GLU 44 Ca 0.00 -0.22 -0.29 0.00 0.36 0.00 0.00 54.97 54.81 2juf s GLU 44 Cb 0.00 -0.30 -0.01 0.00 0.26 0.00 0.00 34.13 34.07 2juf s GLU 44 CO 0.00 0.08 1.28 0.12 -0.54 0.00 0.00 175.26 176.20 2juf s PHE 45 N -0.27 2.80 -0.15 5.30 5.36 -0.27 -1.67 117.98 129.07 2juf s PHE 45 Ca -0.00 0.97 -0.07 0.00 -0.96 0.00 0.00 56.93 56.86 2juf s PHE 45 Cb -0.03 -3.55 -0.07 0.00 -0.34 0.00 0.00 43.02 39.04 2juf s PHE 45 CO -0.00 -1.79 -0.19 0.54 -1.46 0.00 0.00 175.22 172.32 2juf n ARG 46 N 6.68 0.33 -3.60 10.12 5.12 -1.25 -1.91 116.66 132.15 2juf n ARG 46 Ca 0.14 0.14 -0.09 0.00 -1.93 0.00 0.00 57.85 56.11 2juf n ARG 46 Cb 0.45 -1.06 -0.02 0.00 -1.16 0.00 0.00 32.46 30.67 2juf n ARG 46 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 2juf s GLN 47 N -2.28 1.36 0.26 5.56 0.00 -1.24 -4.92 119.66 118.40 2juf s GLN 47 Ca -0.21 -0.62 0.02 0.00 -0.00 0.00 0.00 55.36 54.55 2juf s GLN 47 Cb 0.08 0.55 -0.05 0.00 0.00 0.00 0.00 33.01 33.58 2juf s GLN 47 CO 0.27 -0.61 0.06 -1.54 0.00 0.00 0.00 175.29 173.47 2juf s SER 48 N -2.78 1.64 -0.06 12.60 1.04 -1.26 -3.57 113.70 121.31 2juf s SER 48 Ca 0.06 -1.33 -0.01 0.00 0.48 0.00 0.00 55.95 55.15 2juf s SER 48 Cb -0.03 0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.18 2juf s SER 48 CO -0.05 -0.64 0.02 0.20 0.98 0.00 0.00 173.24 173.75 2juf s ASN 49 N -3.35 1.29 0.10 7.02 0.01 -1.26 -4.98 114.94 113.77 2juf s ASN 49 Ca 0.34 -0.03 -0.11 0.00 -0.71 0.00 0.00 52.86 52.36 2juf s ASN 49 Cb 0.07 -0.32 -0.16 0.00 0.41 0.00 0.00 41.25 41.25 2juf s ASN 49 CO 0.12 -0.20 1.26 0.78 -1.51 0.00 0.00 177.10 177.56 2juf h ASN 50 N 8.20 0.82 0.78 -1.22 2.35 -1.99 -3.32 115.58 121.20 2juf h ASN 50 Ca -0.21 -0.61 0.00 0.00 -0.55 0.00 0.00 56.30 54.93 2juf h ASN 50 Cb 1.12 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.25 2juf h ASN 50 CO 0.26 1.41 -1.06 0.61 -1.65 0.00 0.00 177.43 177.00 2juf n GLY 51 N 0.92 -1.37 3.28 2.83 0.00 -1.26 -4.60 105.19 104.99 2juf n GLY 51 Ca -0.09 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 2juf n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2juf s ILE 52 N -3.32 4.59 0.61 -0.61 -1.09 -1.25 -5.02 121.20 115.11 2juf s ILE 52 Ca 0.00 -1.48 0.37 0.00 -2.23 0.00 0.00 60.65 57.32 2juf s ILE 52 Cb 0.11 -3.89 0.40 0.00 -1.58 0.00 0.00 42.46 37.51 2juf s ILE 52 CO 0.79 -0.67 2.30 1.55 -1.23 0.00 0.00 174.94 177.69 2juf h PRO 53 N 8.57 0.00 -6.52 2.79 0.13 -1.81 -3.40 132.00 131.77 2juf h PRO 53 Ca -0.25 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.32 2juf h PRO 53 Cb 1.09 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.16 2juf h PRO 53 CO 0.86 0.01 1.01 -1.25 -0.23 0.00 0.00 178.00 178.40 2juf s PRO 54 N -4.34 3.70 0.22 1.56 0.04 -1.26 -2.70 135.00 132.22 2juf s PRO 54 Ca -0.05 0.94 -0.22 0.00 0.04 0.00 0.00 61.00 61.71 2juf s PRO 54 Cb 0.14 -3.96 -0.08 0.00 0.04 0.00 0.00 34.50 30.63 2juf s PRO 54 CO 0.48 -1.41 0.77 0.54 0.04 0.00 0.00 177.00 177.42 2juf s VAL 55 N 4.94 4.45 -0.22 -0.36 0.11 0.64 -4.67 120.40 125.29 2juf s VAL 55 Ca 0.57 1.50 -0.18 0.00 -2.93 0.00 0.00 61.98 60.94 2juf s VAL 55 Cb -0.13 -3.97 -0.03 0.00 -1.53 0.00 0.00 36.38 30.72 2juf s VAL 55 CO 0.30 0.31 0.50 -1.10 -3.33 0.00 0.00 175.10 171.77 2juf s GLN 56 N -1.70 4.14 -0.01 1.54 1.11 -1.23 -1.42 119.66 122.08 2juf s GLN 56 Ca 0.41 0.35 0.01 0.00 0.01 0.00 0.00 55.36 56.15 2juf s GLN 56 Cb -0.19 -3.59 0.00 0.00 -1.01 0.00 0.00 33.01 28.22 2juf s GLN 56 CO 0.23 -0.21 -0.04 0.14 0.01 0.00 0.00 175.29 175.41 2juf s VAL 57 N 1.86 0.37 -0.60 1.09 -7.23 -0.96 -3.67 120.40 111.25 2juf s VAL 57 Ca 0.22 -0.17 -0.26 0.00 -1.81 0.00 0.00 61.98 59.96 2juf s VAL 57 Cb -0.15 -0.34 0.04 0.00 0.56 0.00 0.00 36.38 36.49 2juf s VAL 57 CO 0.09 0.12 1.10 0.12 -0.31 0.00 0.00 175.10 176.22 2juf s PHE 58 N 0.09 2.63 -0.10 2.82 2.19 -0.67 -1.47 117.98 123.47 2juf s PHE 58 Ca -0.01 0.12 -0.24 0.00 0.33 0.00 0.00 56.93 57.14 2juf s PHE 58 Cb -0.04 -4.36 -0.03 0.00 -1.31 0.00 0.00 43.02 37.28 2juf s PHE 58 CO -0.00 -1.58 0.72 -1.58 1.83 0.00 0.00 175.22 174.61 2juf s TRP 59 N 4.64 3.53 0.12 10.12 0.52 -0.32 -1.55 118.94 135.99 2juf s TRP 59 Ca 0.36 1.23 0.24 0.00 0.02 0.00 0.00 56.10 57.95 2juf s TRP 59 Cb -0.10 -2.85 0.92 0.00 -1.15 0.00 0.00 33.47 30.29 2juf s TRP 59 CO 0.21 -0.00 1.82 -0.56 0.02 0.00 0.00 176.95 178.44 2juf h GLN 60 N 6.94 0.00 0.07 4.98 -0.00 -1.65 0.18 115.11 125.63 2juf h GLN 60 Ca -0.38 0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.11 2juf h GLN 60 Cb 1.18 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 28.68 2juf h GLN 60 CO 0.77 0.21 -0.68 1.03 -0.00 0.00 0.00 178.83 180.16 2juf h SER 61 N 0.00 0.47 1.39 0.06 0.87 -1.94 -3.29 113.55 111.12 2juf h SER 61 Ca -0.00 -0.87 0.00 0.00 -1.23 0.00 0.00 61.79 59.69 2juf h SER 61 Cb 0.75 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2juf h SER 61 CO 0.03 1.29 -0.50 0.00 -0.53 0.00 0.00 176.83 177.12 2juf h THR 62 N -0.28 0.00 -0.26 2.23 1.03 -1.80 -3.48 112.91 110.35 2juf h THR 62 Ca -0.11 -0.89 -0.08 0.00 -0.01 0.00 0.00 66.41 65.32 2juf h THR 62 Cb 1.46 1.63 -0.03 0.00 -1.07 0.00 0.00 68.15 70.15 2juf h THR 62 CO 0.13 0.00 -0.08 0.61 -0.01 0.00 0.00 175.52 176.17 2juf n GLY 63 N 1.18 0.58 3.58 2.99 0.00 0.61 -5.01 105.19 109.11 2juf n GLY 63 Ca 0.02 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 2juf n GLY 63 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2juf s ARG 64 N -2.71 1.50 -0.14 1.61 1.70 -1.05 -4.93 118.95 114.94 2juf s ARG 64 Ca 0.00 -1.13 -0.23 0.00 -0.47 0.00 0.00 55.73 53.90 2juf s ARG 64 Cb 0.00 0.49 -0.03 0.00 -0.57 0.00 0.00 34.95 34.84 2juf s ARG 64 CO 0.00 -0.63 0.71 0.99 -1.08 0.00 0.00 175.30 175.29 2juf s THR 65 N -3.97 4.99 0.09 4.99 2.01 -1.26 -1.18 115.64 121.31 2juf s THR 65 Ca 0.18 1.41 0.02 0.00 0.31 0.00 0.00 61.69 63.61 2juf s THR 65 Cb -0.01 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2juf s THR 65 CO 0.05 0.14 -0.07 -0.47 -0.69 0.00 0.00 174.62 173.59 2juf s TYR 66 N 1.52 0.86 -0.43 4.92 5.04 -0.54 -4.85 117.35 123.87 2juf s TYR 66 Ca 0.35 -0.80 -0.24 0.00 -2.44 0.00 0.00 57.07 53.93 2juf s TYR 66 Cb -0.17 -0.50 0.02 0.00 0.35 0.00 0.00 41.96 41.67 2juf s TYR 66 CO 0.14 -0.12 0.86 -1.58 -1.34 0.00 0.00 175.55 173.51 2juf s TRP 67 N -3.03 2.99 0.07 4.97 0.51 -1.26 -2.26 118.94 120.93 2juf s TRP 67 Ca 0.07 0.39 0.05 0.00 -2.12 0.00 0.00 56.10 54.48 2juf s TRP 67 Cb 0.01 -3.76 -0.03 0.00 -0.81 0.00 0.00 33.47 28.88 2juf s TRP 67 CO -0.03 -0.98 -0.13 0.14 -0.51 0.00 0.00 176.95 175.44 2juf s VAL 68 N 3.49 1.02 0.38 4.03 -7.23 -0.51 -4.90 120.40 116.68 2juf s VAL 68 Ca 0.34 -1.32 -0.24 0.00 -1.81 0.00 0.00 61.98 58.96 2juf s VAL 68 Cb -0.11 -1.04 -0.10 0.00 0.56 0.00 0.00 36.38 35.69 2juf s VAL 68 CO 0.23 -0.29 0.98 -2.28 -0.31 0.00 0.00 175.10 173.43 2juf s HIS 69 N -1.43 3.44 0.11 2.82 2.46 -1.26 -0.26 115.29 121.17 2juf s HIS 69 Ca -0.02 1.69 -0.21 0.00 0.47 0.00 0.00 55.06 56.99 2juf s HIS 69 Cb -0.09 -2.96 -0.08 0.00 -0.13 0.00 0.00 32.58 29.31 2juf s HIS 69 CO 0.02 -0.15 1.76 -1.49 -2.47 0.00 0.00 174.74 172.41 2juf h TRP 70 N 2.57 0.14 0.00 3.88 4.06 -1.84 -1.28 115.95 123.49 2juf h TRP 70 Ca -0.48 0.01 -0.07 0.00 2.06 0.00 0.00 58.89 60.41 2juf h TRP 70 Cb 1.20 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 29.30 2juf h TRP 70 CO 0.60 0.09 -0.32 1.25 -3.56 0.00 0.00 178.44 176.50 2juf h HIS 71 N 0.16 0.00 -0.47 0.49 2.76 -1.87 -1.89 115.15 114.33 2juf h HIS 71 Ca 0.06 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2juf h HIS 71 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 2juf h HIS 71 CO -0.08 0.32 0.00 -1.33 -1.30 0.00 0.00 177.93 175.53 2juf n MET 72 N -3.86 2.16 -3.92 5.26 2.81 -1.03 -4.74 117.12 113.80 2juf n MET 72 Ca -0.01 -1.79 -0.35 0.00 -1.81 0.00 0.00 57.70 53.73 2juf n MET 72 Cb 0.39 -1.40 -0.14 0.00 -0.71 0.00 0.00 33.22 31.36 2juf n MET 72 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 2juf s LEU 73 N -1.09 2.87 -0.12 4.03 2.96 -0.51 -3.93 118.68 122.88 2juf s LEU 73 Ca 0.34 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 53.82 2juf s LEU 73 Cb 0.18 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 2juf s LEU 73 CO 0.24 -0.02 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.54 2juf s GLU 74 N 1.47 3.27 -0.23 1.98 2.12 -0.74 -4.93 118.70 121.64 2juf s GLU 74 Ca 0.06 -0.45 -0.04 0.00 0.36 0.00 0.00 54.97 54.90 2juf s GLU 74 Cb -0.14 -2.85 -0.00 0.00 0.26 0.00 0.00 34.13 31.39 2juf s GLU 74 CO -0.04 0.52 -0.03 0.96 -0.54 0.00 0.00 175.26 176.13 2juf s ILE 75 N -0.37 3.41 -2.65 -3.70 -4.36 -1.26 0.37 121.20 112.64 2juf s ILE 75 Ca 0.07 -0.56 0.25 0.00 -0.26 0.00 0.00 60.65 60.15 2juf s ILE 75 Cb -0.12 -2.59 0.28 0.00 1.25 0.00 0.00 42.46 41.27 2juf s ILE 75 CO 0.02 0.36 1.40 0.18 0.24 0.00 0.00 174.94 177.15 2juf n LEU 76 N 4.80 2.30 0.00 0.37 4.32 -1.25 -4.94 117.00 122.60 2juf n LEU 76 Ca -0.18 -0.77 0.00 0.00 -0.02 0.00 0.00 56.01 55.04 2juf n LEU 76 Cb 0.50 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 2juf n LEU 76 CO 0.29 0.39 0.21 0.61 -1.22 0.00 0.00 177.39 177.67