#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 0.02 0.58 2.98 0.00 -1.87 -1.41 103.07 103.37 2juf h GLY 15 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 2juf h GLY 15 CO 0.00 0.02 -0.17 -2.09 0.00 0.00 0.00 176.54 174.30 2juf h GLU 16 N 0.02 0.22 -0.24 4.80 4.57 -2.00 -3.28 114.58 118.67 2juf h GLU 16 Ca -0.00 -0.15 0.03 0.00 -1.18 0.00 0.00 59.36 58.06 2juf h GLU 16 Cb 0.63 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.21 2juf h GLU 16 CO 0.05 0.77 0.05 -0.92 -1.18 0.00 0.00 179.01 177.78 2juf h TYR 17 N -0.30 0.09 -0.70 0.92 3.20 -1.90 -1.48 116.97 116.80 2juf h TYR 17 Ca -0.00 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.92 2juf h TYR 17 Cb 0.78 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 39.00 2juf h TYR 17 CO 0.13 0.03 0.43 -0.39 -1.64 0.00 0.00 178.16 176.72 2juf h VAL 18 N 0.15 1.07 -0.13 1.81 -1.51 -1.44 -0.97 116.25 115.23 2juf h VAL 18 Ca 0.11 -0.29 -0.02 0.00 -1.23 0.00 0.00 66.70 65.27 2juf h VAL 18 Cb 0.10 0.16 -0.01 0.00 -2.13 0.00 0.00 31.29 29.41 2juf h VAL 18 CO -0.14 0.15 -0.02 -0.61 -1.23 0.00 0.00 177.57 175.72 2juf h GLN 19 N 0.84 0.19 0.05 5.19 4.15 -1.37 0.26 115.11 124.42 2juf h GLN 19 Ca 0.29 -0.03 -0.26 0.00 0.77 0.00 0.00 58.65 59.43 2juf h GLN 19 Cb 0.05 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 2juf h GLN 19 CO -0.12 0.23 -1.26 1.96 -1.93 0.00 0.00 178.83 177.71 2juf h GLN 20 N 0.19 0.11 -0.39 1.69 1.08 -0.48 -3.34 115.11 113.98 2juf h GLN 20 Ca 0.04 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 2juf h GLN 20 Cb 0.17 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 2juf h GLN 20 CO 0.01 1.01 0.00 -2.37 -0.95 0.00 0.00 178.83 176.52 2juf n THR 21 N -3.37 0.83 -2.03 -0.54 5.66 -0.45 -4.97 114.28 109.41 2juf n THR 21 Ca -0.08 -0.92 -0.43 0.00 -3.05 0.00 0.00 64.05 59.58 2juf n THR 21 Cb 1.00 0.63 -0.03 0.00 -1.55 0.00 0.00 70.33 70.38 2juf n THR 21 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2juf s LEU 22 N -1.04 4.14 0.00 1.09 1.98 0.89 -4.99 118.68 120.74 2juf s LEU 22 Ca 0.28 2.01 -0.23 0.00 -2.89 0.00 0.00 54.13 53.29 2juf s LEU 22 Cb 0.15 -3.53 -0.05 0.00 0.66 0.00 0.00 46.19 43.42 2juf s LEU 22 CO 0.20 -1.08 0.71 -1.10 -1.89 0.00 0.00 176.35 173.19 2juf s GLN 23 N 4.35 4.44 -0.99 1.98 -1.52 -1.26 -4.99 119.66 121.66 2juf s GLN 23 Ca 0.74 0.94 -0.24 0.00 -1.95 0.00 0.00 55.36 54.85 2juf s GLN 23 Cb -0.30 -3.38 -0.04 0.00 -0.22 0.00 0.00 33.01 29.06 2juf s GLN 23 CO 0.29 0.24 1.89 -1.25 -0.25 0.00 0.00 175.29 176.22 2juf s PRO 24 N 0.15 2.69 0.00 2.91 0.04 -1.26 -2.28 135.00 137.25 2juf s PRO 24 Ca 0.36 -0.64 0.00 0.00 0.04 0.00 0.00 61.00 60.77 2juf s PRO 24 Cb -0.19 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.20 2juf s PRO 24 CO 0.20 -3.36 0.00 0.41 0.04 0.00 0.00 177.00 174.29 2juf n GLY 25 N 6.56 1.98 3.96 0.56 0.00 -0.26 -5.01 105.19 112.98 2juf n GLY 25 Ca 0.41 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.20 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 2.63 0.19 1.61 0.23 -0.97 -4.78 119.30 118.21 2juf s MET 26 Ca 0.00 -0.60 -0.12 0.00 -1.03 0.00 0.00 55.69 53.94 2juf s MET 26 Cb 0.00 -2.44 -0.07 0.00 -1.53 0.00 0.00 34.83 30.79 2juf s MET 26 CO 0.00 -0.69 0.56 -0.98 -2.03 0.00 0.00 175.02 171.87 2juf s ARG 27 N -4.80 3.91 0.24 3.16 1.04 -1.26 -1.42 118.95 119.82 2juf s ARG 27 Ca 0.56 0.41 0.05 0.00 -1.04 0.00 0.00 55.73 55.71 2juf s ARG 27 Cb -0.10 -2.80 -0.05 0.00 -2.04 0.00 0.00 34.95 29.96 2juf s ARG 27 CO 0.40 0.40 -0.03 0.08 -0.04 0.00 0.00 175.30 176.11 2juf s VAL 28 N -1.63 1.26 -0.14 4.99 1.01 -0.18 -3.77 120.40 121.95 2juf s VAL 28 Ca 0.42 -2.07 -0.09 0.00 0.00 0.00 0.00 61.98 60.25 2juf s VAL 28 Cb -0.13 -2.34 0.05 0.00 0.00 0.00 0.00 36.38 33.95 2juf s VAL 28 CO 0.20 -0.35 0.34 -0.60 0.00 0.00 0.00 175.10 174.69 2juf s ARG 29 N -3.81 0.34 -0.41 2.72 3.00 0.27 -1.78 118.95 119.29 2juf s ARG 29 Ca 0.28 0.62 -0.27 0.00 -1.00 0.00 0.00 55.73 55.36 2juf s ARG 29 Cb 0.05 0.02 0.02 0.00 0.00 0.00 0.00 34.95 35.04 2juf s ARG 29 CO 0.09 -0.13 1.00 1.41 0.00 0.00 0.00 175.30 177.67 2juf s MET 30 N 0.98 3.77 0.00 5.12 -2.45 -0.11 -1.95 119.30 124.66 2juf s MET 30 Ca -0.07 0.54 0.29 0.00 -1.25 0.00 0.00 55.69 55.20 2juf s MET 30 Cb -0.07 -3.85 1.23 0.00 1.25 0.00 0.00 34.83 33.39 2juf s MET 30 CO -0.07 -1.11 1.85 1.47 1.05 0.00 0.00 175.02 178.21 2juf n LEU 31 N 7.13 0.72 -4.42 4.11 -0.00 -1.24 -1.15 117.00 122.15 2juf n LEU 31 Ca 0.09 -0.15 -0.21 0.00 -0.00 0.00 0.00 56.01 55.73 2juf n LEU 31 Cb 0.48 -0.10 -0.10 0.00 -0.00 0.00 0.00 43.42 43.70 2juf n LEU 31 CO 0.63 0.13 -0.40 -0.62 -0.00 0.00 0.00 177.39 177.12 2juf s ASP 32 N -2.29 2.89 -0.31 1.45 2.15 -1.26 -4.93 116.67 114.37 2juf s ASP 32 Ca 0.33 -1.12 -0.13 0.00 0.43 0.00 0.00 52.55 52.06 2juf s ASP 32 Cb 0.20 -0.19 -0.03 0.00 -0.30 0.00 0.00 42.92 42.61 2juf s ASP 32 CO 0.43 -0.24 0.27 -0.62 -0.17 0.00 0.00 175.17 174.85 2juf s ASP 33 N -3.43 6.10 0.47 -0.34 2.15 -1.26 -2.99 116.67 117.37 2juf s ASP 33 Ca 0.28 -0.16 0.07 0.00 0.43 0.00 0.00 52.55 53.17 2juf s ASP 33 Cb 0.01 -2.16 0.01 0.00 -0.30 0.00 0.00 42.92 40.49 2juf s ASP 33 CO 0.11 -0.20 0.45 -0.31 -0.17 0.00 0.00 175.17 175.06 2juf s TYR 34 N 1.85 2.27 0.23 -5.34 1.51 0.36 -4.96 117.35 113.28 2juf s TYR 34 Ca 0.09 -0.60 -0.06 0.00 -1.01 0.00 0.00 57.07 55.49 2juf s TYR 34 Cb -0.17 -2.13 0.41 0.00 -0.11 0.00 0.00 41.96 39.97 2juf s TYR 34 CO 0.11 -0.37 1.73 0.93 -1.11 0.00 0.00 175.55 176.83 2juf h GLU 35 N 0.82 0.39 0.00 -0.62 4.39 -1.98 -3.25 114.58 114.33 2juf h GLU 35 Ca -0.39 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.29 2juf h GLU 35 Cb 1.28 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2juf h GLU 35 CO 0.54 0.26 0.00 -0.85 -1.16 0.00 0.00 179.01 177.80 2juf n GLU 36 N -5.03 0.19 -5.17 2.33 0.28 -1.26 -5.05 120.64 106.93 2juf n GLU 36 Ca 0.13 -0.42 -0.32 0.00 -0.16 0.00 0.00 57.16 56.39 2juf n GLU 36 Cb 0.38 -0.66 -0.15 0.00 1.43 0.00 0.00 31.44 32.44 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 -0.13 2.32 0.16 3.84 1.09 -1.23 -4.34 121.20 122.92 2juf s ILE 37 Ca 0.00 -0.98 0.02 0.00 -1.10 0.00 0.00 60.65 58.58 2juf s ILE 37 Cb 0.00 -1.86 -0.04 0.00 -1.06 0.00 0.00 42.46 39.51 2juf s ILE 37 CO 0.00 0.57 0.31 -0.44 -0.10 0.00 0.00 174.94 175.28 2juf s SER 38 N -0.39 6.35 -0.21 3.58 0.01 -1.26 -0.48 113.70 121.30 2juf s SER 38 Ca 0.03 0.22 -0.29 0.00 1.31 0.00 0.00 55.95 57.22 2juf s SER 38 Cb -0.12 -1.93 -0.03 0.00 0.21 0.00 0.00 66.02 64.15 2juf s SER 38 CO 0.02 0.03 1.76 0.00 0.41 0.00 0.00 173.24 175.45 2juf s ALA 39 N -1.78 3.18 0.00 1.44 0.00 -1.16 -2.44 121.76 120.99 2juf s ALA 39 Ca 0.35 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.89 2juf s ALA 39 Cb -0.11 -3.90 0.00 0.00 0.00 0.00 0.00 23.12 19.11 2juf s ALA 39 CO 0.29 -2.11 0.00 0.41 0.00 0.00 0.00 175.76 174.35 2juf n GLY 40 N 4.90 1.20 3.77 0.00 0.00 -0.30 -4.99 105.19 109.77 2juf n GLY 40 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 2juf n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2juf s ASP 41 N -0.58 4.74 0.23 1.61 1.01 -1.02 -4.75 116.67 117.91 2juf s ASP 41 Ca 0.00 1.88 0.10 0.00 0.71 0.00 0.00 52.55 55.24 2juf s ASP 41 Cb 0.00 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 2juf s ASP 41 CO 0.00 -1.88 -0.14 -1.61 0.21 0.00 0.00 175.17 171.76 2juf s GLU 42 N -4.62 1.89 0.13 8.23 2.02 -1.26 -0.94 118.70 124.15 2juf s GLU 42 Ca 0.63 -1.51 0.02 0.00 0.02 0.00 0.00 54.97 54.13 2juf s GLU 42 Cb -0.18 -1.98 -0.01 0.00 0.10 0.00 0.00 34.13 32.06 2juf s GLU 42 CO 0.51 0.38 0.14 0.41 0.02 0.00 0.00 175.26 176.72 2juf n GLY 43 N -0.32 3.28 2.98 -1.39 0.00 -0.74 -2.72 105.19 106.29 2juf n GLY 43 Ca -0.08 -1.65 -0.15 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.44 0.44 -0.28 1.61 2.12 -0.83 -1.01 118.70 118.31 2juf s GLU 44 Ca 0.14 -0.33 -0.23 0.00 0.36 0.00 0.00 54.97 54.91 2juf s GLU 44 Cb 0.00 -0.37 -0.01 0.00 0.26 0.00 0.00 34.13 34.01 2juf s GLU 44 CO 0.10 0.10 0.75 0.12 -0.54 0.00 0.00 175.26 175.78 2juf s PHE 45 N -0.44 3.24 -0.11 5.30 5.36 -0.51 -1.41 117.98 129.42 2juf s PHE 45 Ca -0.01 0.85 -0.04 0.00 -0.96 0.00 0.00 56.93 56.77 2juf s PHE 45 Cb -0.04 -3.09 -0.05 0.00 -0.34 0.00 0.00 43.02 39.50 2juf s PHE 45 CO -0.00 -0.48 -0.13 2.89 -1.46 0.00 0.00 175.22 176.05 2juf n ARG 46 N 6.04 0.23 -3.94 10.12 0.00 -1.26 -1.11 116.66 126.75 2juf n ARG 46 Ca 0.03 0.09 -0.09 0.00 -0.00 0.00 0.00 57.85 57.88 2juf n ARG 46 Cb 0.48 -0.96 -0.08 0.00 -0.00 0.00 0.00 32.46 31.91 2juf n ARG 46 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2juf s GLN 47 N -2.20 0.91 0.27 2.89 0.00 -1.26 -4.86 119.66 115.42 2juf s GLN 47 Ca -0.15 -1.09 -0.20 0.00 -0.00 0.00 0.00 55.36 53.93 2juf s GLN 47 Cb 0.05 0.33 0.02 0.00 0.00 0.00 0.00 33.01 33.41 2juf s GLN 47 CO 0.20 -0.29 0.67 -1.54 0.00 0.00 0.00 175.29 174.33 2juf s SER 48 N -2.91 -0.25 -0.00 12.60 1.04 -1.26 -3.49 113.70 119.42 2juf s SER 48 Ca 0.10 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.92 2juf s SER 48 Cb 0.05 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.87 2juf s SER 48 CO -0.07 -1.29 -0.01 0.20 0.98 0.00 0.00 173.24 173.05 2juf s ASN 49 N -2.92 0.14 -0.12 7.02 0.01 -1.26 -5.02 114.94 112.78 2juf s ASN 49 Ca 0.12 -0.02 0.08 0.00 -0.71 0.00 0.00 52.86 52.34 2juf s ASN 49 Cb -0.05 -0.02 -0.24 0.00 0.41 0.00 0.00 41.25 41.36 2juf s ASN 49 CO 0.06 0.01 0.36 0.59 -1.51 0.00 0.00 177.10 176.61 2juf n ASN 50 N 3.09 1.07 0.07 -1.22 5.03 -1.26 -4.19 115.26 117.85 2juf n ASN 50 Ca -0.13 0.21 -0.09 0.00 0.87 0.00 0.00 54.58 55.45 2juf n ASN 50 Cb 0.59 -0.03 -0.12 0.00 -1.02 0.00 0.00 39.78 39.20 2juf n ASN 50 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 2juf h GLY 51 N 2.93 0.06 -7.23 7.41 0.00 -2.02 -3.41 103.07 100.82 2juf h GLY 51 Ca -0.41 -0.16 -0.74 0.00 0.00 0.00 0.00 47.33 46.02 2juf h GLY 51 CO 0.05 0.14 -0.32 -0.42 0.00 0.00 0.00 176.54 175.99 2juf s ILE 52 N -2.70 4.58 0.47 2.60 1.09 -1.26 -5.02 121.20 120.97 2juf s ILE 52 Ca -0.00 -1.70 0.29 0.00 -1.10 0.00 0.00 60.65 58.13 2juf s ILE 52 Cb 0.09 -3.99 0.32 0.00 -1.06 0.00 0.00 42.46 37.83 2juf s ILE 52 CO 0.83 -0.81 2.14 1.55 -0.10 0.00 0.00 174.94 178.55 2juf h PRO 53 N 8.59 0.00 -6.28 2.79 0.13 -1.80 -3.38 132.00 132.05 2juf h PRO 53 Ca -0.24 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.33 2juf h PRO 53 Cb 1.08 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 2juf h PRO 53 CO 0.92 0.08 1.23 -1.25 -0.23 0.00 0.00 178.00 178.75 2juf s PRO 54 N -4.32 3.26 0.16 1.56 0.04 -1.26 -3.65 135.00 130.79 2juf s PRO 54 Ca -0.03 1.11 -0.22 0.00 0.04 0.00 0.00 61.00 61.90 2juf s PRO 54 Cb 0.14 -4.19 -0.08 0.00 0.04 0.00 0.00 34.50 30.41 2juf s PRO 54 CO 0.57 -1.96 0.72 0.54 0.04 0.00 0.00 177.00 176.91 2juf s VAL 55 N 6.91 4.51 -0.20 -0.36 0.11 0.30 -4.67 120.40 127.00 2juf s VAL 55 Ca 0.72 1.47 -0.22 0.00 -2.93 0.00 0.00 61.98 61.02 2juf s VAL 55 Cb -0.18 -4.00 -0.02 0.00 -1.53 0.00 0.00 36.38 30.65 2juf s VAL 55 CO 0.31 0.43 0.68 -1.10 -3.33 0.00 0.00 175.10 172.09 2juf s GLN 56 N -1.40 4.21 -0.02 1.54 1.11 -1.23 -1.27 119.66 122.60 2juf s GLN 56 Ca 0.37 0.71 0.02 0.00 0.01 0.00 0.00 55.36 56.47 2juf s GLN 56 Cb -0.20 -3.59 0.00 0.00 -1.01 0.00 0.00 33.01 28.21 2juf s GLN 56 CO 0.23 -0.31 -0.08 0.14 0.01 0.00 0.00 175.29 175.29 2juf s VAL 57 N 2.12 0.66 -0.52 1.09 -7.23 -0.91 -4.04 120.40 111.57 2juf s VAL 57 Ca 0.31 -0.30 -0.28 0.00 -1.81 0.00 0.00 61.98 59.90 2juf s VAL 57 Cb -0.16 -0.60 0.03 0.00 0.56 0.00 0.00 36.38 36.22 2juf s VAL 57 CO 0.10 0.21 1.10 0.12 -0.31 0.00 0.00 175.10 176.33 2juf s PHE 58 N 0.20 2.75 -0.11 2.82 5.36 -0.50 -1.50 117.98 126.99 2juf s PHE 58 Ca -0.03 0.46 -0.17 0.00 -0.96 0.00 0.00 56.93 56.24 2juf s PHE 58 Cb -0.08 -4.36 -0.04 0.00 -0.34 0.00 0.00 43.02 38.20 2juf s PHE 58 CO 0.00 -1.38 0.43 -1.58 -1.46 0.00 0.00 175.22 171.23 2juf s TRP 59 N 4.49 3.52 0.43 10.12 0.52 -0.38 -1.96 118.94 135.68 2juf s TRP 59 Ca 0.42 0.84 0.12 0.00 0.02 0.00 0.00 56.10 57.50 2juf s TRP 59 Cb -0.08 -2.48 0.95 0.00 -1.15 0.00 0.00 33.47 30.71 2juf s TRP 59 CO 0.27 0.23 2.00 -0.56 0.02 0.00 0.00 176.95 178.92 2juf h GLN 60 N 6.50 0.16 -0.63 4.98 3.07 -1.82 -0.82 115.11 126.56 2juf h GLN 60 Ca -0.42 -0.03 0.01 0.00 0.09 0.00 0.00 58.65 58.30 2juf h GLN 60 Cb 1.18 -0.03 -0.03 0.00 0.08 0.00 0.00 27.48 28.68 2juf h GLN 60 CO 0.74 0.24 0.41 1.03 0.09 0.00 0.00 178.83 181.35 2juf h SER 61 N 0.16 0.73 -0.00 0.06 0.87 -1.91 -3.15 113.55 110.30 2juf h SER 61 Ca 0.04 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2juf h SER 61 Cb 0.23 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 2juf h SER 61 CO 0.01 0.53 -0.31 1.07 -0.53 0.00 0.00 176.83 177.60 2juf n THR 62 N -4.64 0.00 -1.03 2.23 5.66 -1.23 -5.01 114.28 110.25 2juf n THR 62 Ca 0.05 -0.35 -0.01 0.00 -3.05 0.00 0.00 64.05 60.69 2juf n THR 62 Cb 0.02 1.02 -0.00 0.00 -1.55 0.00 0.00 70.33 69.81 2juf n THR 62 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2juf n GLY 63 N 1.10 0.50 3.57 1.09 0.00 -0.34 -5.00 105.19 106.11 2juf n GLY 63 Ca 0.02 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.26 1.52 -0.19 1.61 1.70 -1.04 -4.94 118.95 116.35 2juf s ARG 64 Ca 0.00 -1.24 -0.23 0.00 -0.47 0.00 0.00 55.73 53.80 2juf s ARG 64 Cb 0.00 0.47 -0.02 0.00 -0.57 0.00 0.00 34.95 34.83 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 -4.01 4.96 0.16 4.99 2.01 -1.26 -1.25 115.64 121.23 2juf s THR 65 Ca 0.22 1.37 0.07 0.00 0.31 0.00 0.00 61.69 63.66 2juf s THR 65 Cb -0.00 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 2juf s THR 65 CO 0.08 0.07 -0.16 -0.47 -0.69 0.00 0.00 174.62 173.45 2juf s TYR 66 N 2.03 1.66 -0.41 4.92 5.04 -0.56 -4.84 117.35 125.19 2juf s TYR 66 Ca 0.33 -0.51 -0.22 0.00 -2.44 0.00 0.00 57.07 54.22 2juf s TYR 66 Cb -0.16 -0.83 0.02 0.00 0.35 0.00 0.00 41.96 41.33 2juf s TYR 66 CO 0.11 0.27 0.73 -1.58 -1.34 0.00 0.00 175.55 173.73 2juf s TRP 67 N -2.21 3.07 0.11 4.97 0.51 -1.26 -2.15 118.94 121.97 2juf s TRP 67 Ca 0.14 0.25 0.06 0.00 -2.12 0.00 0.00 56.10 54.43 2juf s TRP 67 Cb -0.05 -3.44 -0.04 0.00 -0.81 0.00 0.00 33.47 29.14 2juf s TRP 67 CO 0.05 -0.83 -0.14 0.14 -0.51 0.00 0.00 176.95 175.66 2juf s VAL 68 N 3.04 1.29 0.36 4.03 -7.23 -0.39 -4.87 120.40 116.62 2juf s VAL 68 Ca 0.28 -1.60 -0.23 0.00 -1.81 0.00 0.00 61.98 58.62 2juf s VAL 68 Cb -0.13 -1.41 -0.10 0.00 0.56 0.00 0.00 36.38 35.29 2juf s VAL 68 CO 0.19 -0.35 0.93 -2.28 -0.31 0.00 0.00 175.10 173.28 2juf s HIS 69 N -1.86 3.51 0.11 2.82 2.46 -1.26 -0.54 115.29 120.53 2juf s HIS 69 Ca 0.06 1.66 -0.21 0.00 0.47 0.00 0.00 55.06 57.04 2juf s HIS 69 Cb -0.06 -2.86 -0.10 0.00 -0.13 0.00 0.00 32.58 29.42 2juf s HIS 69 CO 0.03 0.07 1.75 -1.49 -2.47 0.00 0.00 174.74 172.63 2juf h TRP 70 N 2.59 0.07 0.00 3.88 4.06 -1.88 -0.51 115.95 124.16 2juf h TRP 70 Ca -0.48 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.45 2juf h TRP 70 Cb 1.19 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 29.33 2juf h TRP 70 CO 0.62 0.04 -0.12 1.25 -3.56 0.00 0.00 178.44 176.66 2juf h HIS 71 N 0.09 0.00 -0.01 0.49 2.76 -1.88 -2.02 115.15 114.57 2juf h HIS 71 Ca 0.04 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2juf h HIS 71 Cb 0.01 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.97 2juf h HIS 71 CO -0.09 0.12 -0.33 -1.33 -1.30 0.00 0.00 177.93 175.00 2juf n MET 72 N -3.40 1.20 -3.54 5.26 2.81 -1.00 -4.82 117.12 113.63 2juf n MET 72 Ca -0.01 -0.90 -0.37 0.00 -1.81 0.00 0.00 57.70 54.61 2juf n MET 72 Cb 0.30 -1.48 -0.06 0.00 -0.71 0.00 0.00 33.22 31.27 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 -2.41 4.44 -0.04 4.03 0.20 -0.23 -3.59 118.68 121.07 2juf s LEU 73 Ca 0.23 0.89 0.04 0.00 0.69 0.00 0.00 54.13 55.99 2juf s LEU 73 Cb 0.19 -2.63 -0.00 0.00 -0.43 0.00 0.00 46.19 43.31 2juf s LEU 73 CO 0.51 0.30 -0.17 -0.70 -0.29 0.00 0.00 176.35 176.00 2juf s GLU 74 N -1.25 1.80 -0.26 1.98 2.12 -0.82 -4.94 118.70 117.33 2juf s GLU 74 Ca 0.25 -0.62 -0.05 0.00 0.36 0.00 0.00 54.97 54.92 2juf s GLU 74 Cb -0.16 -1.57 0.00 0.00 0.26 0.00 0.00 34.13 32.67 2juf s GLU 74 CO 0.14 0.25 0.01 0.96 -0.54 0.00 0.00 175.26 176.07 2juf s ILE 75 N 0.03 3.58 -1.54 -3.70 -4.36 -1.26 -0.56 121.20 113.39 2juf s ILE 75 Ca -0.04 -0.64 0.25 0.00 -0.26 0.00 0.00 60.65 59.97 2juf s ILE 75 Cb -0.11 -2.75 0.13 0.00 1.25 0.00 0.00 42.46 40.97 2juf s ILE 75 CO 0.02 0.25 1.42 0.18 0.24 0.00 0.00 174.94 177.04 2juf n LEU 76 N 4.81 1.01 0.00 0.37 4.32 -1.25 -5.01 117.00 121.25 2juf n LEU 76 Ca -0.16 -0.27 0.10 0.00 -0.02 0.00 0.00 56.01 55.65 2juf n LEU 76 Cb 0.49 -0.13 0.59 0.00 -1.62 0.00 0.00 43.42 42.75 2juf n LEU 76 CO 0.30 0.20 0.78 0.61 -1.22 0.00 0.00 177.39 178.06