#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 0.83 1.62 2.98 0.00 -1.86 -0.72 103.07 105.92 2juf h GLY 15 Ca 0.00 -0.83 -0.12 0.00 0.00 0.00 0.00 47.33 46.38 2juf h GLY 15 CO 0.00 0.75 -0.41 0.83 0.00 0.00 0.00 176.54 177.71 2juf h GLU 16 N 0.53 0.42 -0.02 4.80 3.07 -2.00 -2.95 114.58 118.43 2juf h GLU 16 Ca 0.06 -0.21 -0.00 0.00 -0.50 0.00 0.00 59.36 58.71 2juf h GLU 16 Cb 0.85 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.76 2juf h GLU 16 CO 0.07 0.76 0.00 -0.92 -1.40 0.00 0.00 179.01 177.53 2juf h TYR 17 N 0.35 0.03 -0.90 4.33 3.20 -1.93 -3.13 116.97 118.92 2juf h TYR 17 Ca 0.03 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.91 2juf h TYR 17 Cb 0.87 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 39.09 2juf h TYR 17 CO 0.03 0.28 0.59 -0.39 -1.64 0.00 0.00 178.16 177.03 2juf h VAL 18 N -0.23 1.21 -0.79 1.81 -1.51 -1.14 -1.75 116.25 113.84 2juf h VAL 18 Ca 0.01 -0.41 0.13 0.00 -1.23 0.00 0.00 66.70 65.20 2juf h VAL 18 Cb 0.27 -0.09 -0.06 0.00 -2.13 0.00 0.00 31.29 29.28 2juf h VAL 18 CO 0.00 0.22 0.52 -0.61 -1.23 0.00 0.00 177.57 176.47 2juf h GLN 19 N 1.19 0.54 0.14 5.19 4.15 -1.46 0.24 115.11 125.10 2juf h GLN 19 Ca 0.34 -0.03 -0.30 0.00 0.77 0.00 0.00 58.65 59.42 2juf h GLN 19 Cb -0.09 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.48 2juf h GLN 19 CO -0.08 0.35 -1.44 1.96 -1.93 0.00 0.00 178.83 177.69 2juf h GLN 20 N 0.55 0.30 -0.18 1.69 1.08 -1.29 -3.36 115.11 113.91 2juf h GLN 20 Ca 0.39 -0.52 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 2juf h GLN 20 Cb 0.72 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 2juf h GLN 20 CO -0.14 1.20 0.00 -2.37 -0.95 0.00 0.00 178.83 176.57 2juf n THR 21 N -3.52 0.42 -2.92 -0.54 5.66 -1.02 -4.95 114.28 107.41 2juf n THR 21 Ca -0.14 -0.71 -0.42 0.00 -3.05 0.00 0.00 64.05 59.73 2juf n THR 21 Cb 1.05 0.94 -0.05 0.00 -1.55 0.00 0.00 70.33 70.72 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 4.08 -0.01 1.09 2.96 0.04 -5.05 118.68 120.75 2juf s LEU 22 Ca 0.20 0.66 -0.17 0.00 -0.22 0.00 0.00 54.13 54.60 2juf s LEU 22 Cb 0.12 -3.11 -0.06 0.00 0.50 0.00 0.00 46.19 43.64 2juf s LEU 22 CO 0.17 -0.66 0.46 -1.10 -1.32 0.00 0.00 176.35 173.91 2juf s GLN 23 N 3.04 4.09 -0.81 1.98 -1.52 -1.26 -4.99 119.66 120.19 2juf s GLN 23 Ca 0.33 0.50 -0.25 0.00 -1.95 0.00 0.00 55.36 53.99 2juf s GLN 23 Cb -0.14 -3.28 -0.05 0.00 -0.22 0.00 0.00 33.01 29.32 2juf s GLN 23 CO 0.13 0.55 2.01 -2.14 -0.25 0.00 0.00 175.29 175.58 2juf s PRO 24 N -0.66 2.43 0.00 2.91 0.02 -1.26 -2.24 135.00 136.20 2juf s PRO 24 Ca 0.25 0.05 0.00 0.00 0.02 0.00 0.00 61.00 61.33 2juf s PRO 24 Cb -0.17 -4.87 0.00 0.00 0.02 0.00 0.00 34.50 29.48 2juf s PRO 24 CO 0.14 -3.38 0.00 0.41 -0.33 0.00 0.00 177.00 173.84 2juf n GLY 25 N 6.58 0.47 3.96 0.52 0.00 -0.43 -4.98 105.19 111.31 2juf n GLY 25 Ca 0.37 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.16 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 2.85 0.52 1.61 0.23 -0.95 -4.89 119.30 118.67 2juf s MET 26 Ca 0.00 -0.54 -0.04 0.00 -1.03 0.00 0.00 55.69 54.08 2juf s MET 26 Cb 0.00 -2.50 -0.01 0.00 -1.53 0.00 0.00 34.83 30.79 2juf s MET 26 CO 0.00 -0.48 0.80 -0.98 -2.03 0.00 0.00 175.02 172.33 2juf s ARG 27 N -4.68 3.21 0.36 3.16 1.70 -1.26 -1.72 118.95 119.72 2juf s ARG 27 Ca 0.52 -0.02 0.04 0.00 -0.47 0.00 0.00 55.73 55.80 2juf s ARG 27 Cb -0.10 -2.38 -0.03 0.00 -0.57 0.00 0.00 34.95 31.87 2juf s ARG 27 CO 0.39 -0.40 0.13 0.14 -1.08 0.00 0.00 175.30 174.47 2juf s VAL 28 N -2.79 0.60 -0.02 4.99 -7.23 -0.51 -3.12 120.40 112.32 2juf s VAL 28 Ca 0.50 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.61 2juf s VAL 28 Cb -0.10 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.37 2juf s VAL 28 CO 0.43 0.00 0.12 -0.60 -0.31 0.00 0.00 175.10 174.74 2juf s ARG 29 N -3.77 0.34 -0.30 4.82 3.00 0.11 -1.50 118.95 121.65 2juf s ARG 29 Ca 0.30 -0.19 -0.13 0.00 -1.00 0.00 0.00 55.73 54.70 2juf s ARG 29 Cb 0.04 0.14 -0.03 0.00 0.00 0.00 0.00 34.95 35.10 2juf s ARG 29 CO 0.16 -0.07 0.29 1.41 0.00 0.00 0.00 175.30 177.09 2juf s MET 30 N -0.83 3.81 0.03 5.12 -2.45 -0.01 -1.10 119.30 123.87 2juf s MET 30 Ca -0.09 -0.29 -0.18 0.00 -1.25 0.00 0.00 55.69 53.88 2juf s MET 30 Cb -0.05 -3.72 -0.21 0.00 1.25 0.00 0.00 34.83 32.10 2juf s MET 30 CO 0.01 -0.33 1.16 -0.07 1.05 0.00 0.00 175.02 176.84 2juf h LEU 31 N 8.55 0.62 -8.91 4.11 3.38 -1.76 -1.58 115.31 119.71 2juf h LEU 31 Ca -0.32 -0.71 -0.40 0.00 0.09 0.00 0.00 57.88 56.53 2juf h LEU 31 Cb 1.17 -0.19 -0.14 0.00 0.09 0.00 0.00 40.66 41.59 2juf h LEU 31 CO 0.62 1.24 -0.68 -0.62 0.09 0.00 0.00 178.44 179.10 2juf s ASP 32 N -6.80 2.11 -0.05 -0.43 2.15 -1.26 -4.68 116.67 107.72 2juf s ASP 32 Ca -0.13 -1.16 -0.30 0.00 0.43 0.00 0.00 52.55 51.40 2juf s ASP 32 Cb 0.05 -0.05 -0.06 0.00 -0.30 0.00 0.00 42.92 42.56 2juf s ASP 32 CO 0.84 -0.41 1.64 1.51 -0.17 0.00 0.00 175.17 178.57 2juf s ASP 33 N -3.32 6.68 0.50 -0.34 -4.77 -1.26 -4.01 116.67 110.14 2juf s ASP 33 Ca 0.26 2.24 0.08 0.00 -3.30 0.00 0.00 52.55 51.82 2juf s ASP 33 Cb 0.04 -2.54 0.04 0.00 -1.09 0.00 0.00 42.92 39.38 2juf s ASP 33 CO 0.08 -0.91 0.68 -0.47 0.70 0.00 0.00 175.17 175.25 2juf s TYR 34 N 3.87 2.30 0.23 2.11 6.14 0.65 -4.90 117.35 127.75 2juf s TYR 34 Ca 0.73 -0.47 -0.09 0.00 0.64 0.00 0.00 57.07 57.88 2juf s TYR 34 Cb -0.33 -2.39 0.36 0.00 0.42 0.00 0.00 41.96 40.02 2juf s TYR 34 CO 0.29 -0.76 1.65 0.93 0.64 0.00 0.00 175.55 178.30 2juf h GLU 35 N 0.39 0.10 0.00 4.97 4.39 -1.96 -3.13 114.58 119.33 2juf h GLU 35 Ca -0.37 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.33 2juf h GLU 35 Cb 1.28 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2juf h GLU 35 CO 0.44 0.07 0.00 -0.85 -1.16 0.00 0.00 179.01 177.51 2juf n GLU 36 N -5.32 1.40 -4.98 2.33 0.28 -1.26 -5.04 120.64 108.05 2juf n GLU 36 Ca 0.11 -0.97 -0.30 0.00 -0.16 0.00 0.00 57.16 55.84 2juf n GLU 36 Cb 0.41 -0.79 -0.15 0.00 1.43 0.00 0.00 31.44 32.34 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 -0.50 2.12 0.14 3.84 1.09 -1.18 -4.25 121.20 122.46 2juf s ILE 37 Ca 0.00 -1.34 0.01 0.00 -1.10 0.00 0.00 60.65 58.23 2juf s ILE 37 Cb 0.00 -1.80 -0.04 0.00 -1.06 0.00 0.00 42.46 39.56 2juf s ILE 37 CO 0.00 0.40 0.29 -0.44 -0.10 0.00 0.00 174.94 175.09 2juf s SER 38 N -1.12 6.35 -0.03 3.58 0.01 -1.26 -0.25 113.70 120.98 2juf s SER 38 Ca 0.11 0.23 -0.30 0.00 1.31 0.00 0.00 55.95 57.30 2juf s SER 38 Cb -0.10 -1.94 -0.08 0.00 0.21 0.00 0.00 66.02 64.12 2juf s SER 38 CO 0.01 0.06 1.95 0.00 0.41 0.00 0.00 173.24 175.67 2juf s ALA 39 N -1.72 3.45 0.00 1.44 0.00 -1.26 -2.25 121.76 121.42 2juf s ALA 39 Ca 0.35 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.46 2juf s ALA 39 Cb -0.11 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.14 2juf s ALA 39 CO 0.28 -1.75 0.00 0.41 0.00 0.00 0.00 175.76 174.71 2juf n GLY 40 N 4.67 1.08 3.86 0.00 0.00 -0.60 -4.94 105.19 109.26 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 -1.99 6.42 0.27 1.61 1.01 -0.95 -4.83 116.67 118.21 2juf s ASP 41 Ca 0.00 1.50 0.12 0.00 0.71 0.00 0.00 52.55 54.87 2juf s ASP 41 Cb 0.00 -2.49 -0.05 0.00 1.01 0.00 0.00 42.92 41.39 2juf s ASP 41 CO 0.00 -0.74 -0.20 -1.61 0.21 0.00 0.00 175.17 172.84 2juf s GLU 42 N -4.63 1.65 0.00 8.23 2.02 -1.26 -0.83 118.70 123.87 2juf s GLU 42 Ca 0.57 -1.75 0.00 0.00 0.02 0.00 0.00 54.97 53.81 2juf s GLU 42 Cb -0.10 -1.72 0.00 0.00 0.10 0.00 0.00 34.13 32.41 2juf s GLU 42 CO 0.43 0.32 0.00 0.41 0.02 0.00 0.00 175.26 176.44 2juf n GLY 43 N -0.59 4.11 2.90 -1.39 0.00 -0.56 -2.61 105.19 107.05 2juf n GLY 43 Ca -0.05 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.33 0.16 -0.20 1.61 2.12 -0.53 -1.43 118.70 119.11 2juf s GLU 44 Ca 0.00 -0.08 -0.29 0.00 0.36 0.00 0.00 54.97 54.96 2juf s GLU 44 Cb 0.00 -0.15 0.00 0.00 0.26 0.00 0.00 34.13 34.24 2juf s GLU 44 CO 0.00 0.04 1.05 0.12 -0.54 0.00 0.00 175.26 175.93 2juf s PHE 45 N -0.06 3.35 -0.16 5.30 5.36 -0.70 -1.51 117.98 129.56 2juf s PHE 45 Ca 0.01 1.47 -0.06 0.00 -0.96 0.00 0.00 56.93 57.38 2juf s PHE 45 Cb -0.01 -3.27 -0.08 0.00 -0.34 0.00 0.00 43.02 39.33 2juf s PHE 45 CO -0.00 -0.49 -0.20 0.54 -1.46 0.00 0.00 175.22 173.61 2juf n ARG 46 N 6.02 0.35 -3.62 10.12 5.12 -1.25 -1.32 116.66 132.09 2juf n ARG 46 Ca 0.11 0.14 -0.15 0.00 -1.93 0.00 0.00 57.85 56.02 2juf n ARG 46 Cb 0.47 -1.13 -0.07 0.00 -1.16 0.00 0.00 32.46 30.57 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 -2.30 0.92 0.31 5.56 0.00 -1.25 -4.87 119.66 118.02 2juf s GLN 47 Ca -0.22 -0.01 0.10 0.00 -0.00 0.00 0.00 55.36 55.22 2juf s GLN 47 Cb 0.08 0.42 -0.05 0.00 0.00 0.00 0.00 33.01 33.46 2juf s GLN 47 CO 0.30 -0.29 -0.07 -1.54 0.00 0.00 0.00 175.29 173.69 2juf s SER 48 N -1.42 3.98 -0.14 12.60 1.04 -1.26 -3.54 113.70 124.95 2juf s SER 48 Ca -0.11 -0.99 0.01 0.00 0.48 0.00 0.00 55.95 55.35 2juf s SER 48 Cb -0.02 -0.48 0.02 0.00 0.10 0.00 0.00 66.02 65.64 2juf s SER 48 CO 0.05 -0.11 -0.15 0.20 0.98 0.00 0.00 173.24 174.22 2juf s ASN 49 N -3.63 2.65 0.03 7.02 0.01 -1.26 -4.99 114.94 114.77 2juf s ASN 49 Ca 0.32 -0.48 0.15 0.00 -0.71 0.00 0.00 52.86 52.15 2juf s ASN 49 Cb -0.02 -1.17 -0.16 0.00 0.41 0.00 0.00 41.25 40.31 2juf s ASN 49 CO 0.18 -0.03 0.79 0.78 -1.51 0.00 0.00 177.10 177.30 2juf h ASN 50 N 7.87 0.00 0.93 -1.22 2.35 -1.97 -3.31 115.58 120.24 2juf h ASN 50 Ca -0.36 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.19 2juf h ASN 50 Cb 1.15 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.49 2juf h ASN 50 CO 0.52 0.71 -1.13 1.23 -1.65 0.00 0.00 177.43 177.11 2juf h GLY 51 N 3.64 0.00 -7.58 2.83 0.00 -2.02 -3.43 103.07 96.51 2juf h GLY 51 Ca -0.20 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.45 2juf h GLY 51 CO 0.06 0.00 -0.61 -0.42 0.00 0.00 0.00 176.54 175.57 2juf s ILE 52 N -2.78 3.10 0.56 2.60 1.09 -1.24 -5.05 121.20 119.48 2juf s ILE 52 Ca -0.00 -1.93 0.27 0.00 -1.10 0.00 0.00 60.65 57.89 2juf s ILE 52 Cb 0.09 -3.06 0.33 0.00 -1.06 0.00 0.00 42.46 38.76 2juf s ILE 52 CO 0.80 -0.54 2.22 1.55 -0.10 0.00 0.00 174.94 178.88 2juf h PRO 53 N 7.98 0.00 -6.11 2.79 0.13 -1.85 -3.39 132.00 131.56 2juf h PRO 53 Ca -0.14 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.45 2juf h PRO 53 Cb 1.05 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 2juf h PRO 53 CO 0.64 0.01 1.34 -1.25 -0.23 0.00 0.00 178.00 178.51 2juf s PRO 54 N -4.68 2.99 0.23 1.56 0.04 -1.26 -3.82 135.00 130.07 2juf s PRO 54 Ca -0.05 1.19 -0.18 0.00 0.04 0.00 0.00 61.00 62.01 2juf s PRO 54 Cb 0.15 -4.30 -0.08 0.00 0.04 0.00 0.00 34.50 30.31 2juf s PRO 54 CO 0.57 -2.27 0.69 0.54 0.04 0.00 0.00 177.00 176.58 2juf s VAL 55 N 8.11 4.65 -0.23 -0.36 0.11 0.08 -4.68 120.40 128.08 2juf s VAL 55 Ca 0.78 1.12 -0.18 0.00 -2.93 0.00 0.00 61.98 60.77 2juf s VAL 55 Cb -0.19 -3.78 -0.03 0.00 -1.53 0.00 0.00 36.38 30.85 2juf s VAL 55 CO 0.29 0.13 0.51 -1.10 -3.33 0.00 0.00 175.10 171.59 2juf s GLN 56 N -2.20 4.13 -0.02 1.54 1.11 -1.23 -1.49 119.66 121.50 2juf s GLN 56 Ca 0.44 0.35 0.02 0.00 0.01 0.00 0.00 55.36 56.19 2juf s GLN 56 Cb -0.15 -3.61 0.00 0.00 -1.01 0.00 0.00 33.01 28.25 2juf s GLN 56 CO 0.20 -0.25 -0.07 0.14 0.01 0.00 0.00 175.29 175.32 2juf s VAL 57 N 1.96 0.61 -0.51 1.09 -7.23 -1.07 -3.90 120.40 111.35 2juf s VAL 57 Ca 0.22 -0.28 -0.28 0.00 -1.81 0.00 0.00 61.98 59.83 2juf s VAL 57 Cb -0.15 -0.55 0.03 0.00 0.56 0.00 0.00 36.38 36.27 2juf s VAL 57 CO 0.09 0.20 1.11 0.12 -0.31 0.00 0.00 175.10 176.31 2juf s PHE 58 N 0.16 2.77 -0.12 2.82 5.36 -0.57 -1.80 117.98 126.59 2juf s PHE 58 Ca -0.02 0.54 -0.16 0.00 -0.96 0.00 0.00 56.93 56.32 2juf s PHE 58 Cb -0.07 -4.38 -0.04 0.00 -0.34 0.00 0.00 43.02 38.19 2juf s PHE 58 CO 0.00 -1.35 0.40 -1.58 -1.46 0.00 0.00 175.22 171.24 2juf s TRP 59 N 4.48 3.52 0.51 10.12 0.52 -0.35 -1.45 118.94 136.29 2juf s TRP 59 Ca 0.44 0.80 0.23 0.00 0.02 0.00 0.00 56.10 57.59 2juf s TRP 59 Cb -0.08 -2.45 1.46 0.00 -1.15 0.00 0.00 33.47 31.25 2juf s TRP 59 CO 0.29 0.24 2.14 -0.56 0.02 0.00 0.00 176.95 179.08 2juf h GLN 60 N 6.48 0.00 -0.47 4.98 3.07 -1.81 0.15 115.11 127.50 2juf h GLN 60 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.32 2juf h GLN 60 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.71 2juf h GLN 60 CO 0.74 0.06 0.30 1.03 0.09 0.00 0.00 178.83 181.05 2juf h SER 61 N 0.00 0.56 0.00 0.06 0.87 -1.91 -3.28 113.55 109.85 2juf h SER 61 Ca -0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2juf h SER 61 Cb 0.13 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2juf h SER 61 CO 0.01 0.43 -0.42 1.07 -0.53 0.00 0.00 176.83 177.39 2juf n THR 62 N -4.73 0.00 -1.02 2.23 5.66 -1.21 -4.98 114.28 110.23 2juf n THR 62 Ca 0.02 -0.32 -0.01 0.00 -3.05 0.00 0.00 64.05 60.70 2juf n THR 62 Cb 0.04 0.95 -0.00 0.00 -1.55 0.00 0.00 70.33 69.77 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 1.24 0.48 3.61 1.09 0.00 0.02 -5.00 105.19 106.63 2juf n GLY 63 Ca 0.01 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.93 1.77 -0.13 1.61 1.70 -1.12 -4.93 118.95 116.92 2juf s ARG 64 Ca 0.00 -1.40 -0.23 0.00 -0.47 0.00 0.00 55.73 53.63 2juf s ARG 64 Cb 0.00 0.49 -0.03 0.00 -0.57 0.00 0.00 34.95 34.85 2juf s ARG 64 CO 0.00 -0.76 0.70 0.99 -1.08 0.00 0.00 175.30 175.15 2juf s THR 65 N -3.49 5.01 0.13 4.99 2.01 -1.26 -1.21 115.64 121.83 2juf s THR 65 Ca 0.23 1.39 0.06 0.00 0.31 0.00 0.00 61.69 63.68 2juf s THR 65 Cb -0.02 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2juf s THR 65 CO 0.12 0.17 -0.14 -0.47 -0.69 0.00 0.00 174.62 173.61 2juf s TYR 66 N 1.40 1.48 -0.51 4.92 5.04 -0.75 -4.86 117.35 124.06 2juf s TYR 66 Ca 0.35 -0.56 -0.27 0.00 -2.44 0.00 0.00 57.07 54.15 2juf s TYR 66 Cb -0.17 -0.76 0.03 0.00 0.35 0.00 0.00 41.96 41.41 2juf s TYR 66 CO 0.14 0.18 1.07 -1.58 -1.34 0.00 0.00 175.55 174.03 2juf s TRP 67 N -2.24 2.79 0.11 4.97 0.51 -1.26 -2.60 118.94 121.22 2juf s TRP 67 Ca 0.11 0.47 0.08 0.00 -2.12 0.00 0.00 56.10 54.64 2juf s TRP 67 Cb -0.04 -4.29 -0.04 0.00 -0.81 0.00 0.00 33.47 28.29 2juf s TRP 67 CO 0.04 -1.31 -0.19 0.14 -0.51 0.00 0.00 176.95 175.12 2juf s VAL 68 N 4.33 1.65 0.36 4.03 -7.23 -0.55 -4.89 120.40 118.09 2juf s VAL 68 Ca 0.42 -1.62 -0.24 0.00 -1.81 0.00 0.00 61.98 58.73 2juf s VAL 68 Cb -0.09 -1.57 -0.10 0.00 0.56 0.00 0.00 36.38 35.18 2juf s VAL 68 CO 0.28 -0.16 0.93 -2.28 -0.31 0.00 0.00 175.10 173.56 2juf s HIS 69 N -1.45 3.55 0.20 2.82 2.46 -1.26 -0.74 115.29 120.88 2juf s HIS 69 Ca 0.08 1.70 -0.10 0.00 0.47 0.00 0.00 55.06 57.21 2juf s HIS 69 Cb -0.09 -2.88 0.25 0.00 -0.13 0.00 0.00 32.58 29.74 2juf s HIS 69 CO 0.04 0.10 1.76 -1.49 -2.47 0.00 0.00 174.74 172.69 2juf h TRP 70 N 2.73 0.46 0.00 3.88 4.06 -1.87 -2.01 115.95 123.20 2juf h TRP 70 Ca -0.48 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.47 2juf h TRP 70 Cb 1.19 -0.12 -0.00 0.00 -1.00 0.00 0.00 29.16 29.23 2juf h TRP 70 CO 0.62 0.16 -0.15 1.25 -3.56 0.00 0.00 178.44 176.76 2juf h HIS 71 N 0.47 0.00 -0.01 0.49 2.76 -1.87 -1.92 115.15 115.07 2juf h HIS 71 Ca 0.29 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 2juf h HIS 71 Cb 0.31 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.27 2juf h HIS 71 CO -0.14 0.15 -0.42 -1.33 -1.30 0.00 0.00 177.93 174.89 2juf n MET 72 N -3.26 0.70 -3.20 5.26 2.81 -1.04 -4.75 117.12 113.64 2juf n MET 72 Ca 0.01 -0.48 -0.40 0.00 -1.81 0.00 0.00 57.70 55.02 2juf n MET 72 Cb 0.42 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.38 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 -2.63 4.14 -0.04 4.03 0.20 -0.72 -2.11 118.68 121.55 2juf s LEU 73 Ca 0.19 0.71 -0.02 0.00 0.69 0.00 0.00 54.13 55.71 2juf s LEU 73 Cb 0.18 -2.76 -0.04 0.00 -0.43 0.00 0.00 46.19 43.14 2juf s LEU 73 CO 0.60 -0.22 0.08 -0.70 -0.29 0.00 0.00 176.35 175.81 2juf s GLU 74 N 1.79 3.12 -0.28 1.98 2.12 -0.26 -4.92 118.70 122.25 2juf s GLU 74 Ca 0.25 -0.41 -0.08 0.00 0.36 0.00 0.00 54.97 55.09 2juf s GLU 74 Cb -0.16 -2.90 -0.01 0.00 0.26 0.00 0.00 34.13 31.32 2juf s GLU 74 CO 0.10 0.68 0.10 0.96 -0.54 0.00 0.00 175.26 176.56 2juf s ILE 75 N -1.11 4.35 -0.87 -3.70 -4.36 -1.26 0.08 121.20 114.32 2juf s ILE 75 Ca 0.20 -0.38 0.08 0.00 -0.26 0.00 0.00 60.65 60.29 2juf s ILE 75 Cb -0.12 -3.15 0.15 0.00 1.25 0.00 0.00 42.46 40.59 2juf s ILE 75 CO 0.10 0.18 0.99 0.18 0.24 0.00 0.00 174.94 176.63 2juf n LEU 76 N 4.93 2.23 0.00 0.37 4.77 -1.26 -4.98 117.00 123.07 2juf n LEU 76 Ca -0.15 -1.53 0.09 0.00 -0.03 0.00 0.00 56.01 54.39 2juf n LEU 76 Cb 0.50 -0.09 0.53 0.00 -2.33 0.00 0.00 43.42 42.03 2juf n LEU 76 CO 0.32 0.52 0.73 0.61 -1.33 0.00 0.00 177.39 178.24