#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jri n ARG 13 N 0.00 -5.49 -0.10 2.61 5.12 -1.26 -4.67 116.66 112.87 1jri n ARG 13 Ca 0.00 3.91 -0.06 0.00 -1.93 0.00 0.00 57.85 59.78 1jri n ARG 13 Cb 0.00 -4.38 0.01 0.00 -1.16 0.00 0.00 32.46 26.92 1jri n ARG 13 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1jri h PRO 14 N 4.30 0.00 -0.09 5.56 0.11 -2.07 -2.89 132.00 136.92 1jri h PRO 14 Ca 0.00 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1jri h PRO 14 Cb 0.00 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1jri h PRO 14 CO 0.00 0.00 -0.10 -0.07 -0.21 0.00 0.00 178.00 177.62 1jri h LEU 15 N 0.00 0.12 -2.52 2.35 3.38 -2.01 -1.64 115.31 115.00 1jri h LEU 15 Ca 0.17 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1jri h LEU 15 Cb 0.26 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1jri h LEU 15 CO -0.37 0.24 -0.02 0.44 0.09 0.00 0.00 178.44 178.82 1jri h ASP 16 N 0.12 0.00 0.61 -0.43 3.32 -1.78 0.93 116.42 119.20 1jri h ASP 16 Ca 0.03 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1jri h ASP 16 Cb 0.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1jri h ASP 16 CO 0.01 0.02 -0.33 0.00 -1.72 0.00 0.00 179.24 177.23 1jri h ALA 17 N 1.98 1.16 -0.26 3.45 0.00 -1.39 -1.25 119.26 122.95 1jri h ALA 17 Ca -0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1jri h ALA 17 Cb 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1jri h ALA 17 CO 0.00 0.41 -0.36 -0.07 0.00 0.00 0.00 179.25 179.23 1jri h LEU 18 N 0.00 0.61 -1.77 0.00 3.38 -0.91 -2.54 115.31 114.07 1jri h LEU 18 Ca -0.00 -0.26 0.14 0.00 0.09 0.00 0.00 57.88 57.85 1jri h LEU 18 Cb 0.72 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1jri h LEU 18 CO 0.04 0.92 0.43 1.23 0.09 0.00 0.00 178.44 181.16 1jri h GLY 19 N 1.03 0.37 1.17 0.83 0.00 -1.11 0.14 103.07 105.50 1jri h GLY 19 Ca 0.05 -0.10 -0.18 0.00 0.00 0.00 0.00 47.33 47.10 1jri h GLY 19 CO 0.07 0.04 -0.50 3.43 0.00 0.00 0.00 176.54 179.58 1jri h ASN 20 N 0.23 0.97 0.26 0.19 -0.26 -1.37 -3.12 115.58 112.48 1jri h ASN 20 Ca 0.30 -0.50 0.00 0.00 -0.56 0.00 0.00 56.30 55.55 1jri h ASN 20 Cb 0.87 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.86 1jri h ASN 20 CO -0.06 1.30 0.00 -1.20 -1.06 0.00 0.00 177.43 176.40 1jri n SER 21 N -4.02 0.00 -4.70 5.81 7.64 0.46 -4.86 113.62 113.95 1jri n SER 21 Ca -0.04 -0.07 -0.43 0.00 1.01 0.00 0.00 58.87 59.34 1jri n SER 21 Cb 0.60 -0.23 -0.02 0.00 -1.01 0.00 0.00 64.21 63.55 1jri n SER 21 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1jri n LEU 22 N -1.23 3.59 -3.05 -3.43 4.77 -1.01 -1.09 117.00 115.54 1jri n LEU 22 Ca 0.09 1.16 -0.23 0.00 -0.03 0.00 0.00 56.01 57.01 1jri n LEU 22 Cb 0.12 -1.49 0.03 0.00 -2.33 0.00 0.00 43.42 39.76 1jri n LEU 22 CO 0.13 -0.30 -0.00 0.59 -1.33 0.00 0.00 177.39 176.48 1jri n ASN 23 N 1.80 -6.01 -4.01 -1.43 3.02 0.52 -4.98 115.26 104.17 1jri n ASN 23 Ca 0.09 -0.30 -0.17 0.00 -0.03 0.00 0.00 54.58 54.17 1jri n ASN 23 Cb 0.34 -4.86 -0.14 0.00 -0.61 0.00 0.00 39.78 34.51 1jri n ASN 23 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1jri s SER 24 N -2.71 0.93 0.18 6.41 0.01 -0.25 -4.94 113.70 113.32 1jri s SER 24 Ca 0.31 -0.20 -0.31 0.00 1.31 0.00 0.00 55.95 57.07 1jri s SER 24 Cb -0.14 -0.09 -0.09 0.00 0.21 0.00 0.00 66.02 65.91 1jri s SER 24 CO 0.39 0.06 1.46 -2.16 0.41 0.00 0.00 173.24 173.39 1jri s PRO 25 N -0.37 4.28 0.20 12.44 0.04 -1.26 -2.36 135.00 147.96 1jri s PRO 25 Ca 0.02 2.23 0.06 0.00 0.04 0.00 0.00 61.00 63.35 1jri s PRO 25 Cb -0.04 -3.17 -0.05 0.00 0.04 0.00 0.00 34.50 31.28 1jri s PRO 25 CO -0.00 -0.47 -0.10 0.14 0.04 0.00 0.00 177.00 176.61 1jri s VAL 26 N 0.71 1.42 -0.21 -0.36 -7.23 0.16 -4.70 120.40 110.19 1jri s VAL 26 Ca 0.64 -2.12 -0.05 0.00 -1.81 0.00 0.00 61.98 58.64 1jri s VAL 26 Cb -0.40 -2.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 1jri s VAL 26 CO 0.35 -0.58 -0.00 -0.63 -0.31 0.00 0.00 175.10 173.92 1jri s ILE 27 N -3.17 3.81 -0.13 -0.62 1.01 0.47 -2.70 121.20 119.87 1jri s ILE 27 Ca 0.22 -0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.49 1jri s ILE 27 Cb 0.02 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 1jri s ILE 27 CO 0.05 0.41 -0.03 -0.63 0.00 0.00 0.00 174.94 174.74 1jri s ILE 28 N 1.24 3.96 -0.18 2.92 -1.09 0.14 0.03 121.20 128.22 1jri s ILE 28 Ca 0.03 -0.35 0.01 0.00 -2.23 0.00 0.00 60.65 58.12 1jri s ILE 28 Cb -0.15 -2.71 0.02 0.00 -1.58 0.00 0.00 42.46 38.05 1jri s ILE 28 CO 0.01 0.52 -0.20 -0.75 -1.23 0.00 0.00 174.94 173.29 1jri s LYS 29 N 0.02 3.00 0.45 2.79 2.36 0.06 -1.41 119.74 127.00 1jri s LYS 29 Ca 0.01 -0.83 0.08 0.00 -2.55 0.00 0.00 55.97 52.68 1jri s LYS 29 Cb -0.13 -2.58 0.02 0.00 -1.05 0.00 0.00 37.83 34.09 1jri s LYS 29 CO 0.03 -0.21 0.58 -0.51 1.55 0.00 0.00 175.35 176.79 1jri s LEU 30 N 1.29 3.49 0.39 5.43 1.43 -0.47 0.11 118.68 130.35 1jri s LEU 30 Ca 0.05 -0.57 -0.25 0.00 -1.03 0.00 0.00 54.13 52.33 1jri s LEU 30 Cb -0.13 -2.34 -0.09 0.00 0.03 0.00 0.00 46.19 43.67 1jri s LEU 30 CO -0.13 -0.87 1.13 -0.54 0.23 0.00 0.00 176.35 176.17 1jri s LYS 31 N -4.38 4.11 0.00 1.70 1.02 -0.36 -2.40 119.74 119.43 1jri s LYS 31 Ca 0.55 1.73 0.00 0.00 0.02 0.00 0.00 55.97 58.27 1jri s LYS 31 Cb -0.08 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.58 1jri s LYS 31 CO 0.33 -0.24 0.00 0.41 -0.92 0.00 0.00 175.35 174.93 1jri n GLY 32 N 0.58 0.79 2.70 -3.33 0.00 -1.26 -4.15 105.19 100.53 1jri n GLY 32 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 1jri n GLY 32 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jri n ASP 33 N 0.00 -4.84 -4.80 1.61 10.43 -1.01 -4.96 116.55 112.97 1jri n ASP 33 Ca 0.00 -0.05 -0.38 0.00 2.57 0.00 0.00 54.79 56.93 1jri n ASP 33 Cb 0.00 -4.02 -0.06 0.00 1.84 0.00 0.00 41.12 38.88 1jri n ASP 33 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1jri s ARG 34 N -5.34 4.31 -0.03 -1.24 0.52 -1.24 -4.90 118.95 111.04 1jri s ARG 34 Ca 0.13 0.89 0.07 0.00 -0.52 0.00 0.00 55.73 56.31 1jri s ARG 34 Cb -0.06 -3.10 -0.02 0.00 0.52 0.00 0.00 34.95 32.29 1jri s ARG 34 CO 0.16 0.52 -0.25 -2.00 0.02 0.00 0.00 175.30 173.75 1jri s GLU 35 N -1.49 2.12 -0.02 3.54 2.12 -1.23 -1.37 118.70 122.37 1jri s GLU 35 Ca 0.37 -0.90 0.04 0.00 0.36 0.00 0.00 54.97 54.84 1jri s GLU 35 Cb -0.19 -2.00 -0.01 0.00 0.26 0.00 0.00 34.13 32.19 1jri s GLU 35 CO 0.22 0.51 -0.13 -0.06 -0.54 0.00 0.00 175.26 175.26 1jri s PHE 36 N -0.52 1.22 -0.04 5.30 0.40 -0.50 0.13 117.98 123.97 1jri s PHE 36 Ca 0.07 -0.26 0.03 0.00 -0.60 0.00 0.00 56.93 56.17 1jri s PHE 36 Cb -0.10 -0.81 0.00 0.00 0.51 0.00 0.00 43.02 42.62 1jri s PHE 36 CO -0.00 -0.05 -0.13 1.03 0.70 0.00 0.00 175.22 176.76 1jri s ARG 37 N -0.17 1.50 0.01 0.44 0.52 0.04 0.27 118.95 121.56 1jri s ARG 37 Ca 0.02 -0.46 -0.24 0.00 -0.52 0.00 0.00 55.73 54.54 1jri s ARG 37 Cb -0.07 -1.30 0.08 0.00 0.52 0.00 0.00 34.95 34.18 1jri s ARG 37 CO 0.00 0.14 1.10 0.41 0.02 0.00 0.00 175.30 176.97 1jri n GLY 38 N 3.39 0.33 3.67 -3.53 0.00 -1.10 -0.39 105.19 107.57 1jri n GLY 38 Ca -0.20 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 1jri n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jri s VAL 39 N -2.05 5.04 -0.06 1.61 1.01 -0.44 -0.67 120.40 124.85 1jri s VAL 39 Ca 0.26 1.18 -0.30 0.00 0.00 0.00 0.00 61.98 63.12 1jri s VAL 39 Cb -0.01 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1jri s VAL 39 CO 0.00 0.15 1.38 -0.22 0.00 0.00 0.00 175.10 176.42 1jri s LEU 40 N 1.65 4.28 -0.05 3.92 2.96 -1.00 -0.80 118.68 129.63 1jri s LEU 40 Ca 0.29 1.99 0.07 0.00 -0.22 0.00 0.00 54.13 56.26 1jri s LEU 40 Cb -0.16 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.88 1jri s LEU 40 CO 0.11 -0.75 0.07 0.29 -1.32 0.00 0.00 176.35 174.75 1jri n LYS 41 N 5.95 2.00 -3.55 1.98 4.76 -0.13 -0.35 118.16 128.82 1jri n LYS 41 Ca 0.14 -0.02 -0.08 0.00 -2.87 0.00 0.00 58.31 55.48 1jri n LYS 41 Cb 0.44 -1.18 -0.02 0.00 -1.84 0.00 0.00 35.03 32.43 1jri n LYS 41 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1jri s SER 42 N -3.56 -0.34 0.04 4.39 0.15 -1.21 -4.88 113.70 108.29 1jri s SER 42 Ca -0.03 -0.07 -0.27 0.00 0.70 0.00 0.00 55.95 56.27 1jri s SER 42 Cb 0.03 0.41 0.09 0.00 -1.71 0.00 0.00 66.02 64.84 1jri s SER 42 CO 0.30 -0.68 0.81 0.72 1.20 0.00 0.00 173.24 175.59 1jri s PHE 43 N -3.17 -0.39 0.50 3.44 -0.71 -1.26 -1.45 117.98 114.94 1jri s PHE 43 Ca 0.06 0.24 0.01 0.00 -1.04 0.00 0.00 56.93 56.20 1jri s PHE 43 Cb -0.01 0.55 -0.01 0.00 -1.21 0.00 0.00 43.02 42.34 1jri s PHE 43 CO -0.07 -0.63 0.05 0.16 -1.34 0.00 0.00 175.22 173.39 1jri s ASP 44 N -2.56 3.78 0.63 1.98 1.47 -0.37 -4.95 116.67 116.66 1jri s ASP 44 Ca 0.04 -1.71 0.36 0.00 1.18 0.00 0.00 52.55 52.43 1jri s ASP 44 Cb -0.01 0.64 2.08 0.00 -0.34 0.00 0.00 42.92 45.29 1jri s ASP 44 CO -0.10 -0.94 2.28 -0.07 0.68 0.00 0.00 175.17 177.03 1jri h LEU 45 N 1.42 0.00 -1.63 2.11 3.38 -2.03 0.24 115.31 118.80 1jri h LEU 45 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1jri h LEU 45 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1jri h LEU 45 CO 0.67 0.00 0.00 1.41 0.09 0.00 0.00 178.44 180.61 1jri n HIS 46 N -3.46 0.53 -1.84 1.13 8.25 -1.26 -4.90 115.22 113.67 1jri n HIS 46 Ca -0.03 -0.26 -0.17 0.00 -0.26 0.00 0.00 57.72 57.00 1jri n HIS 46 Cb 0.11 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.17 1jri n HIS 46 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1jri n MET 47 N 0.80 -1.28 -2.55 -0.41 2.81 0.84 -4.11 117.12 113.22 1jri n MET 47 Ca 0.16 1.00 -0.42 0.00 -1.81 0.00 0.00 57.70 56.63 1jri n MET 47 Cb 0.40 -5.33 -0.03 0.00 -0.71 0.00 0.00 33.22 27.54 1jri n MET 47 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1jri s ASN 48 N -2.58 7.22 0.27 7.83 0.01 -1.26 -3.51 114.94 122.92 1jri s ASN 48 Ca 0.00 1.89 0.02 0.00 -0.71 0.00 0.00 52.86 54.05 1jri s ASN 48 Cb 0.00 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 1jri s ASN 48 CO 0.00 -0.35 0.13 -1.48 -1.51 0.00 0.00 177.10 173.89 1jri s LEU 49 N 0.85 1.55 -0.06 0.60 0.05 -0.70 -1.24 118.68 119.74 1jri s LEU 49 Ca 0.55 -1.46 0.03 0.00 0.05 0.00 0.00 54.13 53.30 1jri s LEU 49 Cb -0.26 0.17 0.00 0.00 -2.05 0.00 0.00 46.19 44.05 1jri s LEU 49 CO 0.29 -0.82 -0.15 -0.69 -0.55 0.00 0.00 176.35 174.44 1jri s VAL 50 N -3.77 1.30 -0.05 1.48 1.01 -0.53 -0.73 120.40 119.11 1jri s VAL 50 Ca 0.37 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.79 1jri s VAL 50 Cb 0.06 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 1jri s VAL 50 CO 0.15 0.39 -0.19 -0.76 0.00 0.00 0.00 175.10 174.69 1jri s LEU 51 N 0.35 2.45 0.21 3.92 1.43 0.45 -0.96 118.68 126.54 1jri s LEU 51 Ca -0.10 -0.33 0.05 0.00 -1.03 0.00 0.00 54.13 52.72 1jri s LEU 51 Cb -0.14 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 1jri s LEU 51 CO 0.03 0.30 0.25 0.20 0.23 0.00 0.00 176.35 177.36 1jri s ASN 52 N -0.48 5.91 -1.68 2.29 -0.87 0.02 -1.09 114.94 119.04 1jri s ASN 52 Ca 0.06 -0.05 -0.17 0.00 -1.57 0.00 0.00 52.86 51.13 1jri s ASN 52 Cb -0.12 -1.64 0.15 0.00 -0.02 0.00 0.00 41.25 39.62 1jri s ASN 52 CO 0.01 -0.01 0.76 -0.67 -2.57 0.00 0.00 177.10 174.63 1jri n ASP 53 N -0.95 -3.10 -4.83 -1.22 2.03 -1.08 -1.33 116.55 106.07 1jri n ASP 53 Ca -0.08 -1.01 -0.32 0.00 0.52 0.00 0.00 54.79 53.90 1jri n ASP 53 Cb 0.56 -2.79 0.00 0.00 -0.72 0.00 0.00 41.12 38.17 1jri n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jri s ALA 54 N -3.35 2.88 -0.15 -1.67 0.00 -0.04 -4.58 121.76 114.85 1jri s ALA 54 Ca 0.68 0.22 -0.11 0.00 0.00 0.00 0.00 51.96 52.75 1jri s ALA 54 Cb -0.37 -3.17 0.05 0.00 0.00 0.00 0.00 23.12 19.63 1jri s ALA 54 CO 0.92 -0.68 0.38 -1.83 0.00 0.00 0.00 175.76 174.55 1jri s GLU 55 N -4.36 0.40 -0.24 0.00 -1.05 0.48 -1.03 118.70 112.90 1jri s GLU 55 Ca 0.60 0.63 -0.16 0.00 -0.15 0.00 0.00 54.97 55.89 1jri s GLU 55 Cb -0.13 0.09 -0.03 0.00 -0.44 0.00 0.00 34.13 33.61 1jri s GLU 55 CO 0.40 -0.11 0.44 -2.00 0.95 0.00 0.00 175.26 174.94 1jri s GLU 56 N 0.78 4.11 0.38 -4.83 2.12 -0.46 -0.78 118.70 120.02 1jri s GLU 56 Ca -0.05 0.22 0.07 0.00 0.36 0.00 0.00 54.97 55.57 1jri s GLU 56 Cb -0.06 -3.60 -0.00 0.00 0.26 0.00 0.00 34.13 30.73 1jri s GLU 56 CO -0.06 -0.20 0.50 -0.51 -0.54 0.00 0.00 175.26 174.45 1jri s LEU 57 N 1.82 3.78 -0.33 2.70 1.02 0.34 -0.41 118.68 127.59 1jri s LEU 57 Ca 0.19 -0.34 0.06 0.00 0.02 0.00 0.00 54.13 54.06 1jri s LEU 57 Cb -0.15 -2.64 0.19 0.00 0.02 0.00 0.00 46.19 43.61 1jri s LEU 57 CO 0.09 -0.59 0.57 -0.70 0.02 0.00 0.00 176.35 175.74 1jri s GLU 58 N -4.24 0.62 -0.36 1.70 2.12 -0.06 -3.56 118.70 114.92 1jri s GLU 58 Ca 0.50 0.23 -0.01 0.00 0.36 0.00 0.00 54.97 56.04 1jri s GLU 58 Cb -0.09 0.11 -0.01 0.00 0.26 0.00 0.00 34.13 34.40 1jri s GLU 58 CO 0.32 -1.09 0.31 -0.25 -0.54 0.00 0.00 175.26 174.00 1jri n ASP 59 N 5.09 -2.60 0.00 -1.70 8.00 -1.26 -3.17 116.55 120.92 1jri n ASP 59 Ca 0.06 -0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1jri n ASP 59 Cb 0.54 -1.98 0.00 0.00 -0.02 0.00 0.00 41.12 39.66 1jri n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jri n GLY 60 N -1.19 0.36 3.40 0.44 0.00 -1.26 -4.91 105.19 102.02 1jri n GLY 60 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 1jri n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jri s GLU 61 N -0.34 3.48 0.18 1.61 0.41 -1.19 -5.07 118.70 117.77 1jri s GLU 61 Ca 0.00 -0.61 -0.33 0.00 -0.41 0.00 0.00 54.97 53.62 1jri s GLU 61 Cb 0.00 -2.83 -0.13 0.00 -1.78 0.00 0.00 34.13 29.40 1jri s GLU 61 CO 0.00 0.11 1.66 0.28 -0.49 0.00 0.00 175.26 176.82 1jri n VAL 62 N 3.87 0.02 -0.08 2.63 0.31 -1.26 -0.88 118.33 122.94 1jri n VAL 62 Ca -0.18 -0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.10 1jri n VAL 62 Cb 0.52 -1.78 -0.16 0.00 -0.91 0.00 0.00 33.84 31.51 1jri n VAL 62 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1jri n THR 63 N 3.75 1.04 -3.63 2.52 -1.04 0.45 -4.88 114.28 112.49 1jri n THR 63 Ca 0.17 -0.77 -0.07 0.00 -2.04 0.00 0.00 64.05 61.33 1jri n THR 63 Cb 0.32 -0.34 -0.06 0.00 -1.82 0.00 0.00 70.33 68.42 1jri n THR 63 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jri s ARG 64 N -2.75 0.38 -0.00 -2.82 1.70 -1.19 -5.02 118.95 109.25 1jri s ARG 64 Ca -0.09 0.31 -0.13 0.00 -0.47 0.00 0.00 55.73 55.34 1jri s ARG 64 Cb 0.08 0.18 -0.05 0.00 -0.57 0.00 0.00 34.95 34.59 1jri s ARG 64 CO 0.85 -0.08 0.38 1.03 -1.08 0.00 0.00 175.30 176.40 1jri s ARG 65 N -0.28 3.83 -0.00 3.89 0.52 -1.26 -1.35 118.95 124.30 1jri s ARG 65 Ca 0.03 0.31 0.02 0.00 -0.52 0.00 0.00 55.73 55.58 1jri s ARG 65 Cb -0.03 -3.18 -0.03 0.00 0.52 0.00 0.00 34.95 32.23 1jri s ARG 65 CO -0.06 0.68 0.09 1.28 0.02 0.00 0.00 175.30 177.31 1jri n LEU 66 N 1.68 0.09 0.00 2.53 4.77 -0.20 -4.97 117.00 120.90 1jri n LEU 66 Ca -0.14 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1jri n LEU 66 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1jri n LEU 66 CO 0.37 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1jri n GLY 67 N 1.39 2.78 3.65 -0.72 0.00 -1.17 -4.58 105.19 106.54 1jri n GLY 67 Ca 0.00 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1jri n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jri s THR 68 N 0.00 4.90 0.02 2.61 2.01 -1.26 -0.86 115.64 123.07 1jri s THR 68 Ca 0.00 1.46 0.03 0.00 0.31 0.00 0.00 61.69 63.49 1jri s THR 68 Cb 0.00 -4.07 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 1jri s THR 68 CO 0.00 0.00 -0.09 0.54 -0.69 0.00 0.00 174.62 174.39 1jri s VAL 69 N 2.41 0.68 -0.28 3.82 0.11 -0.25 -4.99 120.40 121.90 1jri s VAL 69 Ca 0.34 -0.76 -0.05 0.00 -2.93 0.00 0.00 61.98 58.58 1jri s VAL 69 Cb -0.16 -0.64 0.01 0.00 -1.53 0.00 0.00 36.38 34.06 1jri s VAL 69 CO 0.10 -0.09 0.03 -0.22 -3.33 0.00 0.00 175.10 171.58 1jri s LEU 70 N -0.93 3.58 -0.23 2.54 2.96 -1.26 -0.41 118.68 124.93 1jri s LEU 70 Ca -0.02 -0.76 -0.09 0.00 -0.22 0.00 0.00 54.13 53.04 1jri s LEU 70 Cb -0.07 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 1jri s LEU 70 CO 0.00 -0.16 0.11 -0.63 -1.32 0.00 0.00 176.35 174.35 1jri s ILE 71 N 1.43 4.95 -0.08 6.68 1.01 0.09 -4.98 121.20 130.31 1jri s ILE 71 Ca 0.02 0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 1jri s ILE 71 Cb -0.17 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 1jri s ILE 71 CO -0.00 0.37 1.33 -0.13 0.00 0.00 0.00 174.94 176.51 1jri s ARG 72 N 1.01 4.27 0.35 2.79 0.52 -1.26 -1.72 118.95 124.91 1jri s ARG 72 Ca 0.06 1.81 0.13 0.00 -0.52 0.00 0.00 55.73 57.20 1jri s ARG 72 Cb -0.14 -3.68 0.99 0.00 0.52 0.00 0.00 34.95 32.64 1jri s ARG 72 CO 0.04 -0.61 1.73 0.78 0.02 0.00 0.00 175.30 177.25 1jri h GLY 73 N 8.99 1.74 -0.30 -3.53 0.00 -1.71 -2.56 103.07 105.69 1jri h GLY 73 Ca -0.33 -0.27 0.32 0.00 0.00 0.00 0.00 47.33 47.05 1jri h GLY 73 CO 0.93 -0.26 0.80 -1.80 0.00 0.00 0.00 176.54 176.21 1jri h ASP 74 N 0.48 0.11 0.70 0.19 -0.00 -1.88 0.11 116.42 116.14 1jri h ASP 74 Ca 0.65 0.02 0.00 0.00 -0.00 0.00 0.00 57.03 57.71 1jri h ASP 74 Cb 1.41 0.01 0.00 0.00 -0.00 0.00 0.00 39.33 40.75 1jri h ASP 74 CO -0.45 0.02 -0.38 0.59 -0.00 0.00 0.00 179.24 179.02 1jri n ASN 75 N -4.31 0.41 -4.73 2.28 3.02 -0.97 -4.92 115.26 106.05 1jri n ASN 75 Ca 0.25 0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 54.40 1jri n ASN 75 Cb 1.15 0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 40.31 1jri n ASN 75 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jri s ILE 76 N -3.03 3.43 -0.19 2.41 1.01 0.39 -1.23 121.20 124.00 1jri s ILE 76 Ca 0.11 1.16 -0.16 0.00 0.00 0.00 0.00 60.65 61.75 1jri s ILE 76 Cb 0.17 -3.74 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 1jri s ILE 76 CO 0.66 0.16 -0.32 0.52 0.00 0.00 0.00 174.94 175.96 1jri n VAL 77 N 2.79 1.49 -3.92 2.92 0.31 0.30 -4.85 118.33 117.38 1jri n VAL 77 Ca 0.06 0.09 -0.08 0.00 -0.01 0.00 0.00 64.34 64.40 1jri n VAL 77 Cb 0.44 -2.30 -0.08 0.00 -0.91 0.00 0.00 33.84 30.99 1jri n VAL 77 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1jri s TYR 78 N -2.77 0.26 -0.01 3.52 -0.85 -1.03 -5.01 117.35 111.46 1jri s TYR 78 Ca -0.28 -0.71 0.05 0.00 -0.52 0.00 0.00 57.07 55.61 1jri s TYR 78 Cb 0.05 -0.14 -0.01 0.00 0.38 0.00 0.00 41.96 42.24 1jri s TYR 78 CO 0.41 -0.52 -0.16 0.42 -1.52 0.00 0.00 175.55 174.18 1jri s ILE 79 N -3.89 1.27 0.07 -3.49 1.01 -1.26 -0.76 121.20 114.15 1jri s ILE 79 Ca 0.07 -0.69 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 1jri s ILE 79 Cb 0.05 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.47 1jri s ILE 79 CO -0.10 0.36 0.25 -0.55 0.00 0.00 0.00 174.94 174.90 1jri s SER 80 N -0.39 -0.01 0.07 3.58 0.15 0.10 -4.95 113.70 112.26 1jri s SER 80 Ca 0.06 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1jri s SER 80 Cb -0.06 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1jri s SER 80 CO -0.01 -0.67 0.00 0.54 1.20 0.00 0.00 173.24 174.30 1jri n ARG 81 N 0.27 0.00 -0.06 5.44 1.74 -1.26 0.18 116.66 122.97 1jri n ARG 81 Ca -0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 1jri n ARG 81 Cb 0.61 -0.43 0.00 0.00 -1.02 0.00 0.00 32.46 31.62 1jri n ARG 81 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jri n GLY 82 N 3.01 0.00 0.87 -0.13 0.00 -1.26 -4.86 105.19 102.82 1jri n GLY 82 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1jri n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60