#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jri s ASN 10 N 0.00 6.50 0.00 4.52 3.84 -1.26 -4.89 114.94 123.65 1jri s ASN 10 Ca 0.00 0.11 0.00 0.00 0.21 0.00 0.00 52.86 53.18 1jri s ASN 10 Cb 0.00 -2.45 0.00 0.00 -0.55 0.00 0.00 41.25 38.25 1jri s ASN 10 CO 0.00 -1.05 0.87 1.33 -2.79 0.00 0.00 177.10 175.46 1jri n VAL 11 N 6.43 1.49 0.69 -5.21 0.24 -1.26 -1.16 118.33 119.55 1jri n VAL 11 Ca 0.06 0.38 0.07 0.00 -2.04 0.00 0.00 64.34 62.82 1jri n VAL 11 Cb 0.48 -1.38 -0.09 0.00 -1.47 0.00 0.00 33.84 31.38 1jri n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jri n GLN 12 N -1.37 1.75 -3.56 7.34 6.02 -1.26 -4.74 117.38 121.56 1jri n GLN 12 Ca 0.00 -0.01 -0.27 0.00 -0.01 0.00 0.00 57.00 56.71 1jri n GLN 12 Cb 0.01 -1.25 -0.09 0.00 1.02 0.00 0.00 30.24 29.93 1jri n GLN 12 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1jri n ARG 13 N -1.41 2.21 0.07 -1.09 1.74 -0.31 -4.93 116.66 112.93 1jri n ARG 13 Ca 0.03 -4.53 0.18 0.00 -0.77 0.00 0.00 57.85 52.75 1jri n ARG 13 Cb 0.25 -2.21 0.70 0.00 -1.02 0.00 0.00 32.46 30.18 1jri n ARG 13 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1jri h PRO 14 N 4.56 0.00 0.00 5.56 0.13 -1.85 0.07 132.00 140.46 1jri h PRO 14 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1jri h PRO 14 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1jri h PRO 14 CO 0.78 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.83 1jri n LEU 15 N -4.32 0.40 0.19 1.56 4.32 -1.26 -1.93 117.00 115.96 1jri n LEU 15 Ca 0.07 0.62 0.11 0.00 -0.02 0.00 0.00 56.01 56.79 1jri n LEU 15 Cb 0.50 -0.59 0.65 0.00 -1.62 0.00 0.00 43.42 42.36 1jri n LEU 15 CO 0.35 -0.54 1.10 0.44 -1.22 0.00 0.00 177.39 177.52 1jri h ASP 16 N 0.00 0.00 -0.63 -1.43 5.19 -1.35 -0.11 116.42 118.08 1jri h ASP 16 Ca 0.00 -0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 1jri h ASP 16 Cb 0.23 -0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.71 1jri h ASP 16 CO 0.00 0.00 0.22 0.00 -3.12 0.00 0.00 179.24 176.34 1jri h ALA 17 N 1.93 1.14 -0.60 3.45 0.00 -1.58 -1.39 119.26 122.21 1jri h ALA 17 Ca 0.07 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1jri h ALA 17 Cb 0.28 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1jri h ALA 17 CO -0.00 0.60 0.14 -0.07 0.00 0.00 0.00 179.25 179.91 1jri h LEU 18 N 0.97 0.91 -1.52 0.00 3.38 -1.21 -2.37 115.31 115.48 1jri h LEU 18 Ca 0.22 -0.24 0.11 0.00 0.09 0.00 0.00 57.88 58.06 1jri h LEU 18 Cb 0.25 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1jri h LEU 18 CO -0.01 0.92 0.47 1.23 0.09 0.00 0.00 178.44 181.13 1jri h GLY 19 N 0.87 0.78 2.00 0.83 0.00 -0.70 0.12 103.07 106.97 1jri h GLY 19 Ca 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1jri h GLY 19 CO 0.00 0.12 0.00 3.43 0.00 0.00 0.00 176.54 180.09 1jri h ASN 20 N 0.53 0.00 -0.03 0.19 -0.26 -0.79 -3.03 115.58 112.19 1jri h ASN 20 Ca 0.33 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.07 1jri h ASN 20 Cb 0.59 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.85 1jri h ASN 20 CO -0.11 0.00 0.00 -1.20 -1.06 0.00 0.00 177.43 175.06 1jri n SER 21 N -2.54 2.85 -4.59 5.81 7.64 0.40 -4.96 113.62 118.24 1jri n SER 21 Ca 0.03 -1.95 -0.48 0.00 1.01 0.00 0.00 58.87 57.48 1jri n SER 21 Cb 0.32 -0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.47 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 3.01 -0.26 -3.43 4.77 -1.11 -1.52 117.00 119.69 1jri n LEU 22 Ca 0.15 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.72 1jri n LEU 22 Cb 0.58 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 1jri n LEU 22 CO 0.15 -0.42 0.00 0.59 -1.33 0.00 0.00 177.39 176.38 1jri n ASN 23 N 8.96 -1.41 -4.14 -1.43 3.02 0.12 -5.01 115.26 115.37 1jri n ASN 23 Ca 0.30 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.76 1jri n ASN 23 Cb 0.32 -0.44 -0.10 0.00 -0.61 0.00 0.00 39.78 38.94 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 -2.88 0.43 0.08 6.41 0.01 -0.57 -4.91 113.70 112.26 1jri s SER 24 Ca 0.00 -1.16 -0.27 0.00 1.31 0.00 0.00 55.95 55.83 1jri s SER 24 Cb 0.00 0.26 -0.06 0.00 0.21 0.00 0.00 66.02 66.43 1jri s SER 24 CO 0.00 -0.69 0.86 -2.16 0.41 0.00 0.00 173.24 171.67 1jri s PRO 25 N -4.01 4.60 0.28 12.44 0.04 -1.26 -1.58 135.00 145.50 1jri s PRO 25 Ca 0.20 1.26 0.05 0.00 0.04 0.00 0.00 61.00 62.55 1jri s PRO 25 Cb 0.07 -3.37 -0.06 0.00 0.04 0.00 0.00 34.50 31.19 1jri s PRO 25 CO -0.01 0.24 -0.02 0.14 0.04 0.00 0.00 177.00 177.40 1jri s VAL 26 N -0.02 1.39 -0.19 -0.36 -7.23 -0.10 -1.38 120.40 112.52 1jri s VAL 26 Ca 0.43 -2.07 0.01 0.00 -1.81 0.00 0.00 61.98 58.54 1jri s VAL 26 Cb -0.22 -2.49 0.03 0.00 0.56 0.00 0.00 36.38 34.26 1jri s VAL 26 CO 0.26 -0.25 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.02 1jri s ILE 27 N -3.17 1.93 -0.24 -0.62 1.01 0.26 -2.81 121.20 117.57 1jri s ILE 27 Ca 0.30 -1.02 -0.10 0.00 0.00 0.00 0.00 60.65 59.84 1jri s ILE 27 Cb 0.05 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1jri s ILE 27 CO 0.12 0.37 0.13 -0.63 0.00 0.00 0.00 174.94 174.93 1jri s ILE 28 N 1.31 5.08 -0.24 2.92 -1.09 0.25 -0.37 121.20 129.06 1jri s ILE 28 Ca 0.02 0.08 -0.05 0.00 -2.23 0.00 0.00 60.65 58.47 1jri s ILE 28 Cb -0.15 -3.37 -0.01 0.00 -1.58 0.00 0.00 42.46 37.36 1jri s ILE 28 CO -0.10 0.35 0.01 -0.75 -1.23 0.00 0.00 174.94 173.21 1jri s LYS 29 N 1.16 3.35 0.50 2.79 2.47 0.02 -0.70 119.74 129.33 1jri s LYS 29 Ca 0.06 -0.66 0.06 0.00 -1.56 0.00 0.00 55.97 53.87 1jri s LYS 29 Cb -0.14 -3.16 0.04 0.00 -1.46 0.00 0.00 37.83 33.11 1jri s LYS 29 CO 0.05 -0.26 0.69 -0.51 0.16 0.00 0.00 175.35 175.48 1jri s LEU 30 N 1.51 3.42 0.53 5.43 1.43 -0.75 -0.04 118.68 130.21 1jri s LEU 30 Ca 0.05 -0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 52.60 1jri s LEU 30 Cb -0.15 -2.53 -0.06 0.00 0.03 0.00 0.00 46.19 43.48 1jri s LEU 30 CO -0.00 -1.04 1.14 -0.54 0.23 0.00 0.00 176.35 176.14 1jri s LYS 31 N -4.57 3.39 0.00 1.70 1.02 0.00 -2.10 119.74 119.18 1jri s LYS 31 Ca 0.57 1.64 0.00 0.00 0.02 0.00 0.00 55.97 58.21 1jri s LYS 31 Cb -0.09 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 1jri s LYS 31 CO 0.36 -0.82 0.00 0.41 -0.92 0.00 0.00 175.35 174.38 1jri n GLY 32 N 0.21 1.70 2.67 -3.33 0.00 -1.26 -4.01 105.19 101.17 1jri n GLY 32 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 -4.52 1.61 8.00 -0.89 -5.03 116.55 115.72 1jri n ASP 33 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 1jri n ASP 33 Cb 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.26 1jri n ASP 33 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1jri n ARG 34 N -2.00 -0.76 -3.77 -1.24 5.12 -1.26 -4.73 116.66 108.03 1jri n ARG 34 Ca 0.00 -0.17 -0.13 0.00 -1.93 0.00 0.00 57.85 55.62 1jri n ARG 34 Cb 0.00 -2.10 -0.12 0.00 -1.16 0.00 0.00 32.46 29.08 1jri n ARG 34 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1jri s GLU 35 N -4.14 0.25 0.16 5.56 2.12 -1.26 -1.81 118.70 119.59 1jri s GLU 35 Ca 0.63 0.39 0.10 0.00 0.36 0.00 0.00 54.97 56.44 1jri s GLU 35 Cb -0.22 0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.19 1jri s GLU 35 CO 0.63 -0.07 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.99 1jri s PHE 36 N 0.46 2.12 -0.01 5.30 0.40 0.12 -0.29 117.98 126.08 1jri s PHE 36 Ca -0.03 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.91 1jri s PHE 36 Cb -0.04 -1.09 0.01 0.00 0.51 0.00 0.00 43.02 42.41 1jri s PHE 36 CO -0.02 0.38 -0.01 1.03 0.70 0.00 0.00 175.22 177.30 1jri s ARG 37 N -2.44 0.14 -0.04 0.44 0.52 -0.62 -0.58 118.95 116.37 1jri s ARG 37 Ca 0.16 -0.00 -0.12 0.00 -0.52 0.00 0.00 55.73 55.24 1jri s ARG 37 Cb -0.08 -0.21 0.04 0.00 0.52 0.00 0.00 34.95 35.22 1jri s ARG 37 CO 0.07 -0.02 0.55 0.41 0.02 0.00 0.00 175.30 176.34 1jri n GLY 38 N 3.39 0.29 3.69 -3.53 0.00 -1.12 -0.87 105.19 107.04 1jri n GLY 38 Ca -0.17 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.02 5.37 -0.08 1.61 1.01 -0.67 -0.92 120.40 124.70 1jri s VAL 39 Ca 0.13 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.06 1jri s VAL 39 Cb -0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1jri s VAL 39 CO -0.01 0.38 1.45 -0.22 0.00 0.00 0.00 175.10 176.70 1jri s LEU 40 N 0.75 4.27 -0.13 3.92 2.96 -0.62 -0.90 118.68 128.95 1jri s LEU 40 Ca 0.09 2.01 0.14 0.00 -0.22 0.00 0.00 54.13 56.15 1jri s LEU 40 Cb -0.13 -3.54 -0.19 0.00 0.50 0.00 0.00 46.19 42.83 1jri s LEU 40 CO 0.02 -0.81 0.10 0.29 -1.32 0.00 0.00 176.35 174.63 1jri n LYS 41 N 6.43 1.41 -3.61 1.98 4.76 0.38 0.15 118.16 129.67 1jri n LYS 41 Ca 0.15 -0.03 -0.01 0.00 -2.87 0.00 0.00 58.31 55.55 1jri n LYS 41 Cb 0.44 -1.38 -0.01 0.00 -1.84 0.00 0.00 35.03 32.23 1jri n LYS 41 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1jri s SER 42 N -4.67 -0.07 0.22 4.39 1.04 -1.23 -4.85 113.70 108.52 1jri s SER 42 Ca -0.07 -0.05 -0.21 0.00 0.48 0.00 0.00 55.95 56.10 1jri s SER 42 Cb 0.05 0.11 0.04 0.00 0.10 0.00 0.00 66.02 66.32 1jri s SER 42 CO 0.62 -0.20 0.64 0.72 0.98 0.00 0.00 173.24 176.00 1jri s PHE 43 N -2.31 -0.28 0.48 5.02 -0.71 -1.26 -1.32 117.98 117.60 1jri s PHE 43 Ca 0.12 -0.07 0.02 0.00 -1.04 0.00 0.00 56.93 55.96 1jri s PHE 43 Cb 0.02 0.59 -0.01 0.00 -1.21 0.00 0.00 43.02 42.40 1jri s PHE 43 CO -0.04 -1.04 0.06 0.16 -1.34 0.00 0.00 175.22 173.01 1jri s ASP 44 N -2.86 3.64 0.46 1.98 1.47 -0.93 -4.95 116.67 115.49 1jri s ASP 44 Ca 0.08 -1.69 0.30 0.00 1.18 0.00 0.00 52.55 52.42 1jri s ASP 44 Cb -0.03 0.59 1.65 0.00 -0.34 0.00 0.00 42.92 44.78 1jri s ASP 44 CO -0.01 -0.92 1.92 0.17 0.68 0.00 0.00 175.17 177.01 1jri h LEU 45 N 1.49 0.00 -1.85 2.11 -0.00 -2.03 0.25 115.31 115.27 1jri h LEU 45 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.48 1jri h LEU 45 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.96 1jri h LEU 45 CO 0.66 0.00 0.00 1.41 -0.00 0.00 0.00 178.44 180.51 1jri n HIS 46 N -2.58 0.47 -1.93 0.17 8.25 -1.26 -4.92 115.22 113.42 1jri n HIS 46 Ca -0.02 -0.24 -0.15 0.00 -0.26 0.00 0.00 57.72 57.05 1jri n HIS 46 Cb 0.07 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.15 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 1.02 -1.15 -2.53 -0.41 2.81 0.88 -4.09 117.12 113.65 1jri n MET 47 Ca 0.18 0.87 -0.38 0.00 -1.81 0.00 0.00 57.70 56.56 1jri n MET 47 Cb 0.48 -5.13 -0.04 0.00 -0.71 0.00 0.00 33.22 27.81 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 -2.54 6.97 0.18 7.83 0.01 -1.26 -2.89 114.94 123.24 1jri s ASN 48 Ca 0.00 2.11 -0.11 0.00 -0.71 0.00 0.00 52.86 54.15 1jri s ASN 48 Cb 0.00 -2.60 -0.00 0.00 0.41 0.00 0.00 41.25 39.06 1jri s ASN 48 CO 0.00 -0.35 0.35 -1.48 -1.51 0.00 0.00 177.10 174.12 1jri s LEU 49 N -2.18 0.72 -0.06 0.60 0.05 0.08 -2.18 118.68 115.71 1jri s LEU 49 Ca 0.53 -0.79 0.05 0.00 0.05 0.00 0.00 54.13 53.96 1jri s LEU 49 Cb -0.25 1.44 -0.02 0.00 -2.05 0.00 0.00 46.19 45.31 1jri s LEU 49 CO 0.32 -0.95 -0.20 -0.69 -0.55 0.00 0.00 176.35 174.28 1jri s VAL 50 N -3.95 2.48 -0.02 1.48 1.01 -0.43 -0.63 120.40 120.33 1jri s VAL 50 Ca 0.16 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.27 1jri s VAL 50 Cb 0.02 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 1jri s VAL 50 CO 0.00 0.57 -0.17 -0.76 0.00 0.00 0.00 175.10 174.74 1jri s LEU 51 N -0.26 2.00 0.08 3.92 1.43 -0.29 -0.47 118.68 125.10 1jri s LEU 51 Ca 0.00 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1jri s LEU 51 Cb -0.13 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 45.18 1jri s LEU 51 CO 0.03 0.19 0.22 0.20 0.23 0.00 0.00 176.35 177.22 1jri s ASN 52 N -0.30 6.30 -1.48 2.29 0.01 -0.08 -0.84 114.94 120.84 1jri s ASN 52 Ca 0.04 0.23 -0.03 0.00 -0.71 0.00 0.00 52.86 52.40 1jri s ASN 52 Cb -0.07 -1.92 0.02 0.00 0.41 0.00 0.00 41.25 39.69 1jri s ASN 52 CO -0.00 0.15 0.38 0.47 -1.51 0.00 0.00 177.10 176.58 1jri n ASP 53 N 0.14 -0.41 -4.88 -1.22 8.00 -1.24 -1.67 116.55 115.27 1jri n ASP 53 Ca -0.06 -1.07 -0.30 0.00 0.71 0.00 0.00 54.79 54.08 1jri n ASP 53 Cb 0.52 -2.70 -0.00 0.00 -0.02 0.00 0.00 41.12 38.91 1jri n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jri s ALA 54 N -3.96 3.18 -0.16 2.24 0.00 -0.68 -4.57 121.76 117.81 1jri s ALA 54 Ca 0.10 -0.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.76 1jri s ALA 54 Cb -0.05 -2.94 0.04 0.00 0.00 0.00 0.00 23.12 20.17 1jri s ALA 54 CO 0.92 -0.51 0.42 -1.83 0.00 0.00 0.00 175.76 174.76 1jri s GLU 55 N -4.85 0.48 -0.25 0.00 -1.05 -0.05 -1.63 118.70 111.35 1jri s GLU 55 Ca 0.53 0.61 -0.16 0.00 -0.15 0.00 0.00 54.97 55.80 1jri s GLU 55 Cb -0.11 0.21 -0.03 0.00 -0.44 0.00 0.00 34.13 33.76 1jri s GLU 55 CO 0.48 -0.07 0.44 -2.00 0.95 0.00 0.00 175.26 175.06 1jri s GLU 56 N 0.34 4.07 0.40 -4.83 2.12 0.36 -1.59 118.70 119.57 1jri s GLU 56 Ca -0.01 0.20 0.04 0.00 0.36 0.00 0.00 54.97 55.56 1jri s GLU 56 Cb -0.03 -3.63 -0.00 0.00 0.26 0.00 0.00 34.13 30.72 1jri s GLU 56 CO -0.01 -0.27 0.57 -0.51 -0.54 0.00 0.00 175.26 174.51 1jri s LEU 57 N 2.04 3.77 -0.11 2.70 1.02 0.60 -0.39 118.68 128.31 1jri s LEU 57 Ca 0.19 -0.05 -0.04 0.00 0.02 0.00 0.00 54.13 54.24 1jri s LEU 57 Cb -0.16 -2.88 0.06 0.00 0.02 0.00 0.00 46.19 43.23 1jri s LEU 57 CO 0.09 -0.62 0.21 -0.70 0.02 0.00 0.00 176.35 175.35 1jri s GLU 58 N -4.37 0.09 -1.55 1.70 2.56 -0.03 -4.05 118.70 113.05 1jri s GLU 58 Ca 0.48 0.64 -0.19 0.00 0.00 0.00 0.00 54.97 55.90 1jri s GLU 58 Cb -0.10 -0.19 0.19 0.00 2.00 0.00 0.00 34.13 36.03 1jri s GLU 58 CO 0.34 -0.31 0.51 -0.25 -0.56 0.00 0.00 175.26 174.99 1jri n ASP 59 N 5.34 -1.80 0.00 -1.70 8.00 -1.26 0.16 116.55 125.28 1jri n ASP 59 Ca -0.05 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.52 1jri n ASP 59 Cb 0.50 -1.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.01 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 -0.98 0.91 3.21 0.44 0.00 -1.26 -5.04 105.19 102.47 1jri n GLY 60 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.54 2.86 0.16 1.61 2.02 0.43 -5.08 118.70 120.16 1jri s GLU 61 Ca 0.00 -0.97 -0.34 0.00 0.02 0.00 0.00 54.97 53.69 1jri s GLU 61 Cb 0.00 -3.02 -0.14 0.00 0.10 0.00 0.00 34.13 31.07 1jri s GLU 61 CO 0.00 -0.40 1.56 0.28 0.02 0.00 0.00 175.26 176.72 1jri n VAL 62 N 4.68 0.05 -0.80 2.63 0.31 -1.26 -0.85 118.33 123.10 1jri n VAL 62 Ca -0.16 -0.01 0.03 0.00 -0.01 0.00 0.00 64.34 64.18 1jri n VAL 62 Cb 0.47 -1.51 0.04 0.00 -0.91 0.00 0.00 33.84 31.92 1jri n VAL 62 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1jri n THR 63 N 3.31 0.85 -3.65 2.52 -2.24 0.48 -4.87 114.28 110.68 1jri n THR 63 Ca 0.17 -0.95 -0.03 0.00 -2.27 0.00 0.00 64.05 60.97 1jri n THR 63 Cb 0.29 0.42 -0.07 0.00 -2.10 0.00 0.00 70.33 68.87 1jri n THR 63 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1jri s ARG 64 N -1.11 0.20 -0.32 -0.78 6.06 -1.15 -4.94 118.95 116.91 1jri s ARG 64 Ca 0.08 0.27 0.01 0.00 -2.50 0.00 0.00 55.73 53.60 1jri s ARG 64 Cb 0.07 0.07 0.08 0.00 0.06 0.00 0.00 34.95 35.23 1jri s ARG 64 CO 0.01 -0.03 0.01 1.03 -2.50 0.00 0.00 175.30 173.82 1jri s ARG 65 N 0.54 2.00 0.00 5.12 0.52 -1.26 -0.48 118.95 125.38 1jri s ARG 65 Ca -0.00 -1.57 0.25 0.00 -0.52 0.00 0.00 55.73 53.89 1jri s ARG 65 Cb -0.04 -3.16 0.50 0.00 0.52 0.00 0.00 34.95 32.77 1jri s ARG 65 CO -0.12 -0.77 1.41 1.28 0.02 0.00 0.00 175.30 177.11 1jri n LEU 66 N 4.44 1.64 0.00 2.53 4.77 -0.64 -4.98 117.00 124.74 1jri n LEU 66 Ca -0.06 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 1jri n LEU 66 Cb 0.42 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1jri n LEU 66 CO 0.24 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1jri n GLY 67 N 1.34 2.58 3.72 -0.72 0.00 -1.07 -4.46 105.19 106.57 1jri n GLY 67 Ca 0.13 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 3.00 0.00 2.61 2.01 -1.26 -1.69 115.64 120.32 1jri s THR 68 Ca 0.00 0.73 -0.08 0.00 0.31 0.00 0.00 61.69 62.66 1jri s THR 68 Cb 0.00 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 69.04 1jri s THR 68 CO 0.00 0.06 0.15 0.54 -0.69 0.00 0.00 174.62 174.68 1jri s VAL 69 N 0.98 0.08 -0.28 3.82 0.11 -0.02 -4.98 120.40 120.11 1jri s VAL 69 Ca 0.66 -0.67 -0.06 0.00 -2.93 0.00 0.00 61.98 58.98 1jri s VAL 69 Cb -0.40 -0.44 0.01 0.00 -1.53 0.00 0.00 36.38 34.02 1jri s VAL 69 CO 0.32 -0.37 0.06 -0.22 -3.33 0.00 0.00 175.10 171.56 1jri s LEU 70 N -1.35 3.69 -0.21 2.54 0.20 -1.26 -1.13 118.68 121.15 1jri s LEU 70 Ca -0.14 -0.68 -0.07 0.00 0.69 0.00 0.00 54.13 53.92 1jri s LEU 70 Cb -0.07 -1.85 -0.04 0.00 -0.43 0.00 0.00 46.19 43.80 1jri s LEU 70 CO 0.02 -0.16 0.07 -0.63 -0.29 0.00 0.00 176.35 175.35 1jri s ILE 71 N 1.48 4.62 -0.14 6.68 1.01 0.19 -4.95 121.20 130.10 1jri s ILE 71 Ca 0.03 -0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.30 1jri s ILE 71 Cb -0.17 -3.11 -0.02 0.00 0.01 0.00 0.00 42.46 39.17 1jri s ILE 71 CO 0.01 0.41 1.20 -0.13 0.00 0.00 0.00 174.94 176.43 1jri s ARG 72 N 0.87 4.28 0.42 2.79 0.52 -1.26 -0.74 118.95 125.83 1jri s ARG 72 Ca 0.04 1.61 0.20 0.00 -0.52 0.00 0.00 55.73 57.06 1jri s ARG 72 Cb -0.14 -3.67 1.14 0.00 0.52 0.00 0.00 34.95 32.80 1jri s ARG 72 CO 0.02 -0.60 1.80 0.78 0.02 0.00 0.00 175.30 177.33 1jri h GLY 73 N 9.13 1.00 -1.08 -3.53 0.00 -1.68 -2.07 103.07 104.84 1jri h GLY 73 Ca -0.28 -0.18 0.44 0.00 0.00 0.00 0.00 47.33 47.31 1jri h GLY 73 CO 0.94 -0.09 1.08 -1.80 0.00 0.00 0.00 176.54 176.67 1jri h ASP 74 N 0.36 0.05 0.37 0.19 3.58 -1.86 0.56 116.42 119.66 1jri h ASP 74 Ca 0.56 0.02 0.00 0.00 0.42 0.00 0.00 57.03 58.02 1jri h ASP 74 Cb 1.48 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.55 1jri h ASP 74 CO -0.23 -0.01 -0.62 0.59 -2.88 0.00 0.00 179.24 176.08 1jri n ASN 75 N -4.15 0.64 -4.75 2.28 3.02 -0.78 -4.93 115.26 106.59 1jri n ASN 75 Ca 0.34 -0.45 -0.41 0.00 -0.03 0.00 0.00 54.58 54.03 1jri n ASN 75 Cb 1.56 0.43 -0.04 0.00 -0.61 0.00 0.00 39.78 41.13 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 -2.99 3.43 -0.23 2.41 1.01 0.19 -0.82 121.20 124.22 1jri s ILE 76 Ca 0.11 1.33 -0.04 0.00 0.00 0.00 0.00 60.65 62.05 1jri s ILE 76 Cb 0.17 -3.85 -0.13 0.00 0.01 0.00 0.00 42.46 38.67 1jri s ILE 76 CO 0.74 0.27 -0.24 0.52 0.00 0.00 0.00 174.94 176.23 1jri n VAL 77 N 1.72 1.28 -3.62 2.92 0.31 0.94 -4.83 118.33 117.06 1jri n VAL 77 Ca 0.01 -0.42 -0.09 0.00 -0.01 0.00 0.00 64.34 63.83 1jri n VAL 77 Cb 0.44 -1.51 -0.02 0.00 -0.91 0.00 0.00 33.84 31.84 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 -2.44 -0.35 -0.05 3.52 -0.85 -0.99 -5.02 117.35 111.16 1jri s TYR 78 Ca -0.31 0.05 -0.00 0.00 -0.52 0.00 0.00 57.07 56.29 1jri s TYR 78 Cb 0.10 0.62 0.03 0.00 0.38 0.00 0.00 41.96 43.08 1jri s TYR 78 CO 0.47 -0.96 -0.01 0.42 -1.52 0.00 0.00 175.55 173.95 1jri s ILE 79 N -3.70 0.35 0.31 -3.49 1.01 -1.26 -0.80 121.20 113.62 1jri s ILE 79 Ca 0.06 0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.80 1jri s ILE 79 Cb -0.03 -0.45 -0.06 0.00 0.01 0.00 0.00 42.46 41.93 1jri s ILE 79 CO -0.04 0.21 0.02 -0.44 0.00 0.00 0.00 174.94 174.69 1jri s SER 80 N 1.36 2.49 0.62 3.58 0.01 0.50 -4.93 113.70 117.33 1jri s SER 80 Ca -0.05 -1.32 -0.14 0.00 1.31 0.00 0.00 55.95 55.76 1jri s SER 80 Cb -0.13 -0.11 -0.03 0.00 0.21 0.00 0.00 66.02 65.96 1jri s SER 80 CO -0.02 -0.53 1.04 -0.13 0.41 0.00 0.00 173.24 174.02 1jri s ARG 81 N -3.84 3.30 0.00 12.44 0.52 -1.26 0.93 118.95 131.03 1jri s ARG 81 Ca 0.34 1.03 0.00 0.00 -0.52 0.00 0.00 55.73 56.58 1jri s ARG 81 Cb 0.07 -2.04 0.00 0.00 0.52 0.00 0.00 34.95 33.51 1jri s ARG 81 CO 0.14 -0.81 0.46 0.41 0.02 0.00 0.00 175.30 175.51